# Li–Si phases

> Li–Si system: 14 phases (tier A 5, tier C 6, liquid 1, needs_review 2); 11 stable in a calculated diagram in the ORCHID phase registry, with names, structure type when the stored evidence supports an assignment under the stated tier rules, calculated stability, verbatim TDB PHASE/CONSTITUENT statements and example references.

HTML: https://data.orchid-project.org/phases/pages/LI-SI.html · Markdown: https://data.orchid-project.org/phases/pages/LI-SI.md

14 phases (tier A 5, tier C 6, liquid 1, needs_review 2); 11 stable in a calculated diagram. Structure types are assigned only when the stored evidence supports an assignment under the stated tier rules (tier A: standard phase name; tier B: unique Materials Project + OQMD on-hull match, DFT-supported; tier C: one structure stated by the assessment's crystallographic table, assessor-stated); other phases list candidates and are marked needs_review. Stability is from phase diagrams calculated with pycalphad from the SGTE binary collection (evidence class: model).

Data: [interactive registry](https://orchid-project.org/phases/?q=LI-SI) · [full JSON](https://data.orchid-project.org/phases/systems/LI-SI.json) · [Li–Si system page](https://data.orchid-project.org/systems/LI-SI.html) · [Markdown](https://data.orchid-project.org/phases/pages/LI-SI.md) · [field reference](https://data.orchid-project.org/phases/SCHEMA.md)

Table: Phases of the Li–Si system (14)

| Phase | Structure | Basis | Stability (calculated) | Literature values | TDB models |
|---|---|---|---|---:|---:|
| [DIAMOND_A4](#phase-li-si-a4-diamond); _phase:li-si:a4-diamond_ | C (diamond) · A4 · cF8 · Fd-3m (227) | tier A: standard phase name | stable in 3 of 3 calculated diagram(s): 300–2499.5 K, x(Si) 0.99848–1 | 15 | 3 |
| [BCC_A2](#phase-li-si-bcc-a2); _phase:li-si:bcc-a2_ | W · A2 · cI2 · Im-3m (229) | tier A: standard phase name | stable in 3 of 3 calculated diagram(s): 300–453.57 K, x(Si) 0–0 | 5 | 3 |
| [FCC_A1](#phase-li-si-fcc-a1); _phase:li-si:fcc-a1_ | Cu · A1 · cF4 · Fm-3m (225) | tier A: standard phase name | not stable in 3 calculated diagram(s) | 0 | 3 |
| [HCP_A3](#phase-li-si-hcp-a3); _phase:li-si:hcp-a3_ | Mg · A3 · hP2 · P6_3/mmc (194) | tier A: standard phase name | not stable in 3 calculated diagram(s) | 0 | 3 |
| [LI12SI7](#phase-li-si-li12si7); _phase:li-si:li12si7_ | Li12Si7 · oP152 · Pnma (62) | tier C: assessor-stated (Hallstedt 2025 crystallographic table) | stable in 3 of 3 calculated diagram(s): 300–924.75 K, x(Si) 0.36842–0.36842 | 24 | 3 |
| [LI13SI4](#phase-li-si-li13si4); _phase:li-si:li13si4_ |  | needs_review | stable in 3 of 3 calculated diagram(s): 300–1005.27 K, x(Si) 0.23529–0.23529 | 31 | 3 |
| [LI15SI4_D86](#phase-li-si-li15si4-d86); _phase:li-si:li15si4-d86_ | Cu15Si4 · D8_6 · cI76 · I-43d (220) | tier A: standard phase name | not stable in 1 calculated diagram(s) | 1 | 1 |
| [LI17SI4](#phase-li-si-li17si4); _phase:li-si:li17si4_ | Li17Si4 · cF420 · F-43m (216) | tier C: assessor-stated (Hallstedt 2025 crystallographic table) | stable in 2 of 2 calculated diagram(s): 300–803.64 K, x(Si) 0.19048–0.19048 | 13 | 2 |
| [LI21SI5](#phase-li-si-li21si5); _phase:li-si:li21si5_ |  | needs_review | stable in 2 of 2 calculated diagram(s): 730.94–893.07 K, x(Si) 0.19231–0.19589 | 5 | 2 |
| [LI22SI5](#phase-li-si-li22si5); _phase:li-si:li22si5_ | Li21Si5 · cF416 · F-43m (216) | tier C: assessor-stated (Hallstedt 2025 crystallographic table) | stable in 1 of 1 calculated diagram(s): 300–956.72 K, x(Si) 0.18519–0.18519 | 8 | 1 |
| [LI33SI8](#phase-li-si-li33si8); _phase:li-si:li33si8_ | Li33Si8 · mP82 · Pm (6) | tier C: assessor-stated (Hallstedt 2025 crystallographic table) | stable in 1 of 1 calculated diagram(s): 300–902.17 K, x(Si) 0.19512–0.19512 | 0 | 1 |
| [LI7SI3](#phase-li-si-li7si3); _phase:li-si:li7si3_ | Li7Si3 · hP60 · P3_212 (153) | tier C: assessor-stated (Hallstedt 2025 crystallographic table) | stable in 3 of 3 calculated diagram(s): 300–1026.82 K, x(Si) 0.3–0.3 | 19 | 3 |
| [LIQUID](#phase-li-si-liquid); _phase:li-si:liquid_ | liquid | liquid | stable in 3 of 3 calculated diagram(s): 453.55–2500 K, x(Si) 0–1 | 89 | 3 |
| [LISI](#phase-li-si-lisi); _phase:li-si:lisi_ | GeLi · tI32 · I4_1/a (88) | tier C: assessor-stated (Hallstedt 2025 crystallographic table) | stable in 2 of 2 calculated diagram(s): 300–757.19 K, x(Si) 0.5–0.5 | 7 | 2 |

## DIAMOND_A4 (Li–Si)

- Id: `phase:li-si:a4-diamond`; status `assigned`
- Structure: C (diamond) · A4 · cF8 · Fd-3m (227); type `st:a4-c-diamond-cf8`; tier A: standard phase name; confidence high
- Stability: stable in 3 of 3 calculated diagram(s): 300–2499.5 K, x(Si) 0.99848–1
- Literature: 15 values (15 accepted) from 1 papers
- Interactive: [phase registry entry](https://orchid-project.org/phases/#phase:li-si:a4-diamond)

Names (6): _corpus: _corpus:phase:li-si:a4-diamond, corpus:phase:li-si:diamond-a4  
_paper: _paper:10.1016/j.intermet.2017.02.024:(Si)  
_tdb: _tdb:LiSi-13Wan.tdb:DIAMOND_A4, tdb:LiSi-14Bra.tdb:DIAMOND_A4, tdb:LiSi-17Lia.tdb:DIAMOND_A4  


### TDB models of DIAMOND_A4 (3): PHASE and CONSTITUENT statements as written

[LiSi-13Wan.tdb](https://orchid-project.org/data/databases/sgte-binary/LiSi-13Wan.tdb): DIAMOND_A4, type code %, sha256 `229cd983628a68f9…`

~~~~text
45: PHASE DIAMOND_A4 % 1 1 !
46: CONST DIAMOND_A4 : SI : !
~~~~

[LiSi-14Bra.tdb](https://orchid-project.org/data/databases/sgte-binary/LiSi-14Bra.tdb): DIAMOND_A4, type code %, sha256 `d53f1691e81929b4…`

~~~~text
45: PHASE DIAMOND_A4 % 1 1 !
46: CONST DIAMOND_A4 : SI : !
~~~~

[LiSi-17Lia.tdb](https://orchid-project.org/data/databases/sgte-binary/LiSi-17Lia.tdb): DIAMOND_A4, type code %, sha256 `47ff6e5cea85ffdd…`

~~~~text
45: PHASE DIAMOND_A4 % 1 1 !
46: CONST DIAMOND_A4 : LI SI% : !
~~~~

Example references (6 of 6; assessments first): 

