Pd–Si phases

16 phases (tier A 7, tier C 2, liquid 1, needs_review 6); 14 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 · Pd–Si system page · Markdown · field reference

Phases of the Pd–Si system (16)
Phase	Structure	Basis	Stability (calculated)	Literature values	TDB models
DIAMOND_A4 phase:pd-si:a4-diamond	C (diamond) · A4 · cF8 · Fd-3m (227)	tier A: standard phase name	stable in 5 of 5 calculated diagram(s): 300–1687 K, x(Si) 0.99995–1	5	5
BCC_A2 phase:pd-si:bcc-a2	W · A2 · cI2 · Im-3m (229)	tier A: standard phase name	not stable in 5 calculated diagram(s)	0	5
FCC_A1 phase:pd-si:fcc-a1	Cu · A1 · cF4 · Fm-3m (225)	tier A: standard phase name	stable in 5 of 5 calculated diagram(s): 300–1871.34 K, x(Si) 0–0.00831	6	5
HCP_A3 phase:pd-si:hcp-a3	Mg · A3 · hP2 · P6_3/mmc (194)	tier A: standard phase name	not stable in 5 calculated diagram(s)	0	5
LIQUID phase:pd-si:liquid	liquid	liquid	stable in 5 of 5 calculated diagram(s): 940.09–2500 K, x(Si) 0–1	22	5
PD14SI3 phase:pd-si:pd14si3		needs_review	stable in 1 of 1 calculated diagram(s): 300–1068.02 K, x(Si) 0.17647–0.17647	6	1
PD15SI4 phase:pd-si:pd15si4		needs_review	stable in 1 of 1 calculated diagram(s): 1025.87–1064.92 K, x(Si) 0.21053–0.21053	6	1
PD19SI10 phase:pd-si:pd19si10		needs_review	stable in 1 of 1 calculated diagram(s): 300–1344.55 K, x(Si) 0.34483–0.34483	6	1
PD21SI4 phase:pd-si:pd21si4		needs_review	stable in 1 of 1 calculated diagram(s): 300–1084.16 K, x(Si) 0.16–0.16323	6	1
PD2SI_BETA phase:pd-si:pd2si-beta		needs_review	stable in 1 of 1 calculated diagram(s): 1325.83–1676.99 K, x(Si) 0.33333–0.33341	8	1
PD2SI_C22 phase:pd-si:pd2si-c22	Fe2P · C22 · hP9 · P-62m (189)	tier A: standard phase name	stable in 5 of 5 calculated diagram(s): 300–1663.79 K, x(Si) 0.33333–0.34965	8	5
PD39SI20 phase:pd-si:pd39si20		needs_review	stable in 1 of 1 calculated diagram(s): 300–1352.67 K, x(Si) 0.33898–0.33898	4	1
PD3SI_D011 phase:pd-si:pd3si-d011	Fe3C · D0_11 · oP16 · Pnma (62)	tier A: standard phase name	stable in 5 of 5 calculated diagram(s): 300–1346.01 K, x(Si) 0.25–0.25	19	5
PD5SI phase:pd-si:pd5si	Pd5P · mP24 · P2_1 (4)	tier C: assessor-stated (Hallstedt 2025 crystallographic table)	stable in 4 of 4 calculated diagram(s): 300–1128.73 K, x(Si) 0.16667–0.167	22	4
PD9SI2 phase:pd-si:pd9si2	Pd9Si2 · oP44 · Pnma (62)	tier C: assessor-stated (Hallstedt 2025 crystallographic table)	stable in 4 of 4 calculated diagram(s): 300–1096.01 K, x(Si) 0.18182–0.182	20	4
PDSI_B31 phase:pd-si:pdsi-b31	MnP · B31 · oP8 · Pnma (62)	tier A: standard phase name	stable in 5 of 5 calculated diagram(s): 300–1345 K, x(Si) 0.5–0.50594	8	5

DIAMOND_A4 (Pd–Si)

Id: phase:pd-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 5 of 5 calculated diagram(s): 300–1687 K, x(Si) 0.99995–1
Literature: 5 values (5 accepted) from 2 papers
Interactive: phase registry entry

Names (9): corpus: corpus:phase:pd-si:a4-diamond, corpus:phase:pd-si:diamond-a4
paper: paper:10.1007/s11661-015-3206-8:Si-dia, paper:10.1016/j.intermet.2005.09.008:diamond(Si)
tdb: tdb:PdSi-05The.tdb:DIAMOND_A4, tdb:PdSi-06Du.tdb:DIAMOND_A4, tdb:PdSi-16Zho.tdb:DIAMOND_A4, tdb:PdSi-20Jia.tdb:DIAMOND_A4, tdb:PdSi-85Sau.tdb:DIAMOND_A4

TDB models of DIAMOND_A4 (5): PHASE and CONSTITUENT statements as written

PdSi-05The.tdb: DIAMOND_A4, type code %, sha256 4902a5627012ae08…

48: PHASE DIAMOND_A4 % 1 1 !
49: CONST DIAMOND_A4 : SI : !

