Li–Si phases

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 · full JSON · Li–Si system page · Markdown · field reference

Phases of the Li–Si system (14)
Phase	Structure	Basis	Stability (calculated)	Literature values	TDB models
DIAMOND_A4 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	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	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	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	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		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	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	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		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	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	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	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	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	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

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: DIAMOND_A4, type code %, sha256 229cd983628a68f9…

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

LiSi-14Bra.tdb: DIAMOND_A4, type code %, sha256 d53f1691e81929b4…

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

LiSi-17Lia.tdb: DIAMOND_A4, type code %, sha256 47ff6e5cea85ffdd…

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 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 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 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 Jürgen Evers, Gilbert Oehlinger, Gerhard Sextl, High‐Pressure Synthesis of LiSi: Three‐Dimensional Network of Three‐Bonded Si− Ions, Angew. Chem. Int. Ed. Engl. 32, 1442-1444 (1993).
cited as the source of values for this phase
doi: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 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

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: BCC_A2, type code %B, sha256 229cd983628a68f9…

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

LiSi-14Bra.tdb: BCC_A2, type code %B, sha256 d53f1691e81929b4…

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

LiSi-17Lia.tdb: BCC_A2, type code %B, sha256 47ff6e5cea85ffdd…

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 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 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 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

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: FCC_A1, type code %A, sha256 229cd983628a68f9…

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

LiSi-14Bra.tdb: FCC_A1, type code %A, sha256 d53f1691e81929b4…

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

LiSi-17Lia.tdb: FCC_A1, type code %A, sha256 47ff6e5cea85ffdd…

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 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 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 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

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: HCP_A3, type code %, sha256 229cd983628a68f9…

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

LiSi-14Bra.tdb: HCP_A3, type code %, sha256 d53f1691e81929b4…

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

LiSi-17Lia.tdb: HCP_A3, type code %, sha256 47ff6e5cea85ffdd…

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 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 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 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
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

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: LI12SI7, type code %, sha256 229cd983628a68f9…

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

LiSi-14Bra.tdb: LI12SI7, type code %, sha256 d53f1691e81929b4…

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

LiSi-17Lia.tdb: LI12SI7, type code %, sha256 47ff6e5cea85ffdd…

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 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 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 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 Reinhard Nesper, Hans Georg von Schnering, Jan Curda, Li12Si7, eine Verbindung mit trigonal‐planaren Si4‐Clustern und isometrischen Si5‐Ringen, Chem. Ber. 119, 3576-3590 (1986).
cited as the source of values for this phase
doi: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 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 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 Jürgen Evers, Gilbert Oehlinger, Gerhard Sextl, High‐Pressure Synthesis of LiSi: Three‐Dimensional Network of Three‐Bonded Si− Ions, Angew. Chem. Int. Ed. Engl. 32, 1442-1444 (1993).
cited as the source of values for this phase
doi: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

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: LI13SI4, type code %, sha256 229cd983628a68f9…

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

LiSi-14Bra.tdb: LI13SI4, type code %, sha256 d53f1691e81929b4…

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

LiSi-17Lia.tdb: LI13SI4, type code %, sha256 47ff6e5cea85ffdd…

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 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 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 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 Michael Zeilinger, Daryn Benson, Ulrich Häussermann, Thomas F. Fässler, Single Crystal Growth and Thermodynamic Stability of Li17Si4, Chem. Mater. 25, 1960-1967 (2013).
cited as the source of values for this phase
doi: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 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 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 Ursula Frank, Wiking Müller, Herbert Schäfer, Zur Kenntnis der Phase Li13Si4 / On the Phase Li13Si4, 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 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

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: LI15SI4_D86, type code %, sha256 47ff6e5cea85ffdd…

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 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 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
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

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: LI17SI4, type code %, sha256 d53f1691e81929b4…

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

LiSi-17Lia.tdb: LI17SI4, type code %, sha256 47ff6e5cea85ffdd…

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 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 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 Michael Zeilinger, Daryn Benson, Ulrich Häussermann, Thomas F. Fässler, Single Crystal Growth and Thermodynamic Stability of Li17Si4, Chem. Mater. 25, 1960-1967 (2013).
cited as the source of values for this phase
doi: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

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: LI21SI5, type code %, sha256 d53f1691e81929b4…

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

LiSi-17Lia.tdb: LI21SI5, type code %, sha256 47ff6e5cea85ffdd…

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 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 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 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
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

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: LI22SI5, type code %, sha256 229cd983628a68f9…

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 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 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 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 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 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 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 H. Axel, Herbert Schäfer, Armin Weiss, Zur Kenntnis der Phase Li22Si5, 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
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

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: LI33SI8, type code %, sha256 d53f1691e81929b4…

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 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
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

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: LI7SI3, type code %, sha256 229cd983628a68f9…

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

LiSi-14Bra.tdb: LI7SI3, type code %, sha256 d53f1691e81929b4…

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

LiSi-17Lia.tdb: LI7SI3, type code %, sha256 47ff6e5cea85ffdd…

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 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 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 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 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 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 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

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: LIQUID, type code %, sha256 229cd983628a68f9…

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

LiSi-14Bra.tdb: LIQUID, type code %, sha256 d53f1691e81929b4…

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

LiSi-17Lia.tdb: LIQUID, type code %, sha256 47ff6e5cea85ffdd…

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 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 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 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 Michael Zeilinger, Daryn Benson, Ulrich Häussermann, Thomas F. Fässler, Single Crystal Growth and Thermodynamic Stability of Li17Si4, Chem. Mater. 25, 1960-1967 (2013).
cited as the source of values for this phase
doi: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 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 Jürgen Evers, Gilbert Oehlinger, Gerhard Sextl, High‐Pressure Synthesis of LiSi: Three‐Dimensional Network of Three‐Bonded Si− 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
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

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: LISI, type code %, sha256 d53f1691e81929b4…

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

LiSi-17Lia.tdb: LISI, type code %, sha256 47ff6e5cea85ffdd…

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 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 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 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 Jürgen Evers, Gilbert Oehlinger, Gerhard Sextl, High‐Pressure Synthesis of LiSi: Three‐Dimensional Network of Three‐Bonded Si− 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). doi: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). doi: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.

@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}
}