- [doi:10.1016/j.intermet.2017.02.024](https://doi.org/10.1016/j.intermet.2017.02.024) Song-Mao Liang, Franziska Taubert, Artem Kozlov, Jürgen Seidel, Florian Mertens, Rainer Schmid-Fetzer, Thermodynamics of Li-Si and Li-Si-H phase diagrams applied to hydrogen absorption and Li-ion batteries, Intermetallics 81, 32-46 (2017).  
_assessment that models this phase; reports values for this phase_
- [doi:10.1016/j.jallcom.2014.06.212](https://doi.org/10.1016/j.jallcom.2014.06.212) M. Helena Braga, Adam Dębski, Władysław Gąsior, Li–Si phase diagram: Enthalpy of mixing, thermodynamic stability, and coherent assessment, Journal of Alloys and Compounds 616, 581-593 (2014).  
_assessment that models this phase; cited as the source of values for this phase_
- [doi:10.1016/j.intermet.2013.06.003](https://doi.org/10.1016/j.intermet.2013.06.003) Peisheng Wang, Artem Kozlov, Daniel Thomas, Florian Mertens, Rainer Schmid-Fetzer, Thermodynamic analysis of the Li–Si phase equilibria from 0 K to liquidus temperatures, Intermetallics 42, 137-145 (2013).  
_assessment that models this phase; cited as the source of values for this phase_
- [doi:10.1002/anie.199314421](https://doi.org/10.1002/anie.199314421) Jürgen Evers, Gilbert Oehlinger, Gerhard Sextl, High‐Pressure Synthesis of LiSi: Three‐Dimensional Network of Three‐Bonded Si\<sup>−\</sup> Ions, Angew. Chem. Int. Ed. Engl. 32, 1442-1444 (1993).  
_cited as the source of values for this phase_
- [doi:10.1149/1.2132692](https://doi.org/10.1149/1.2132692) Ram A. Sharma, Randall N. Seefurth, Thermodynamic Properties of the Lithium‐Silicon System, J. Electrochem. Soc. 123, 1763-1768 (1976).  
_cited as the source of values for this phase_
- [doi:10.1149/2.089308jes](https://doi.org/10.1149/2.089308jes) Wan Si Tang, Jean-Noël Chotard, Raphaël Janot, Synthesis of Single-Phase LiSi by Ball-Milling: Electrochemical Behavior and Hydrogenation Properties, J. Electrochem. Soc. 160, A1232-A1240 (2013).  
_cited as the source of values for this phase_

## BCC_A2 (Li–Si)

- Id: `phase:li-si:bcc-a2`; status `assigned`
- Structure: W · A2 · cI2 · Im-3m (229); type `st:a2-w-ci2`; tier A: standard phase name; confidence high
- Stability: stable in 3 of 3 calculated diagram(s): 300–453.57 K, x(Si) 0–0
- Literature: 5 values (5 accepted) from 2 papers
- Interactive: [phase registry entry](https://orchid-project.org/phases/#phase:li-si:bcc-a2)

Names (6): _corpus: _corpus:phase:li-si:bcc-a2  
_paper: _paper:10.1016/j.intermet.2013.06.003:(Li), paper:10.1016/j.intermet.2017.02.024:(Li)  
_tdb: _tdb:LiSi-13Wan.tdb:BCC_A2, tdb:LiSi-14Bra.tdb:BCC_A2, tdb:LiSi-17Lia.tdb:BCC_A2  


### TDB models of BCC_A2 (3): PHASE and CONSTITUENT statements as written

[LiSi-13Wan.tdb](https://orchid-project.org/data/databases/sgte-binary/LiSi-13Wan.tdb): BCC_A2, type code %B, sha256 `229cd983628a68f9…`

~~~~text
35: PHASE BCC_A2 %B 2 1 3 !
36: CONST BCC_A2 : LI% SI : VA : !
~~~~

[LiSi-14Bra.tdb](https://orchid-project.org/data/databases/sgte-binary/LiSi-14Bra.tdb): BCC_A2, type code %B, sha256 `d53f1691e81929b4…`

~~~~text
35: PHASE BCC_A2 %B 2 1 3 !
36: CONST BCC_A2 : LI% SI : VA : !
~~~~

[LiSi-17Lia.tdb](https://orchid-project.org/data/databases/sgte-binary/LiSi-17Lia.tdb): BCC_A2, type code %B, sha256 `47ff6e5cea85ffdd…`

~~~~text
35: PHASE BCC_A2 %B 2 1 3 !
36: CONST BCC_A2 : LI% SI : VA : !
~~~~

Example references (3 of 3; assessments first): 

- [doi:10.1016/j.intermet.2013.06.003](https://doi.org/10.1016/j.intermet.2013.06.003) Peisheng Wang, Artem Kozlov, Daniel Thomas, Florian Mertens, Rainer Schmid-Fetzer, Thermodynamic analysis of the Li–Si phase equilibria from 0 K to liquidus temperatures, Intermetallics 42, 137-145 (2013).  
_assessment that models this phase; cited as the source of values for this phase; reports values for this phase_
- [doi:10.1016/j.intermet.2017.02.024](https://doi.org/10.1016/j.intermet.2017.02.024) Song-Mao Liang, Franziska Taubert, Artem Kozlov, Jürgen Seidel, Florian Mertens, Rainer Schmid-Fetzer, Thermodynamics of Li-Si and Li-Si-H phase diagrams applied to hydrogen absorption and Li-ion batteries, Intermetallics 81, 32-46 (2017).  
_assessment that models this phase; reports values for this phase_
- [doi:10.1016/j.jallcom.2014.06.212](https://doi.org/10.1016/j.jallcom.2014.06.212) M. Helena Braga, Adam Dębski, Władysław Gąsior, Li–Si phase diagram: Enthalpy of mixing, thermodynamic stability, and coherent assessment, Journal of Alloys and Compounds 616, 581-593 (2014).  
_assessment that models this phase; cited as the source of values for this phase_

## FCC_A1 (Li–Si)

- Id: `phase:li-si:fcc-a1`; status `assigned`
- Structure: Cu · A1 · cF4 · Fm-3m (225); type `st:a1-cu-cf4`; tier A: standard phase name; confidence high
- Stability: not stable in 3 calculated diagram(s)
- Literature: 0 values (0 accepted) from 0 papers
- Interactive: [phase registry entry](https://orchid-project.org/phases/#phase:li-si:fcc-a1)

Names (4): _corpus: _corpus:phase:li-si:fcc-a1  
_tdb: _tdb:LiSi-13Wan.tdb:FCC_A1, tdb:LiSi-14Bra.tdb:FCC_A1, tdb:LiSi-17Lia.tdb:FCC_A1  


### TDB models of FCC_A1 (3): PHASE and CONSTITUENT statements as written

[LiSi-13Wan.tdb](https://orchid-project.org/data/databases/sgte-binary/LiSi-13Wan.tdb): FCC_A1, type code %A, sha256 `229cd983628a68f9…`

~~~~text
30: PHASE FCC_A1 %A 2 1 1 !
31: CONST FCC_A1 : LI SI : VA : !
~~~~

[LiSi-14Bra.tdb](https://orchid-project.org/data/databases/sgte-binary/LiSi-14Bra.tdb): FCC_A1, type code %A, sha256 `d53f1691e81929b4…`

~~~~text
30: PHASE FCC_A1 %A 2 1 1 !
31: CONST FCC_A1 : LI SI : VA : !
~~~~

[LiSi-17Lia.tdb](https://orchid-project.org/data/databases/sgte-binary/LiSi-17Lia.tdb): FCC_A1, type code %A, sha256 `47ff6e5cea85ffdd…`

~~~~text
30: PHASE FCC_A1 %A 2 1 1 !
31: CONST FCC_A1 : LI SI : VA : !
~~~~

Example references (3 of 3; assessments first): 

- [doi:10.1016/j.intermet.2013.06.003](https://doi.org/10.1016/j.intermet.2013.06.003) Peisheng Wang, Artem Kozlov, Daniel Thomas, Florian Mertens, Rainer Schmid-Fetzer, Thermodynamic analysis of the Li–Si phase equilibria from 0 K to liquidus temperatures, Intermetallics 42, 137-145 (2013).  
_assessment that models this phase_
- [doi:10.1016/j.intermet.2017.02.024](https://doi.org/10.1016/j.intermet.2017.02.024) Song-Mao Liang, Franziska Taubert, Artem Kozlov, Jürgen Seidel, Florian Mertens, Rainer Schmid-Fetzer, Thermodynamics of Li-Si and Li-Si-H phase diagrams applied to hydrogen absorption and Li-ion batteries, Intermetallics 81, 32-46 (2017).  
_assessment that models this phase_
- [doi:10.1016/j.jallcom.2014.06.212](https://doi.org/10.1016/j.jallcom.2014.06.212) M. Helena Braga, Adam Dębski, Władysław Gąsior, Li–Si phase diagram: Enthalpy of mixing, thermodynamic stability, and coherent assessment, Journal of Alloys and Compounds 616, 581-593 (2014).  
_assessment that models this phase_