PdSi-06Du.tdb: DIAMOND_A4, type code %, sha256 cd9b240e762b0dd6…

49: PHASE DIAMOND_A4 % 1 1 !
50: CONST DIAMOND_A4 : PD SI% : !

PdSi-16Zho.tdb: DIAMOND_A4, type code %, sha256 4aee6a8362e37366…

57: PHASE DIAMOND_A4 % 1 1 !
58: CONST DIAMOND_A4 : PD SI% : !

PdSi-20Jia.tdb: DIAMOND_A4, type code %, sha256 6df20c7b29268e2c…

48: PHASE DIAMOND_A4 % 1 1 !
49: CONST DIAMOND_A4 : SI : !

PdSi-85Sau.tdb: DIAMOND_A4, type code %, sha256 bc4cb871532e7a4c…

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

Example references (5 of 5; assessments first):

doi:10.1016/j.intermet.2005.09.008 Zhenmin Du, Cuiping Guo, Xiaojian Yang, Ting Liu, A thermodynamic description of the Pd–Si–C system, Intermetallics 14, 560-569 (2006).
assessment that models this phase; reports values for this phase
doi:10.1007/s11661-015-3206-8 S. H. Zhou, Y. Huo, Ralph E. Napolitano, Phase Stability for the Pd-Si System: First-Principles, Experiments, and Solution-Based Modeling, Metall Mater Trans A 47, 194-208 (2016).
assessment that models this phase; reports values for this phase
doi:10.1016/0364-5916(85)90001-X N. Saunders, Calphad, 9, 297-309(1985).
assessment that models this phase
doi:10.1016/j.commatsci.2019.109238 Chao Jiang, Isabella J. van Rooyen, Subhashish Meher, Ab initio study and thermodynamic modeling of the Pd-Si-C system, Computational Materials Science 171, 109238 (2020).
assessment that models this phase
doi:10.1016/0925-8388(93)90406-d R. Massara, P. Feschotte, Le système binaire PdSi, Journal of Alloys and Compounds 190, 249-254 (1993).
cited as the source of values for this phase

BCC_A2 (Pd–Si)

Id: phase:pd-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: not stable in 5 calculated diagram(s)
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (6): corpus: corpus:phase:pd-si:bcc-a2
tdb: tdb:PdSi-05The.tdb:BCC_A2, tdb:PdSi-06Du.tdb:BCC_A2, tdb:PdSi-16Zho.tdb:BCC_A2, tdb:PdSi-20Jia.tdb:BCC_A2, tdb:PdSi-85Sau.tdb:BCC_A2

TDB models of BCC_A2 (5): PHASE and CONSTITUENT statements as written

PdSi-05The.tdb: BCC_A2, type code %B, sha256 4902a5627012ae08…

38: PHASE BCC_A2 %B 2 1 3 !
39: CONST BCC_A2 : PD SI : VA : !

PdSi-06Du.tdb: BCC_A2, type code %B, sha256 cd9b240e762b0dd6…

39: PHASE BCC_A2 %B 2 1 3 !
40: CONST BCC_A2 : PD SI : VA : !

PdSi-16Zho.tdb: BCC_A2, type code %B, sha256 4aee6a8362e37366…

47: PHASE BCC_A2 %B 2 1 3 !
48: CONST BCC_A2 : PD SI : VA : !

PdSi-20Jia.tdb: BCC_A2, type code %B, sha256 6df20c7b29268e2c…

38: PHASE BCC_A2 %B 2 1 3 !
39: CONST BCC_A2 : PD SI : VA : !

PdSi-85Sau.tdb: BCC_A2, type code %B, sha256 bc4cb871532e7a4c…

34: PHASE BCC_A2 %B 2 1 3 !
35: CONST BCC_A2 : PD SI : VA : !