## HCP_A3 (Li–Si)

- Id: `phase:li-si:hcp-a3`; status `assigned`
- Structure: Mg · A3 · hP2 · P6_3/mmc (194); type `st:a3-mg-hp2`; tier A: standard phase name; confidence high
- Stability: not stable in 3 calculated diagram(s)
- Literature: 0 values (0 accepted) from 0 papers
- Interactive: [phase registry entry](https://orchid-project.org/phases/#phase:li-si:hcp-a3)

Names (4): _corpus: _corpus:phase:li-si:hcp-a3  
_tdb: _tdb:LiSi-13Wan.tdb:HCP_A3, tdb:LiSi-14Bra.tdb:HCP_A3, tdb:LiSi-17Lia.tdb:HCP_A3  


### TDB models of HCP_A3 (3): PHASE and CONSTITUENT statements as written

[LiSi-13Wan.tdb](https://orchid-project.org/data/databases/sgte-binary/LiSi-13Wan.tdb): HCP_A3, type code %, sha256 `229cd983628a68f9…`

~~~~text
40: PHASE HCP_A3 % 2 1 0.5 !
41: CONST HCP_A3 : LI SI : VA : !
~~~~

[LiSi-14Bra.tdb](https://orchid-project.org/data/databases/sgte-binary/LiSi-14Bra.tdb): HCP_A3, type code %, sha256 `d53f1691e81929b4…`

~~~~text
40: PHASE HCP_A3 % 2 1 0.5 !
41: CONST HCP_A3 : LI SI : VA : !
~~~~

[LiSi-17Lia.tdb](https://orchid-project.org/data/databases/sgte-binary/LiSi-17Lia.tdb): HCP_A3, type code %, sha256 `47ff6e5cea85ffdd…`

~~~~text
40: PHASE HCP_A3 % 2 1 0.5 !
41: CONST HCP_A3 : LI SI : VA : !
~~~~

Example references (3 of 3; assessments first): 

- [doi:10.1016/j.intermet.2013.06.003](https://doi.org/10.1016/j.intermet.2013.06.003) Peisheng Wang, Artem Kozlov, Daniel Thomas, Florian Mertens, Rainer Schmid-Fetzer, Thermodynamic analysis of the Li–Si phase equilibria from 0 K to liquidus temperatures, Intermetallics 42, 137-145 (2013).  
_assessment that models this phase_
- [doi:10.1016/j.intermet.2017.02.024](https://doi.org/10.1016/j.intermet.2017.02.024) Song-Mao Liang, Franziska Taubert, Artem Kozlov, Jürgen Seidel, Florian Mertens, Rainer Schmid-Fetzer, Thermodynamics of Li-Si and Li-Si-H phase diagrams applied to hydrogen absorption and Li-ion batteries, Intermetallics 81, 32-46 (2017).  
_assessment that models this phase_
- [doi:10.1016/j.jallcom.2014.06.212](https://doi.org/10.1016/j.jallcom.2014.06.212) M. Helena Braga, Adam Dębski, Władysław Gąsior, Li–Si phase diagram: Enthalpy of mixing, thermodynamic stability, and coherent assessment, Journal of Alloys and Compounds 616, 581-593 (2014).  
_assessment that models this phase_

## LI12SI7 (Li–Si)

- Id: `phase:li-si:li12si7`; status `assigned`
- Structure: Li12Si7 · oP152 · Pnma (62); type `st:li12si7-op152`; tier C: assessor-stated (Hallstedt 2025 crystallographic table); confidence assessor-stated
- Structure source: B. Hallstedt, The SGTE collection of binary datasets, Calphad 89 (2025) 102833, supplementary crystallographic table (mmc2) [doi:10.1016/j.calphad.2025.102833](https://doi.org/10.1016/j.calphad.2025.102833)
- Caveat: not certain from the name or DFT alone (no_on_hull_entry_in_both, no_structure_token); structure as stated in the SGTE crystallographic table for this phase name and system
- Stoichiometry: Li 0.6316, Si 0.3684
- Stability: stable in 3 of 3 calculated diagram(s): 300–924.75 K, x(Si) 0.36842–0.36842
- Literature: 24 values (24 accepted) from 3 papers
- Interactive: [phase registry entry](https://orchid-project.org/phases/#phase:li-si:li12si7)

Names (7): _corpus: _corpus:phase:li-si:li12si7  
_paper: _paper:10.1016/j.intermet.2013.06.003:L12Si7, paper:10.1016/j.intermet.2017.02.024:Li12Si7, paper:10.1016/j.jallcom.2018.07.211:Li12Si7  
_tdb: _tdb:LiSi-13Wan.tdb:LI12SI7, tdb:LiSi-14Bra.tdb:LI12SI7, tdb:LiSi-17Lia.tdb:LI12SI7  


### TDB models of LI12SI7 (3): PHASE and CONSTITUENT statements as written

[LiSi-13Wan.tdb](https://orchid-project.org/data/databases/sgte-binary/LiSi-13Wan.tdb): LI12SI7, type code %, sha256 `229cd983628a68f9…`

~~~~text
65: PHASE LI12SI7 % 2 12 7 !
66: CONST LI12SI7 : LI : SI : !
~~~~

[LiSi-14Bra.tdb](https://orchid-project.org/data/databases/sgte-binary/LiSi-14Bra.tdb): LI12SI7, type code %, sha256 `d53f1691e81929b4…`

~~~~text
75: PHASE LI12SI7 % 2 12 7 !
76: CONST LI12SI7 : LI : SI : !
~~~~

[LiSi-17Lia.tdb](https://orchid-project.org/data/databases/sgte-binary/LiSi-17Lia.tdb): LI12SI7, type code %, sha256 `47ff6e5cea85ffdd…`

~~~~text
75: PHASE LI12SI7 % 2 12 7 !
76: CONST LI12SI7 : LI : SI : !
~~~~

Example references (9 of 9; assessments first): 

- [doi:10.1016/j.intermet.2017.02.024](https://doi.org/10.1016/j.intermet.2017.02.024) Song-Mao Liang, Franziska Taubert, Artem Kozlov, Jürgen Seidel, Florian Mertens, Rainer Schmid-Fetzer, Thermodynamics of Li-Si and Li-Si-H phase diagrams applied to hydrogen absorption and Li-ion batteries, Intermetallics 81, 32-46 (2017).  
_assessment that models this phase; reports values for this phase_
- [doi:10.1016/j.jallcom.2014.06.212](https://doi.org/10.1016/j.jallcom.2014.06.212) M. Helena Braga, Adam Dębski, Władysław Gąsior, Li–Si phase diagram: Enthalpy of mixing, thermodynamic stability, and coherent assessment, Journal of Alloys and Compounds 616, 581-593 (2014).  
_assessment that models this phase; cited as the source of values for this phase_
- [doi:10.1016/j.intermet.2013.06.003](https://doi.org/10.1016/j.intermet.2013.06.003) Peisheng Wang, Artem Kozlov, Daniel Thomas, Florian Mertens, Rainer Schmid-Fetzer, Thermodynamic analysis of the Li–Si phase equilibria from 0 K to liquidus temperatures, Intermetallics 42, 137-145 (2013).  
_assessment that models this phase; cited as the source of values for this phase; reports values for this phase_
- [doi:10.1002/cber.19861191207](https://doi.org/10.1002/cber.19861191207) Reinhard Nesper, Hans Georg von Schnering, Jan Curda, Li\<sub>12\</sub>Si\<sub>7\</sub>, eine Verbindung mit trigonal‐planaren Si\<sub>4\</sub>‐Clustern und isometrischen Si\<sub>5\</sub>‐Ringen, Chem. Ber. 119, 3576-3590 (1986).  
_cited as the source of values for this phase_
- [doi:10.1007/bf03029305](https://doi.org/10.1007/bf03029305) H. Okamoto, The LieSi (LithiumeSilicon) system, Bull. Alloy Phase Diagr. 11 (1990) 306e312.  
_cited as the source of values for this phase_
- [doi:10.1016/j.calphad.2015.06.007](https://doi.org/10.1016/j.calphad.2015.06.007) Z.H. Long, C.H. Tang, J. Ding, J. Gong, F.C. Yin, Z.P. Jin, Experimental investigation and thermodynamic description of the LieSieNi ternary system, Calphad 51 (2015) 13e23.  
_cited as the source of values for this phase_
- [doi:10.1016/j.jallcom.2018.07.211](https://doi.org/10.1016/j.jallcom.2018.07.211) Zhaohui Long, Xiaorong Dai, Zhi Li, Fucheng Yin, Zhanpeng Jin, Experimental investigation and thermodynamic description of the Li–Si–Mn ternary system, Journal of Alloys and Compounds 768, 686-696 (2018).  
_reports values for this phase_
- [doi:10.1002/anie.199314421](https://doi.org/10.1002/anie.199314421) Jürgen Evers, Gilbert Oehlinger, Gerhard Sextl, High‐Pressure Synthesis of LiSi: Three‐Dimensional Network of Three‐Bonded Si\<sup>−\</sup> Ions, Angew. Chem. Int. Ed. Engl. 32, 1442-1444 (1993).  
_cited as the source of values for this phase_
- [doi:10.1149/2.089308jes](https://doi.org/10.1149/2.089308jes) Wan Si Tang, Jean-Noël Chotard, Raphaël Janot, Synthesis of Single-Phase LiSi by Ball-Milling: Electrochemical Behavior and Hydrogenation Properties, J. Electrochem. Soc. 160, A1232-A1240 (2013).  
_cited as the source of values for this phase_

## LI13SI4 (Li–Si)

- Id: `phase:li-si:li13si4`; status `needs_review`
- No structure assigned. Why: assessment_declared_blocked_by:sgte_mmc2_row_disagrees_with_dft; dft_space_group_55_matches_0_structure_types; no_structure_token; sgte_mmc2_row_disagrees_with_dft
- Candidate (dft_mp): Pbam (55) — on-hull MP Li13Si4 at x(SI)=0.2353
- Candidate (dft_oqmd): Pbam (55) — on-hull OQMD Li13 Si4 at x(SI)=0.2353
- Candidate (literature_printed): Li13Si4 · mP34 — printed with a label mapped to this phase
- Candidate (sgte_mmc2): Li13Si4 · mP34 · Pm (6) — Hallstedt 2025 mmc2 row for LI13SI4: Li13Si4
- Candidate (tdb_comment): Li13Si4 · mP34 · Pm — LiSi-13Wan.tdb: 'Prototype Li13Si4 (mP34, Pm)'
- Candidate (tdb_comment): Li13Si4 · mP34 · Pm — LiSi-14Bra.tdb: 'Prototype Li13Si4 (mP34, Pm)'
- Candidate (tdb_comment): Li13Si4 · mP34 · Pm — LiSi-17Lia.tdb: 'Prototype Li13Si4 (mP34, Pm)'
- Stoichiometry: Li 0.7647, Si 0.2353
- Stability: stable in 3 of 3 calculated diagram(s): 300–1005.27 K, x(Si) 0.23529–0.23529
- Literature: 31 values (31 accepted) from 3 papers
- Interactive: [phase registry entry](https://orchid-project.org/phases/#phase:li-si:li13si4)

Names (8): _corpus: _corpus:phase:li-si:li13si4  
_paper: _paper:10.1016/j.intermet.2013.06.003:L13Si4, paper:10.1016/j.intermet.2013.06.003:Li13Si4, paper:10.1016/j.intermet.2017.02.024:Li13Si4, paper:10.1016/j.jallcom.2018.07.211:Li13Si4  
_tdb: _tdb:LiSi-13Wan.tdb:LI13SI4, tdb:LiSi-14Bra.tdb:LI13SI4, tdb:LiSi-17Lia.tdb:LI13SI4  


### TDB models of LI13SI4 (3): PHASE and CONSTITUENT statements as written

[LiSi-13Wan.tdb](https://orchid-project.org/data/databases/sgte-binary/LiSi-13Wan.tdb): LI13SI4, type code %, sha256 `229cd983628a68f9…`

~~~~text
55: PHASE LI13SI4 % 2 13 4 !
56: CONST LI13SI4 : LI : SI : !
~~~~

[LiSi-14Bra.tdb](https://orchid-project.org/data/databases/sgte-binary/LiSi-14Bra.tdb): LI13SI4, type code %, sha256 `d53f1691e81929b4…`

~~~~text
65: PHASE LI13SI4 % 2 13 4 !
66: CONST LI13SI4 : LI : SI : !
~~~~

[LiSi-17Lia.tdb](https://orchid-project.org/data/databases/sgte-binary/LiSi-17Lia.tdb): LI13SI4, type code %, sha256 `47ff6e5cea85ffdd…`

~~~~text
65: PHASE LI13SI4 % 2 13 4 !
66: CONST LI13SI4 : LI : SI : !
~~~~

Example references (9 of 9; assessments first): 

- [doi:10.1016/j.intermet.2017.02.024](https://doi.org/10.1016/j.intermet.2017.02.024) Song-Mao Liang, Franziska Taubert, Artem Kozlov, Jürgen Seidel, Florian Mertens, Rainer Schmid-Fetzer, Thermodynamics of Li-Si and Li-Si-H phase diagrams applied to hydrogen absorption and Li-ion batteries, Intermetallics 81, 32-46 (2017).  
_assessment that models this phase; reports values for this phase_
- [doi:10.1016/j.intermet.2013.06.003](https://doi.org/10.1016/j.intermet.2013.06.003) Peisheng Wang, Artem Kozlov, Daniel Thomas, Florian Mertens, Rainer Schmid-Fetzer, Thermodynamic analysis of the Li–Si phase equilibria from 0 K to liquidus temperatures, Intermetallics 42, 137-145 (2013).  
_assessment that models this phase; cited as the source of values for this phase; reports values for this phase_
- [doi:10.1016/j.jallcom.2014.06.212](https://doi.org/10.1016/j.jallcom.2014.06.212) M. Helena Braga, Adam Dębski, Władysław Gąsior, Li–Si phase diagram: Enthalpy of mixing, thermodynamic stability, and coherent assessment, Journal of Alloys and Compounds 616, 581-593 (2014).  
_assessment that models this phase; cited as the source of values for this phase_
- [doi:10.1021/cm400612k](https://doi.org/10.1021/cm400612k) Michael Zeilinger, Daryn Benson, Ulrich Häussermann, Thomas F. Fässler, Single Crystal Growth and Thermodynamic Stability of Li\<sub>17\</sub>Si\<sub>4\</sub>, Chem. Mater. 25, 1960-1967 (2013).  
_cited as the source of values for this phase_
- [doi:10.1007/bf03029305](https://doi.org/10.1007/bf03029305) H. Okamoto, The LieSi (LithiumeSilicon) system, Bull. Alloy Phase Diagr. 11 (1990) 306e312.  
_cited as the source of values for this phase_
- [doi:10.1016/j.calphad.2015.06.007](https://doi.org/10.1016/j.calphad.2015.06.007) Z.H. Long, C.H. Tang, J. Ding, J. Gong, F.C. Yin, Z.P. Jin, Experimental investigation and thermodynamic description of the LieSieNi ternary system, Calphad 51 (2015) 13e23.  
_cited as the source of values for this phase_
- [doi:10.1016/j.jallcom.2018.07.211](https://doi.org/10.1016/j.jallcom.2018.07.211) Zhaohui Long, Xiaorong Dai, Zhi Li, Fucheng Yin, Zhanpeng Jin, Experimental investigation and thermodynamic description of the Li–Si–Mn ternary system, Journal of Alloys and Compounds 768, 686-696 (2018).  
_reports values for this phase_
- [doi:10.1515/znb-1975-1-204](https://doi.org/10.1515/znb-1975-1-204) Ursula Frank, Wiking Müller, Herbert Schäfer, Zur Kenntnis der Phase Li\<sub>13\</sub>Si\<sub>4\</sub> / On the Phase Li\<sub>13\</sub>Si\<sub>4\</sub>, Zeitschrift für Naturforschung B 30, 10-13 (1975).  
_cited as the source of values for this phase_
- [doi:10.1016/j.jct.2015.01.004](https://doi.org/10.1016/j.jct.2015.01.004) Daniel Thomas, Michael Zeilinger, Daniel Gruner, Regina Hüttl, Jürgen Seidel, Anja U.B. Wolter et al., The heat capacity and entropy of the lithium silicides Li17Si4 and Li16.42Si4 in the temperature range from (2 to 873) K, The Journal of Chemical Thermodynamics 85, 178-190 (2015).  
_cited as the source of values for this phase_