Example references (4 of 4; assessments first):

doi:10.1007/s11661-015-3206-8 S. H. Zhou, Y. Huo, Ralph E. Napolitano, Phase Stability for the Pd-Si System: First-Principles, Experiments, and Solution-Based Modeling, Metall Mater Trans A 47, 194-208 (2016).
assessment that models this phase
doi:10.1016/0364-5916(85)90001-X N. Saunders, Calphad, 9, 297-309(1985).
assessment that models this phase
doi:10.1016/j.commatsci.2019.109238 Chao Jiang, Isabella J. van Rooyen, Subhashish Meher, Ab initio study and thermodynamic modeling of the Pd-Si-C system, Computational Materials Science 171, 109238 (2020).
assessment that models this phase
doi:10.1016/j.intermet.2005.09.008 Zhenmin Du, Cuiping Guo, Xiaojian Yang, Ting Liu, A thermodynamic description of the Pd–Si–C system, Intermetallics 14, 560-569 (2006).
assessment that models this phase

FCC_A1 (Pd–Si)

Id: phase:pd-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: stable in 5 of 5 calculated diagram(s): 300–1871.34 K, x(Si) 0–0.00831
Literature: 6 values (6 accepted) from 2 papers
Interactive: phase registry entry

Names (8): corpus: corpus:phase:pd-si:fcc-a1
paper: paper:10.1007/s11661-015-3206-8:Pd-fcc, paper:10.1016/j.intermet.2005.09.008:fcc(Pd)
tdb: tdb:PdSi-05The.tdb:FCC_A1, tdb:PdSi-06Du.tdb:FCC_A1, tdb:PdSi-16Zho.tdb:FCC_A1, tdb:PdSi-20Jia.tdb:FCC_A1, tdb:PdSi-85Sau.tdb:FCC_A1

TDB models of FCC_A1 (5): PHASE and CONSTITUENT statements as written

PdSi-05The.tdb: FCC_A1, type code %A, sha256 4902a5627012ae08…

33: PHASE FCC_A1 %A 2 1 1 !
34: CONST FCC_A1 : PD% SI : VA : !

PdSi-06Du.tdb: FCC_A1, type code %A, sha256 cd9b240e762b0dd6…

34: PHASE FCC_A1 %A 2 1 1 !
35: CONST FCC_A1 : PD% SI : VA : !

PdSi-16Zho.tdb: FCC_A1, type code %A, sha256 4aee6a8362e37366…

42: PHASE FCC_A1 %A 2 1 1 !
43: CONST FCC_A1 : PD% SI : VA : !

PdSi-20Jia.tdb: FCC_A1, type code %A, sha256 6df20c7b29268e2c…

33: PHASE FCC_A1 %A 2 1 1 !
34: CONST FCC_A1 : PD% SI : VA : !

PdSi-85Sau.tdb: FCC_A1, type code %A, sha256 bc4cb871532e7a4c…

29: PHASE FCC_A1 %A 2 1 1 !
30: CONST FCC_A1 : PD% SI : VA : !

Example references (5 of 5; assessments first):

doi:10.1016/j.intermet.2005.09.008 Zhenmin Du, Cuiping Guo, Xiaojian Yang, Ting Liu, A thermodynamic description of the Pd–Si–C system, Intermetallics 14, 560-569 (2006).
assessment that models this phase; reports values for this phase
doi:10.1007/s11661-015-3206-8 S. H. Zhou, Y. Huo, Ralph E. Napolitano, Phase Stability for the Pd-Si System: First-Principles, Experiments, and Solution-Based Modeling, Metall Mater Trans A 47, 194-208 (2016).
assessment that models this phase; reports values for this phase
doi:10.1016/0364-5916(85)90001-X N. Saunders, Calphad, 9, 297-309(1985).
assessment that models this phase
doi:10.1016/j.commatsci.2019.109238 Chao Jiang, Isabella J. van Rooyen, Subhashish Meher, Ab initio study and thermodynamic modeling of the Pd-Si-C system, Computational Materials Science 171, 109238 (2020).
assessment that models this phase
doi:10.1016/0925-8388(93)90406-d R. Massara, P. Feschotte, Le système binaire PdSi, Journal of Alloys and Compounds 190, 249-254 (1993).
cited as the source of values for this phase

HCP_A3 (Pd–Si)

Id: phase:pd-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 5 calculated diagram(s)
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (6): corpus: corpus:phase:pd-si:hcp-a3
tdb: tdb:PdSi-05The.tdb:HCP_A3, tdb:PdSi-06Du.tdb:HCP_A3, tdb:PdSi-16Zho.tdb:HCP_A3, tdb:PdSi-20Jia.tdb:HCP_A3, tdb:PdSi-85Sau.tdb:HCP_A3

TDB models of HCP_A3 (5): PHASE and CONSTITUENT statements as written

PdSi-05The.tdb: HCP_A3, type code %A, sha256 4902a5627012ae08…

43: PHASE HCP_A3 %A 2 1 0.5 !
44: CONST HCP_A3 : PD SI : VA : !