## LI15SI4_D86 (Li–Si)

- Id: `phase:li-si:li15si4-d86`; status `assigned`
- Structure: Cu15Si4 · D8_6 · cI76 · I-43d (220); type `st:d8-6-cu15si4-ci76`; tier A: standard phase name; confidence high
- Stoichiometry: Li 0.7895, Si 0.2105
- Stability: not stable in 1 calculated diagram(s)
- Literature: 1 values (1 accepted) from 1 papers
- Interactive: [phase registry entry](https://orchid-project.org/phases/#phase:li-si:li15si4-d86)

Names (3): _corpus: _corpus:phase:li-si:li15si4-d86  
_paper: _paper:10.1016/j.intermet.2017.02.024:Li15Si4  
_tdb: _tdb:LiSi-17Lia.tdb:LI15SI4_D86  


### TDB models of LI15SI4_D86 (1): PHASE and CONSTITUENT statements as written

[LiSi-17Lia.tdb](https://orchid-project.org/data/databases/sgte-binary/LiSi-17Lia.tdb): LI15SI4_D86, type code %, sha256 `47ff6e5cea85ffdd…`

~~~~text
60: PHASE LI15SI4_D86 % 2 15 4 !
61: CONST LI15SI4_D86 : LI : SI : !
~~~~

Example references (2 of 2; assessments first): 

- [doi:10.1016/j.intermet.2017.02.024](https://doi.org/10.1016/j.intermet.2017.02.024) Song-Mao Liang, Franziska Taubert, Artem Kozlov, Jürgen Seidel, Florian Mertens, Rainer Schmid-Fetzer, Thermodynamics of Li-Si and Li-Si-H phase diagrams applied to hydrogen absorption and Li-ion batteries, Intermetallics 81, 32-46 (2017).  
_assessment that models this phase; reports values for this phase_
- [doi:10.1149/1.2132692](https://doi.org/10.1149/1.2132692) Ram A. Sharma, Randall N. Seefurth, Thermodynamic Properties of the Lithium‐Silicon System, J. Electrochem. Soc. 123, 1763-1768 (1976).  
_cited as the source of values for this phase_

## LI17SI4 (Li–Si)

- Id: `phase:li-si:li17si4`; status `assigned`
- Structure: Li17Si4 · cF420 · F-43m (216); type `st:li17si4-cf420`; tier C: assessor-stated (Hallstedt 2025 crystallographic table); confidence assessor-stated
- Structure source: B. Hallstedt, The SGTE collection of binary datasets, Calphad 89 (2025) 102833, supplementary crystallographic table (mmc2) [doi:10.1016/j.calphad.2025.102833](https://doi.org/10.1016/j.calphad.2025.102833)
- Caveat: not certain from the name or DFT alone (no_on_hull_entry_in_mp, no_structure_token); structure as stated in the SGTE crystallographic table for this phase name and system
- Stoichiometry: Li 0.8095, Si 0.1905
- Stability: stable in 2 of 2 calculated diagram(s): 300–803.64 K, x(Si) 0.19048–0.19048
- Literature: 13 values (13 accepted) from 1 papers
- Interactive: [phase registry entry](https://orchid-project.org/phases/#phase:li-si:li17si4)

Names (4): _corpus: _corpus:phase:li-si:li17si4  
_paper: _paper:10.1016/j.intermet.2017.02.024:Li17Si4  
_tdb: _tdb:LiSi-14Bra.tdb:LI17SI4, tdb:LiSi-17Lia.tdb:LI17SI4  


### TDB models of LI17SI4 (2): PHASE and CONSTITUENT statements as written

[LiSi-14Bra.tdb](https://orchid-project.org/data/databases/sgte-binary/LiSi-14Bra.tdb): LI17SI4, type code %, sha256 `d53f1691e81929b4…`

~~~~text
50: PHASE LI17SI4 % 2 17 4 !
51: CONST LI17SI4 : LI : SI : !
~~~~

[LiSi-17Lia.tdb](https://orchid-project.org/data/databases/sgte-binary/LiSi-17Lia.tdb): LI17SI4, type code %, sha256 `47ff6e5cea85ffdd…`

~~~~text
50: PHASE LI17SI4 % 2 17 4 !
51: CONST LI17SI4 : LI : SI : !
~~~~

Example references (4 of 4; assessments first): 

- [doi:10.1016/j.intermet.2017.02.024](https://doi.org/10.1016/j.intermet.2017.02.024) Song-Mao Liang, Franziska Taubert, Artem Kozlov, Jürgen Seidel, Florian Mertens, Rainer Schmid-Fetzer, Thermodynamics of Li-Si and Li-Si-H phase diagrams applied to hydrogen absorption and Li-ion batteries, Intermetallics 81, 32-46 (2017).  
_assessment that models this phase; reports values for this phase_
- [doi:10.1016/j.jallcom.2014.06.212](https://doi.org/10.1016/j.jallcom.2014.06.212) M. Helena Braga, Adam Dębski, Władysław Gąsior, Li–Si phase diagram: Enthalpy of mixing, thermodynamic stability, and coherent assessment, Journal of Alloys and Compounds 616, 581-593 (2014).  
_assessment that models this phase; cited as the source of values for this phase_
- [doi:10.1021/cm400612k](https://doi.org/10.1021/cm400612k) Michael Zeilinger, Daryn Benson, Ulrich Häussermann, Thomas F. Fässler, Single Crystal Growth and Thermodynamic Stability of Li\<sub>17\</sub>Si\<sub>4\</sub>, Chem. Mater. 25, 1960-1967 (2013).  
_cited as the source of values for this phase_
- [doi:10.1016/j.jct.2015.01.004](https://doi.org/10.1016/j.jct.2015.01.004) Daniel Thomas, Michael Zeilinger, Daniel Gruner, Regina Hüttl, Jürgen Seidel, Anja U.B. Wolter et al., The heat capacity and entropy of the lithium silicides Li17Si4 and Li16.42Si4 in the temperature range from (2 to 873) K, The Journal of Chemical Thermodynamics 85, 178-190 (2015).  
_cited as the source of values for this phase_

## LI21SI5 (Li–Si)

- Id: `phase:li-si:li21si5`; status `needs_review`
- No structure assigned. Why: assessment_declared_blocked_by:models_disagree_on_composition; models_disagree_on_composition; no_structure_token
- Candidate (literature_printed): Li21Si5 · cF416 — printed with a label mapped to this phase
- Candidate (sgte_mmc2): Li21Si5 · cF416 · F-43m (216) — Hallstedt 2025 mmc2 row for LI21SI5: Li21Si5
- Candidate (tdb_comment): Li21Si5 · cF416 · F-43m — LiSi-14Bra.tdb: 'Prototype Li21Si5 (cF416, F-43m)'
- Candidate (tdb_comment): Li21Si5 · cF416 · F-43m — LiSi-17Lia.tdb: 'Prototype Li21Si5 (cF416, F-43m)'
- Stability: stable in 2 of 2 calculated diagram(s): 730.94–893.07 K, x(Si) 0.19231–0.19589
- Literature: 5 values (5 accepted) from 1 papers
- Interactive: [phase registry entry](https://orchid-project.org/phases/#phase:li-si:li21si5)

Names (5): _corpus: _corpus:phase:li-si:li21si5  
_paper: _paper:10.1016/j.intermet.2017.02.024:Li21Si5, paper:10.1016/j.intermet.2017.02.024:Li21Si5 (?)  
_tdb: _tdb:LiSi-14Bra.tdb:LI21SI5, tdb:LiSi-17Lia.tdb:LI21SI5  


### TDB models of LI21SI5 (2): PHASE and CONSTITUENT statements as written

[LiSi-14Bra.tdb](https://orchid-project.org/data/databases/sgte-binary/LiSi-14Bra.tdb): LI21SI5, type code %, sha256 `d53f1691e81929b4…`

~~~~text
55: PHASE LI21SI5 % 2 21 5 !
56: CONST LI21SI5 : LI : SI : !
~~~~