PdSi-06Du.tdb: HCP_A3, type code %A, sha256 cd9b240e762b0dd6…

44: PHASE HCP_A3 %A 2 1 0.5 !
45: CONST HCP_A3 : PD SI : VA : !

PdSi-16Zho.tdb: HCP_A3, type code %A, sha256 4aee6a8362e37366…

52: PHASE HCP_A3 %A 2 1 0.5 !
53: CONST HCP_A3 : PD SI : VA : !

PdSi-20Jia.tdb: HCP_A3, type code %A, sha256 6df20c7b29268e2c…

43: PHASE HCP_A3 %A 2 1 0.5 !
44: CONST HCP_A3 : PD SI : VA : !

PdSi-85Sau.tdb: HCP_A3, type code %A, sha256 bc4cb871532e7a4c…

39: PHASE HCP_A3 %A 2 1 0.5 !
40: CONST HCP_A3 : PD SI : VA : !

Example references (4 of 4; assessments first):

doi:10.1007/s11661-015-3206-8 S. H. Zhou, Y. Huo, Ralph E. Napolitano, Phase Stability for the Pd-Si System: First-Principles, Experiments, and Solution-Based Modeling, Metall Mater Trans A 47, 194-208 (2016).
assessment that models this phase
doi:10.1016/0364-5916(85)90001-X N. Saunders, Calphad, 9, 297-309(1985).
assessment that models this phase
doi:10.1016/j.commatsci.2019.109238 Chao Jiang, Isabella J. van Rooyen, Subhashish Meher, Ab initio study and thermodynamic modeling of the Pd-Si-C system, Computational Materials Science 171, 109238 (2020).
assessment that models this phase
doi:10.1016/j.intermet.2005.09.008 Zhenmin Du, Cuiping Guo, Xiaojian Yang, Ting Liu, A thermodynamic description of the Pd–Si–C system, Intermetallics 14, 560-569 (2006).
assessment that models this phase

LIQUID (Pd–Si)

Id: phase:pd-si:liquid; status assigned
Structure: liquid; type st:liquid; liquid; confidence high
Stability: stable in 5 of 5 calculated diagram(s): 940.09–2500 K, x(Si) 0–1
Literature: 22 values (22 accepted) from 1 papers
Interactive: phase registry entry

Names (7): corpus: corpus:phase:pd-si:liquid
paper: paper:10.1016/j.intermet.2005.09.008:liq.
tdb: tdb:PdSi-05The.tdb:LIQUID, tdb:PdSi-06Du.tdb:LIQUID, tdb:PdSi-16Zho.tdb:LIQUID, tdb:PdSi-20Jia.tdb:LIQUID, tdb:PdSi-85Sau.tdb:LIQUID

TDB models of LIQUID (5): PHASE and CONSTITUENT statements as written

PdSi-05The.tdb: LIQUID, type code %, sha256 4902a5627012ae08…

28: PHASE LIQUID:L % 1 1 !
29: CONST LIQUID:L : PD SI : !

PdSi-06Du.tdb: LIQUID, type code %, sha256 cd9b240e762b0dd6…

29: PHASE LIQUID:L % 1 1 !
30: CONST LIQUID:L : PD SI : !

PdSi-16Zho.tdb: LIQUID, type code %, sha256 4aee6a8362e37366…

37: PHASE LIQUID:L % 1 1 !
38: CONST LIQUID:L : PD PD2SI SI : !

PdSi-20Jia.tdb: LIQUID, type code %, sha256 6df20c7b29268e2c…

28: PHASE LIQUID:L % 1 1 !
29: CONST LIQUID:L : PD PD2SI SI : !

PdSi-85Sau.tdb: LIQUID, type code %, sha256 bc4cb871532e7a4c…

24: PHASE LIQUID:L % 1 1 !
25: CONST LIQUID:L : PD SI : !

Example references (5 of 5; assessments first):

doi:10.1016/j.intermet.2005.09.008 Zhenmin Du, Cuiping Guo, Xiaojian Yang, Ting Liu, A thermodynamic description of the Pd–Si–C system, Intermetallics 14, 560-569 (2006).
assessment that models this phase; reports values for this phase
doi:10.1007/s11661-015-3206-8 S. H. Zhou, Y. Huo, Ralph E. Napolitano, Phase Stability for the Pd-Si System: First-Principles, Experiments, and Solution-Based Modeling, Metall Mater Trans A 47, 194-208 (2016).
assessment that models this phase
doi:10.1016/0364-5916(85)90001-X N. Saunders, Calphad, 9, 297-309(1985).
assessment that models this phase
doi:10.1016/j.commatsci.2019.109238 Chao Jiang, Isabella J. van Rooyen, Subhashish Meher, Ab initio study and thermodynamic modeling of the Pd-Si-C system, Computational Materials Science 171, 109238 (2020).
assessment that models this phase
doi:10.1016/0925-8388(93)90406-d R. Massara, P. Feschotte, Le système binaire PdSi, Journal of Alloys and Compounds 190, 249-254 (1993).
cited as the source of values for this phase