[LiSi-17Lia.tdb](https://orchid-project.org/data/databases/sgte-binary/LiSi-17Lia.tdb): LI21SI5, type code %, sha256 `47ff6e5cea85ffdd…`

~~~~text
55: PHASE LI21SI5 % 2 16.42 4 !
56: CONST LI21SI5 : LI : SI : !
~~~~

Example references (3 of 3; assessments first): 

- [doi:10.1016/j.intermet.2017.02.024](https://doi.org/10.1016/j.intermet.2017.02.024) Song-Mao Liang, Franziska Taubert, Artem Kozlov, Jürgen Seidel, Florian Mertens, Rainer Schmid-Fetzer, Thermodynamics of Li-Si and Li-Si-H phase diagrams applied to hydrogen absorption and Li-ion batteries, Intermetallics 81, 32-46 (2017).  
_assessment that models this phase; reports values for this phase_
- [doi:10.1016/j.jallcom.2014.06.212](https://doi.org/10.1016/j.jallcom.2014.06.212) M. Helena Braga, Adam Dębski, Władysław Gąsior, Li–Si phase diagram: Enthalpy of mixing, thermodynamic stability, and coherent assessment, Journal of Alloys and Compounds 616, 581-593 (2014).  
_assessment that models this phase; cited as the source of values for this phase_
- [doi:10.1016/0022-4596(87)90176-9](https://doi.org/10.1016/0022-4596%2887%2990176-9) Reinhard Nesper, Hans Georg von Schnering, Li21Si5, a Zintl phase as well as a Hume-Rothery phase, Journal of Solid State Chemistry 70, 48-57 (1987).  
_cited as the source of values for this phase_

## LI22SI5 (Li–Si)

- Id: `phase:li-si:li22si5`; status `assigned`
- Structure: Li21Si5 · cF416 · F-43m (216); type `st:li21si5-cf416`; tier C: assessor-stated (Hallstedt 2025 crystallographic table); confidence assessor-stated
- Structure source: B. Hallstedt, The SGTE collection of binary datasets, Calphad 89 (2025) 102833, supplementary crystallographic table (mmc2) [doi:10.1016/j.calphad.2025.102833](https://doi.org/10.1016/j.calphad.2025.102833)
- Caveat: not certain from the name or DFT alone (no_on_hull_entry_in_both, no_structure_token); structure as stated in the SGTE crystallographic table for this phase name and system
- Stoichiometry: Li 0.8148, Si 0.1852
- Stability: stable in 1 of 1 calculated diagram(s): 300–956.72 K, x(Si) 0.18519–0.18519
- Literature: 8 values (8 accepted) from 3 papers
- Interactive: [phase registry entry](https://orchid-project.org/phases/#phase:li-si:li22si5)

Names (5): _corpus: _corpus:phase:li-si:li22si5  
_paper: _paper:10.1016/j.intermet.2013.06.003:L22Si5, paper:10.1016/j.intermet.2017.02.024:Li22Si5, paper:10.1016/j.jallcom.2018.07.211:Li22Si5  
_tdb: _tdb:LiSi-13Wan.tdb:LI22SI5  


### TDB models of LI22SI5 (1): PHASE and CONSTITUENT statements as written

[LiSi-13Wan.tdb](https://orchid-project.org/data/databases/sgte-binary/LiSi-13Wan.tdb): LI22SI5, type code %, sha256 `229cd983628a68f9…`

~~~~text
50: PHASE LI22SI5 % 2 22 5 !
51: CONST LI22SI5 : LI : SI : !
~~~~

Example references (7 of 7; assessments first): 

- [doi:10.1016/j.intermet.2013.06.003](https://doi.org/10.1016/j.intermet.2013.06.003) Peisheng Wang, Artem Kozlov, Daniel Thomas, Florian Mertens, Rainer Schmid-Fetzer, Thermodynamic analysis of the Li–Si phase equilibria from 0 K to liquidus temperatures, Intermetallics 42, 137-145 (2013).  
_assessment that models this phase; cited as the source of values for this phase; reports values for this phase_
- [doi:10.1016/j.intermet.2017.02.024](https://doi.org/10.1016/j.intermet.2017.02.024) Song-Mao Liang, Franziska Taubert, Artem Kozlov, Jürgen Seidel, Florian Mertens, Rainer Schmid-Fetzer, Thermodynamics of Li-Si and Li-Si-H phase diagrams applied to hydrogen absorption and Li-ion batteries, Intermetallics 81, 32-46 (2017).  
_reports values for this phase_
- [doi:10.1007/bf03029305](https://doi.org/10.1007/bf03029305) H. Okamoto, The LieSi (LithiumeSilicon) system, Bull. Alloy Phase Diagr. 11 (1990) 306e312.  
_cited as the source of values for this phase_
- [doi:10.1016/j.calphad.2015.06.007](https://doi.org/10.1016/j.calphad.2015.06.007) Z.H. Long, C.H. Tang, J. Ding, J. Gong, F.C. Yin, Z.P. Jin, Experimental investigation and thermodynamic description of the LieSieNi ternary system, Calphad 51 (2015) 13e23.  
_cited as the source of values for this phase_
- [doi:10.1016/j.jallcom.2018.07.211](https://doi.org/10.1016/j.jallcom.2018.07.211) Zhaohui Long, Xiaorong Dai, Zhi Li, Fucheng Yin, Zhanpeng Jin, Experimental investigation and thermodynamic description of the Li–Si–Mn ternary system, Journal of Alloys and Compounds 768, 686-696 (2018).  
_reports values for this phase_
- [doi:10.1149/1.2132692](https://doi.org/10.1149/1.2132692) Ram A. Sharma, Randall N. Seefurth, Thermodynamic Properties of the Lithium‐Silicon System, J. Electrochem. Soc. 123, 1763-1768 (1976).  
_cited as the source of values for this phase_
- [doi:10.1515/znb-1966-0204](https://doi.org/10.1515/znb-1966-0204) H. Axel, Herbert Schäfer, Armin Weiss, Zur Kenntnis der Phase Li\<sub>22\</sub>Si\<sub>5\</sub>, Zeitschrift für Naturforschung B 21, 115-117 (1966).  
_cited as the source of values for this phase_

## LI33SI8 (Li–Si)

- Id: `phase:li-si:li33si8`; status `assigned`
- Structure: Li33Si8 · mP82 · Pm (6); type `st:li33si8-mp82`; tier C: assessor-stated (Hallstedt 2025 crystallographic table); confidence assessor-stated
- Structure source: B. Hallstedt, The SGTE collection of binary datasets, Calphad 89 (2025) 102833, supplementary crystallographic table (mmc2) [doi:10.1016/j.calphad.2025.102833](https://doi.org/10.1016/j.calphad.2025.102833)
- Caveat: not certain from the name or DFT alone (no_on_hull_entry_in_both, no_structure_token); structure as stated in the SGTE crystallographic table for this phase name and system
- Stoichiometry: Li 0.8049, Si 0.1951
- Stability: stable in 1 of 1 calculated diagram(s): 300–902.17 K, x(Si) 0.19512–0.19512
- Literature: 0 values (0 accepted) from 0 papers
- Interactive: [phase registry entry](https://orchid-project.org/phases/#phase:li-si:li33si8)

Names (2): _corpus: _corpus:phase:li-si:li33si8  
_tdb: _tdb:LiSi-14Bra.tdb:LI33SI8  


### TDB models of LI33SI8 (1): PHASE and CONSTITUENT statements as written

[LiSi-14Bra.tdb](https://orchid-project.org/data/databases/sgte-binary/LiSi-14Bra.tdb): LI33SI8, type code %, sha256 `d53f1691e81929b4…`

~~~~text
60: PHASE LI33SI8 % 2 33 8 !
61: CONST LI33SI8 : LI : SI : !
~~~~

Example references (1 of 1; assessments first): 

- [doi:10.1016/j.jallcom.2014.06.212](https://doi.org/10.1016/j.jallcom.2014.06.212) M. Helena Braga, Adam Dębski, Władysław Gąsior, Li–Si phase diagram: Enthalpy of mixing, thermodynamic stability, and coherent assessment, Journal of Alloys and Compounds 616, 581-593 (2014).  
_assessment that models this phase_

## LI7SI3 (Li–Si)

- Id: `phase:li-si:li7si3`; status `assigned`
- Structure: Li7Si3 · hP60 · P3_212 (153); type `st:li7si3-hp60`; tier C: assessor-stated (Hallstedt 2025 crystallographic table); confidence assessor-stated
- Structure source: B. Hallstedt, The SGTE collection of binary datasets, Calphad 89 (2025) 102833, supplementary crystallographic table (mmc2) [doi:10.1016/j.calphad.2025.102833](https://doi.org/10.1016/j.calphad.2025.102833)
- Caveat: not certain from the name or DFT alone (no_on_hull_entry_in_oqmd, no_structure_token); structure as stated in the SGTE crystallographic table for this phase name and system
- Stoichiometry: Li 0.7000, Si 0.3000
- Stability: stable in 3 of 3 calculated diagram(s): 300–1026.82 K, x(Si) 0.3–0.3
- Literature: 19 values (19 accepted) from 3 papers
- Interactive: [phase registry entry](https://orchid-project.org/phases/#phase:li-si:li7si3)

Names (7): _corpus: _corpus:phase:li-si:li7si3  
_paper: _paper:10.1016/j.intermet.2013.06.003:Li7Si3, paper:10.1016/j.intermet.2017.02.024:Li7Si3, paper:10.1016/j.jallcom.2018.07.211:Li7Si3  
_tdb: _tdb:LiSi-13Wan.tdb:LI7SI3, tdb:LiSi-14Bra.tdb:LI7SI3, tdb:LiSi-17Lia.tdb:LI7SI3  


### TDB models of LI7SI3 (3): PHASE and CONSTITUENT statements as written

[LiSi-13Wan.tdb](https://orchid-project.org/data/databases/sgte-binary/LiSi-13Wan.tdb): LI7SI3, type code %, sha256 `229cd983628a68f9…`

~~~~text
60: PHASE LI7SI3 % 2 7 3 !
61: CONST LI7SI3 : LI : SI : !
~~~~

[LiSi-14Bra.tdb](https://orchid-project.org/data/databases/sgte-binary/LiSi-14Bra.tdb): LI7SI3, type code %, sha256 `d53f1691e81929b4…`

~~~~text
70: PHASE LI7SI3 % 2 7 3 !
71: CONST LI7SI3 : LI : SI : !
~~~~

[LiSi-17Lia.tdb](https://orchid-project.org/data/databases/sgte-binary/LiSi-17Lia.tdb): LI7SI3, type code %, sha256 `47ff6e5cea85ffdd…`

~~~~text
70: PHASE LI7SI3 % 2 7 3 !
71: CONST LI7SI3 : LI : SI : !
~~~~

Example references (6 of 6; assessments first): 

- [doi:10.1016/j.intermet.2017.02.024](https://doi.org/10.1016/j.intermet.2017.02.024) Song-Mao Liang, Franziska Taubert, Artem Kozlov, Jürgen Seidel, Florian Mertens, Rainer Schmid-Fetzer, Thermodynamics of Li-Si and Li-Si-H phase diagrams applied to hydrogen absorption and Li-ion batteries, Intermetallics 81, 32-46 (2017).  
_assessment that models this phase; reports values for this phase_
- [doi:10.1016/j.intermet.2013.06.003](https://doi.org/10.1016/j.intermet.2013.06.003) Peisheng Wang, Artem Kozlov, Daniel Thomas, Florian Mertens, Rainer Schmid-Fetzer, Thermodynamic analysis of the Li–Si phase equilibria from 0 K to liquidus temperatures, Intermetallics 42, 137-145 (2013).  
_assessment that models this phase; cited as the source of values for this phase; reports values for this phase_
- [doi:10.1016/j.jallcom.2014.06.212](https://doi.org/10.1016/j.jallcom.2014.06.212) M. Helena Braga, Adam Dębski, Władysław Gąsior, Li–Si phase diagram: Enthalpy of mixing, thermodynamic stability, and coherent assessment, Journal of Alloys and Compounds 616, 581-593 (2014).  
_assessment that models this phase; cited as the source of values for this phase_
- [doi:10.1007/bf03029305](https://doi.org/10.1007/bf03029305) H. Okamoto, The LieSi (LithiumeSilicon) system, Bull. Alloy Phase Diagr. 11 (1990) 306e312.  
_cited as the source of values for this phase_
- [doi:10.1016/j.calphad.2015.06.007](https://doi.org/10.1016/j.calphad.2015.06.007) Z.H. Long, C.H. Tang, J. Ding, J. Gong, F.C. Yin, Z.P. Jin, Experimental investigation and thermodynamic description of the LieSieNi ternary system, Calphad 51 (2015) 13e23.  
_cited as the source of values for this phase_
- [doi:10.1016/j.jallcom.2018.07.211](https://doi.org/10.1016/j.jallcom.2018.07.211) Zhaohui Long, Xiaorong Dai, Zhi Li, Fucheng Yin, Zhanpeng Jin, Experimental investigation and thermodynamic description of the Li–Si–Mn ternary system, Journal of Alloys and Compounds 768, 686-696 (2018).  
_reports values for this phase_

## LIQUID (Li–Si)

- Id: `phase:li-si:liquid`; status `assigned`
- Structure: liquid; type `st:liquid`; liquid; confidence high
- Stability: stable in 3 of 3 calculated diagram(s): 453.55–2500 K, x(Si) 0–1
- Literature: 89 values (89 accepted) from 3 papers
- Interactive: [phase registry entry](https://orchid-project.org/phases/#phase:li-si:liquid)

Names (8): _corpus: _corpus:phase:li-si:liquid  
_paper: _paper:10.1016/j.intermet.2013.06.003:L, paper:10.1016/j.intermet.2017.02.024:L, paper:10.1016/j.intermet.2017.02.024:liquid, paper:10.1016/j.jallcom.2014.06.212:liquid  
_tdb: _tdb:LiSi-13Wan.tdb:LIQUID, tdb:LiSi-14Bra.tdb:LIQUID, tdb:LiSi-17Lia.tdb:LIQUID  


### TDB models of LIQUID (3): PHASE and CONSTITUENT statements as written

[LiSi-13Wan.tdb](https://orchid-project.org/data/databases/sgte-binary/LiSi-13Wan.tdb): LIQUID, type code %, sha256 `229cd983628a68f9…`

~~~~text
25: PHASE LIQUID:L % 1 1 !
26: CONST LIQUID:L : LI SI : !
~~~~

[LiSi-14Bra.tdb](https://orchid-project.org/data/databases/sgte-binary/LiSi-14Bra.tdb): LIQUID, type code %, sha256 `d53f1691e81929b4…`

~~~~text
25: PHASE LIQUID:L % 1 1 !
26: CONST LIQUID:L : LI SI : !
~~~~

[LiSi-17Lia.tdb](https://orchid-project.org/data/databases/sgte-binary/LiSi-17Lia.tdb): LIQUID, type code %, sha256 `47ff6e5cea85ffdd…`

~~~~text
25: PHASE LIQUID:L % 1 1 !
26: CONST LIQUID:L : LI SI : !
~~~~

Example references (7 of 7; assessments first): 