PD14SI3 (Pd–Si)

Id: phase:pd-si:pd14si3; status needs_review
No structure assigned. Why: no_on_hull_entry_in_both; no_structure_token; sgte_mmc2_row_incomplete
Candidate (literature_printed): (Pd14Si3) · ? — printed with a label mapped to this phase
Candidate (sgte_mmc2): (Pd14Si3) — Hallstedt 2025 mmc2 row for PD14SI3: Pd14Si3
Stoichiometry: Pd 0.8235, Si 0.1765
Stability: stable in 1 of 1 calculated diagram(s): 300–1068.02 K, x(Si) 0.17647–0.17647
Literature: 6 values (6 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:pd-si:pd14si3
paper: paper:10.1016/j.intermet.2005.09.008:Pd14Si3
tdb: tdb:PdSi-06Du.tdb:PD14SI3

TDB models of PD14SI3 (1): PHASE and CONSTITUENT statements as written

PdSi-06Du.tdb: PD14SI3, type code %, sha256 cd9b240e762b0dd6…

64: PHASE PD14SI3 % 2 14 3 !
65: CONST PD14SI3 : PD : SI : !

Example references (2 of 2; assessments first):

doi:10.1016/j.intermet.2005.09.008 Zhenmin Du, Cuiping Guo, Xiaojian Yang, Ting Liu, A thermodynamic description of the Pd–Si–C system, Intermetallics 14, 560-569 (2006).
assessment that models this phase; reports values for this phase
doi:10.1016/0925-8388(93)90406-d R. Massara, P. Feschotte, Le système binaire PdSi, Journal of Alloys and Compounds 190, 249-254 (1993).
cited as the source of values for this phase

PD15SI4 (Pd–Si)

Id: phase:pd-si:pd15si4; status needs_review
No structure assigned. Why: no_on_hull_entry_in_both; no_structure_token; sgte_mmc2_row_incomplete
Candidate (literature_printed): (Pd15Si4) · ? — printed with a label mapped to this phase
Candidate (sgte_mmc2): (Pd15Si4) — Hallstedt 2025 mmc2 row for PD15SI4: Pd15Si4
Stoichiometry: Pd 0.7895, Si 0.2105
Stability: stable in 1 of 1 calculated diagram(s): 1025.87–1064.92 K, x(Si) 0.21053–0.21053
Literature: 6 values (6 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:pd-si:pd15si4
paper: paper:10.1016/j.intermet.2005.09.008:Pd15Si4
tdb: tdb:PdSi-06Du.tdb:PD15SI4

TDB models of PD15SI4 (1): PHASE and CONSTITUENT statements as written

PdSi-06Du.tdb: PD15SI4, type code %, sha256 cd9b240e762b0dd6…

74: PHASE PD15SI4 % 2 15 4 !
75: CONST PD15SI4 : PD : SI : !

Example references (2 of 2; assessments first):

doi:10.1016/j.intermet.2005.09.008 Zhenmin Du, Cuiping Guo, Xiaojian Yang, Ting Liu, A thermodynamic description of the Pd–Si–C system, Intermetallics 14, 560-569 (2006).
assessment that models this phase; reports values for this phase
doi:10.1016/0925-8388(93)90406-d R. Massara, P. Feschotte, Le système binaire PdSi, Journal of Alloys and Compounds 190, 249-254 (1993).
cited as the source of values for this phase

PD19SI10 (Pd–Si)

Id: phase:pd-si:pd19si10; status needs_review
No structure assigned. Why: no_on_hull_entry_in_both; no_structure_token; sgte_mmc2_row_incomplete
Candidate (literature_printed): (Pd19Si10) · ? — printed with a label mapped to this phase
Candidate (sgte_mmc2): (Pd19Si10) — Hallstedt 2025 mmc2 row for PD19SI10: Pd19Si10
Stoichiometry: Pd 0.6552, Si 0.3448
Stability: stable in 1 of 1 calculated diagram(s): 300–1344.55 K, x(Si) 0.34483–0.34483
Literature: 6 values (6 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:pd-si:pd19si10
paper: paper:10.1016/j.intermet.2005.09.008:Pd19Si10
tdb: tdb:PdSi-06Du.tdb:PD19SI10

TDB models of PD19SI10 (1): PHASE and CONSTITUENT statements as written

PdSi-06Du.tdb: PD19SI10, type code %, sha256 cd9b240e762b0dd6…

99: PHASE PD19SI10 % 2 19 10 !
100: CONST PD19SI10 : PD : SI : !