- [doi:10.1016/j.intermet.2017.02.024](https://doi.org/10.1016/j.intermet.2017.02.024) Song-Mao Liang, Franziska Taubert, Artem Kozlov, Jürgen Seidel, Florian Mertens, Rainer Schmid-Fetzer, Thermodynamics of Li-Si and Li-Si-H phase diagrams applied to hydrogen absorption and Li-ion batteries, Intermetallics 81, 32-46 (2017).  
_assessment that models this phase; reports values for this phase_
- [doi:10.1016/j.jallcom.2014.06.212](https://doi.org/10.1016/j.jallcom.2014.06.212) M. Helena Braga, Adam Dębski, Władysław Gąsior, Li–Si phase diagram: Enthalpy of mixing, thermodynamic stability, and coherent assessment, Journal of Alloys and Compounds 616, 581-593 (2014).  
_assessment that models this phase; cited as the source of values for this phase; reports values for this phase_
- [doi:10.1016/j.intermet.2013.06.003](https://doi.org/10.1016/j.intermet.2013.06.003) Peisheng Wang, Artem Kozlov, Daniel Thomas, Florian Mertens, Rainer Schmid-Fetzer, Thermodynamic analysis of the Li–Si phase equilibria from 0 K to liquidus temperatures, Intermetallics 42, 137-145 (2013).  
_assessment that models this phase; cited as the source of values for this phase; reports values for this phase_
- [doi:10.1021/cm400612k](https://doi.org/10.1021/cm400612k) Michael Zeilinger, Daryn Benson, Ulrich Häussermann, Thomas F. Fässler, Single Crystal Growth and Thermodynamic Stability of Li\<sub>17\</sub>Si\<sub>4\</sub>, Chem. Mater. 25, 1960-1967 (2013).  
_cited as the source of values for this phase_
- [doi:10.1016/j.jct.2015.01.004](https://doi.org/10.1016/j.jct.2015.01.004) Daniel Thomas, Michael Zeilinger, Daniel Gruner, Regina Hüttl, Jürgen Seidel, Anja U.B. Wolter et al., The heat capacity and entropy of the lithium silicides Li17Si4 and Li16.42Si4 in the temperature range from (2 to 873) K, The Journal of Chemical Thermodynamics 85, 178-190 (2015).  
_cited as the source of values for this phase_
- [doi:10.1149/1.2132692](https://doi.org/10.1149/1.2132692) Ram A. Sharma, Randall N. Seefurth, Thermodynamic Properties of the Lithium‐Silicon System, J. Electrochem. Soc. 123, 1763-1768 (1976).  
_cited as the source of values for this phase_
- [doi:10.1002/anie.199314421](https://doi.org/10.1002/anie.199314421) Jürgen Evers, Gilbert Oehlinger, Gerhard Sextl, High‐Pressure Synthesis of LiSi: Three‐Dimensional Network of Three‐Bonded Si\<sup>−\</sup> Ions, Angew. Chem. Int. Ed. Engl. 32, 1442-1444 (1993).  
_cited as the source of values for this phase_

## LISI (Li–Si)

- Id: `phase:li-si:lisi`; status `assigned`
- Structure: GeLi · tI32 · I4_1/a (88); type `st:geli-ti32`; tier C: assessor-stated (Hallstedt 2025 crystallographic table); confidence assessor-stated
- Structure source: B. Hallstedt, The SGTE collection of binary datasets, Calphad 89 (2025) 102833, supplementary crystallographic table (mmc2) [doi:10.1016/j.calphad.2025.102833](https://doi.org/10.1016/j.calphad.2025.102833)
- Caveat: not certain from the name or DFT alone (no_on_hull_entry_in_mp, no_structure_token); structure as stated in the SGTE crystallographic table for this phase name and system
- Stoichiometry: Li 0.5000, Si 0.5000
- Stability: stable in 2 of 2 calculated diagram(s): 300–757.19 K, x(Si) 0.5–0.5
- Literature: 7 values (7 accepted) from 1 papers
- Interactive: [phase registry entry](https://orchid-project.org/phases/#phase:li-si:lisi)

Names (4): _corpus: _corpus:phase:li-si:lisi  
_paper: _paper:10.1016/j.intermet.2017.02.024:LiSi  
_tdb: _tdb:LiSi-14Bra.tdb:LISI, tdb:LiSi-17Lia.tdb:LISI  


### TDB models of LISI (2): PHASE and CONSTITUENT statements as written

[LiSi-14Bra.tdb](https://orchid-project.org/data/databases/sgte-binary/LiSi-14Bra.tdb): LISI, type code %, sha256 `d53f1691e81929b4…`

~~~~text
80: PHASE LISI % 2 1 1 !
81: CONST LISI : LI : SI : !
~~~~

[LiSi-17Lia.tdb](https://orchid-project.org/data/databases/sgte-binary/LiSi-17Lia.tdb): LISI, type code %, sha256 `47ff6e5cea85ffdd…`

~~~~text
80: PHASE LISI % 2 1 1 !
81: CONST LISI : LI : SI : !
~~~~

Example references (4 of 4; assessments first): 

- [doi:10.1016/j.intermet.2017.02.024](https://doi.org/10.1016/j.intermet.2017.02.024) Song-Mao Liang, Franziska Taubert, Artem Kozlov, Jürgen Seidel, Florian Mertens, Rainer Schmid-Fetzer, Thermodynamics of Li-Si and Li-Si-H phase diagrams applied to hydrogen absorption and Li-ion batteries, Intermetallics 81, 32-46 (2017).  
_assessment that models this phase; reports values for this phase_
- [doi:10.1016/j.jallcom.2014.06.212](https://doi.org/10.1016/j.jallcom.2014.06.212) M. Helena Braga, Adam Dębski, Władysław Gąsior, Li–Si phase diagram: Enthalpy of mixing, thermodynamic stability, and coherent assessment, Journal of Alloys and Compounds 616, 581-593 (2014).  
_assessment that models this phase; cited as the source of values for this phase_
- [doi:10.1149/2.089308jes](https://doi.org/10.1149/2.089308jes) Wan Si Tang, Jean-Noël Chotard, Raphaël Janot, Synthesis of Single-Phase LiSi by Ball-Milling: Electrochemical Behavior and Hydrogenation Properties, J. Electrochem. Soc. 160, A1232-A1240 (2013).  
_cited as the source of values for this phase_
- [doi:10.1002/anie.199314421](https://doi.org/10.1002/anie.199314421) Jürgen Evers, Gilbert Oehlinger, Gerhard Sextl, High‐Pressure Synthesis of LiSi: Three‐Dimensional Network of Three‐Bonded Si\<sup>−\</sup> Ions, Angew. Chem. Int. Ed. Engl. 32, 1442-1444 (1993).  
_cited as the source of values for this phase_

## Please cite

- R. Arróyave, J. Saal, D. Shin, ORCHID-Registry: phase registry of binary systems (version 2026.10; Version 1, machine-extracted), Zenodo (2026). https://doi.org/10.5281/zenodo.23735970
- R. Arróyave, J. Saal, D. Shin, ORCHID data: umbrella record of the ORCHID datasets (version 2026.10; Version 1, machine-extracted), Zenodo (2026). https://doi.org/10.5281/zenodo.23736065

Also cite B. Hallstedt, The SGTE collection of binary datasets, Calphad 89 (2025) 102833, https://doi.org/10.1016/j.calphad.2025.102833 (CC BY 4.0), and the original assessment named in each file; A. Jain et al., The Materials Project: A materials genome approach to accelerating materials innovation, APL Materials 1 (2013) 011002, https://doi.org/10.1063/1.4812323 (CC BY 4.0); J. E. Saal et al., JOM 65 (2013) 1501, https://doi.org/10.1007/s11837-013-0755-4 and S. Kirklin et al., npj Comput. Mater. 1 (2015) 15010, https://doi.org/10.1038/npjcompumats.2015.10 (CC BY 4.0); the original source of every value you use (paper_citation / paper_doi, and cited_dois for values the paper cites from earlier work).

Version 1, machine-extracted: values were read by language-model readers constrained to quote their source and checked automatically, and the release was then audited on the printed pages by adversarial audits, an independent second review of fit-facing records and a preliminary human review of a frozen sample. Flags such as accepted and ESPEI-ready record screening results, not certification; known issues are listed in the release notes.

```bibtex
@misc{orchid_phase_registry_2026,
  author    = {Arr{\'o}yave, Raymundo and Saal, James and Shin, Dongwon},
  title     = {{ORCHID-Registry: phase registry of binary systems}},
  version   = {2026.10},
  publisher = {Zenodo},
  year      = {2026},
  doi       = {10.5281/zenodo.23735970},
  url       = {https://doi.org/10.5281/zenodo.23735970},
  note      = {Version 1, machine-extracted}
}

@misc{orchid_data_2026,
  author    = {Arr{\'o}yave, Raymundo and Saal, James and Shin, Dongwon},
  title     = {{ORCHID data: umbrella record of the ORCHID datasets}},
  version   = {2026.10},
  publisher = {Zenodo},
  year      = {2026},
  doi       = {10.5281/zenodo.23736065},
  url       = {https://doi.org/10.5281/zenodo.23736065},
  note      = {Version 1, machine-extracted}
}
```

---

Derived data CC BY 4.0 ([licence](https://creativecommons.org/licenses/by/4.0/)): cite the ORCHID phase registry and the sources named on the page (TDB assessments, Hallstedt 2025, Materials Project, OQMD). TDB statements are quoted as written; parameter expressions are not reproduced. Field reference: [SCHEMA.md](https://data.orchid-project.org/phases/SCHEMA.md). Machine-readable guide: [llms.txt](https://data.orchid-project.org/llms.txt).