Example references (2 of 2; assessments first):

doi:10.1016/j.intermet.2005.09.008 Zhenmin Du, Cuiping Guo, Xiaojian Yang, Ting Liu, A thermodynamic description of the Pd–Si–C system, Intermetallics 14, 560-569 (2006).
assessment that models this phase; reports values for this phase
doi:10.1016/0925-8388(93)90406-d R. Massara, P. Feschotte, Le système binaire PdSi, Journal of Alloys and Compounds 190, 249-254 (1993).
cited as the source of values for this phase

PD21SI4 (Pd–Si)

Id: phase:pd-si:pd21si4; status needs_review
No structure assigned. Why: no_structure_token; off_stoichiometric_model; sgte_mmc2_row_incomplete
Candidate (literature_printed): (Pd21Si4) · ? — printed with a label mapped to this phase
Candidate (sgte_mmc2): (Pd21Si4) — Hallstedt 2025 mmc2 row for PD21SI4: Pd21Si4
Stability: stable in 1 of 1 calculated diagram(s): 300–1084.16 K, x(Si) 0.16–0.16323
Literature: 6 values (6 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:pd-si:pd21si4
paper: paper:10.1016/j.intermet.2005.09.008:Pd21Si4
tdb: tdb:PdSi-06Du.tdb:PD21SI4

TDB models of PD21SI4 (1): PHASE and CONSTITUENT statements as written

PdSi-06Du.tdb: PD21SI4, type code %, sha256 cd9b240e762b0dd6…

54: PHASE PD21SI4 % 2 21 4 !
55: CONST PD21SI4 : PD% SI : SI : !

Example references (2 of 2; assessments first):

doi:10.1016/j.intermet.2005.09.008 Zhenmin Du, Cuiping Guo, Xiaojian Yang, Ting Liu, A thermodynamic description of the Pd–Si–C system, Intermetallics 14, 560-569 (2006).
assessment that models this phase; reports values for this phase
doi:10.1016/0925-8388(93)90406-d R. Massara, P. Feschotte, Le système binaire PdSi, Journal of Alloys and Compounds 190, 249-254 (1993).
cited as the source of values for this phase

PD2SI_BETA (Pd–Si)

Id: phase:pd-si:pd2si-beta; status needs_review
No structure assigned. Why: no_structure_token; off_stoichiometric_model; sgte_mmc2_row_incomplete
Candidate (dft_mp): P-62m (189) — on-hull MP SiPd2 at x(SI)=0.3333
Candidate (dft_oqmd): P-62m (189) — on-hull OQMD Pd2 Si1 at x(SI)=0.3333
Candidate (literature_printed): (Pd2Si-beta) · ? — printed with a label mapped to this phase
Candidate (sgte_mmc2): (Pd2Si-beta) — Hallstedt 2025 mmc2 row for PD2SI_BETA: Pd2Si (hight T)
Stability: stable in 1 of 1 calculated diagram(s): 1325.83–1676.99 K, x(Si) 0.33333–0.33341
Literature: 8 values (8 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:pd-si:pd2si-beta
paper: paper:10.1016/j.intermet.2005.09.008:βPd2Si
tdb: tdb:PdSi-06Du.tdb:PD2SI_BETA

TDB models of PD2SI_BETA (1): PHASE and CONSTITUENT statements as written

PdSi-06Du.tdb: PD2SI_BETA, type code %, sha256 cd9b240e762b0dd6…

89: PHASE PD2SI_BETA % 2 2 1 !
90: CONST PD2SI_BETA : PD% SI : SI : !

Example references (2 of 2; assessments first):

doi:10.1016/j.intermet.2005.09.008 Zhenmin Du, Cuiping Guo, Xiaojian Yang, Ting Liu, A thermodynamic description of the Pd–Si–C system, Intermetallics 14, 560-569 (2006).
assessment that models this phase; reports values for this phase
doi:10.1016/0925-8388(93)90406-d R. Massara, P. Feschotte, Le système binaire PdSi, Journal of Alloys and Compounds 190, 249-254 (1993).
cited as the source of values for this phase

PD2SI_C22 (Pd–Si)

Id: phase:pd-si:pd2si-c22; status assigned
Structure: Fe2P · C22 · hP9 · P-62m (189); type st:c22-fe2p-hp9; tier A: standard phase name; confidence high
Caveat: partitioned order/disorder model in PdSi-16Zho.tdb also describes the disordered state
Stability: stable in 5 of 5 calculated diagram(s): 300–1663.79 K, x(Si) 0.33333–0.34965
Literature: 8 values (8 accepted) from 2 papers
Interactive: phase registry entry

Names (8): corpus: corpus:phase:pd-si:pd2si-c22
paper: paper:10.1007/s11661-015-3206-8:Pd2Si, paper:10.1016/j.intermet.2005.09.008:αPd2Si
tdb: tdb:PdSi-05The.tdb:PD2SI_C22, tdb:PdSi-06Du.tdb:PD2SI_C22, tdb:PdSi-16Zho.tdb:PD2SI_C22, tdb:PdSi-20Jia.tdb:PD2SI_C22, tdb:PdSi-85Sau.tdb:PD2SI_C22

TDB models of PD2SI_C22 (5): PHASE and CONSTITUENT statements as written

PdSi-05The.tdb: PD2SI_C22, type code %, sha256 4902a5627012ae08…

68: PHASE PD2SI_C22 % 2 2 1 !
69: CONST PD2SI_C22 : PD : SI : !

PdSi-06Du.tdb: PD2SI_C22, type code %, sha256 cd9b240e762b0dd6…

84: PHASE PD2SI_C22 % 2 2 1 !
85: CONST PD2SI_C22 : PD% SI : SI : !

PdSi-16Zho.tdb: PD2SI_C22, type code %, sha256 4aee6a8362e37366…

77: PHASE PD2SI_C22 % 2 2 1 !
78: CONST PD2SI_C22 : PD% SI : PD SI% : !

PdSi-20Jia.tdb: PD2SI_C22, type code %, sha256 6df20c7b29268e2c…

68: PHASE PD2SI_C22 % 2 2 1 !
69: CONST PD2SI_C22 : PD : SI : !

PdSi-85Sau.tdb: PD2SI_C22, type code %, sha256 bc4cb871532e7a4c…

54: PHASE PD2SI_C22 % 2 2 1 !
55: CONST PD2SI_C22 : PD : SI : !

Example references (5 of 5; assessments first):

doi:10.1016/j.intermet.2005.09.008 Zhenmin Du, Cuiping Guo, Xiaojian Yang, Ting Liu, A thermodynamic description of the Pd–Si–C system, Intermetallics 14, 560-569 (2006).
assessment that models this phase; reports values for this phase
doi:10.1007/s11661-015-3206-8 S. H. Zhou, Y. Huo, Ralph E. Napolitano, Phase Stability for the Pd-Si System: First-Principles, Experiments, and Solution-Based Modeling, Metall Mater Trans A 47, 194-208 (2016).
assessment that models this phase; reports values for this phase
doi:10.1016/0364-5916(85)90001-X N. Saunders, Calphad, 9, 297-309(1985).
assessment that models this phase
doi:10.1016/j.commatsci.2019.109238 Chao Jiang, Isabella J. van Rooyen, Subhashish Meher, Ab initio study and thermodynamic modeling of the Pd-Si-C system, Computational Materials Science 171, 109238 (2020).
assessment that models this phase
doi:10.1016/0925-8388(93)90406-d R. Massara, P. Feschotte, Le système binaire PdSi, Journal of Alloys and Compounds 190, 249-254 (1993).
cited as the source of values for this phase

PD39SI20 (Pd–Si)

Id: phase:pd-si:pd39si20; status needs_review
No structure assigned. Why: no_on_hull_entry_in_both; no_structure_token; sgte_mmc2_row_incomplete
Candidate (literature_printed): (Pd39Si20) · ? — printed with a label mapped to this phase
Candidate (sgte_mmc2): (Pd39Si20) — Hallstedt 2025 mmc2 row for PD39SI20: Pd39Si20
Stoichiometry: Pd 0.6610, Si 0.3390
Stability: stable in 1 of 1 calculated diagram(s): 300–1352.67 K, x(Si) 0.33898–0.33898
Literature: 4 values (4 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:pd-si:pd39si20
paper: paper:10.1016/j.intermet.2005.09.008:Pd39Si20
tdb: tdb:PdSi-06Du.tdb:PD39SI20

TDB models of PD39SI20 (1): PHASE and CONSTITUENT statements as written

PdSi-06Du.tdb: PD39SI20, type code %, sha256 cd9b240e762b0dd6…

94: PHASE PD39SI20 % 2 39 20 !
95: CONST PD39SI20 : PD : SI : !

Example references (2 of 2; assessments first):

doi:10.1016/j.intermet.2005.09.008 Zhenmin Du, Cuiping Guo, Xiaojian Yang, Ting Liu, A thermodynamic description of the Pd–Si–C system, Intermetallics 14, 560-569 (2006).
assessment that models this phase; reports values for this phase
doi:10.1016/0925-8388(93)90406-d R. Massara, P. Feschotte, Le système binaire PdSi, Journal of Alloys and Compounds 190, 249-254 (1993).
cited as the source of values for this phase

PD3SI_D011 (Pd–Si)

Id: phase:pd-si:pd3si-d011; status assigned
Structure: Fe3C · D0_11 · oP16 · Pnma (62); type st:d0-11-fe3c-op16; tier A: standard phase name; confidence high
Caveat: partitioned order/disorder model in PdSi-16Zho.tdb also describes the disordered state
Stability: stable in 5 of 5 calculated diagram(s): 300–1346.01 K, x(Si) 0.25–0.25
Literature: 19 values (19 accepted) from 2 papers
Interactive: phase registry entry

Names (8): corpus: corpus:phase:pd-si:pd3si-d011
paper: paper:10.1007/s11661-015-3206-8:Pd3Si, paper:10.1016/j.intermet.2005.09.008:Pd3Si
tdb: tdb:PdSi-05The.tdb:PD3SI_D011, tdb:PdSi-06Du.tdb:PD3SI_D011, tdb:PdSi-16Zho.tdb:PD3SI_D011, tdb:PdSi-20Jia.tdb:PD3SI_D011, tdb:PdSi-85Sau.tdb:PD3SI_D011

TDB models of PD3SI_D011 (5): PHASE and CONSTITUENT statements as written

PdSi-05The.tdb: PD3SI_D011, type code %, sha256 4902a5627012ae08…

63: PHASE PD3SI_D011 % 2 3 1 !
64: CONST PD3SI_D011 : PD : SI : !

PdSi-06Du.tdb: PD3SI_D011, type code %, sha256 cd9b240e762b0dd6…

79: PHASE PD3SI_D011 % 2 3 1 !
80: CONST PD3SI_D011 : PD : SI : !

PdSi-16Zho.tdb: PD3SI_D011, type code %, sha256 4aee6a8362e37366…

72: PHASE PD3SI_D011 % 2 3 1 !
73: CONST PD3SI_D011 : PD% SI : PD SI% : !

PdSi-20Jia.tdb: PD3SI_D011, type code %, sha256 6df20c7b29268e2c…

63: PHASE PD3SI_D011 % 2 3 1 !
64: CONST PD3SI_D011 : PD : SI : !

PdSi-85Sau.tdb: PD3SI_D011, type code %, sha256 bc4cb871532e7a4c…

49: PHASE PD3SI_D011 % 2 3 1 !
50: CONST PD3SI_D011 : PD : SI : !

Example references (5 of 5; assessments first):

doi:10.1016/j.intermet.2005.09.008 Zhenmin Du, Cuiping Guo, Xiaojian Yang, Ting Liu, A thermodynamic description of the Pd–Si–C system, Intermetallics 14, 560-569 (2006).
assessment that models this phase; reports values for this phase
doi:10.1007/s11661-015-3206-8 S. H. Zhou, Y. Huo, Ralph E. Napolitano, Phase Stability for the Pd-Si System: First-Principles, Experiments, and Solution-Based Modeling, Metall Mater Trans A 47, 194-208 (2016).
assessment that models this phase; reports values for this phase
doi:10.1016/0364-5916(85)90001-X N. Saunders, Calphad, 9, 297-309(1985).
assessment that models this phase
doi:10.1016/j.commatsci.2019.109238 Chao Jiang, Isabella J. van Rooyen, Subhashish Meher, Ab initio study and thermodynamic modeling of the Pd-Si-C system, Computational Materials Science 171, 109238 (2020).
assessment that models this phase
doi:10.1016/0925-8388(93)90406-d R. Massara, P. Feschotte, Le système binaire PdSi, Journal of Alloys and Compounds 190, 249-254 (1993).
cited as the source of values for this phase

PD5SI (Pd–Si)

Id: phase:pd-si:pd5si; status assigned
Structure: Pd5P · mP24 · P2_1 (4); type st:pd5p-mp24; 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_structure_token, off_stoichiometric_model); structure as stated in the SGTE crystallographic table for this phase name and system
Stability: stable in 4 of 4 calculated diagram(s): 300–1128.73 K, x(Si) 0.16667–0.167
Literature: 22 values (22 accepted) from 2 papers
Interactive: phase registry entry

Names (7): corpus: corpus:phase:pd-si:pd5si
paper: paper:10.1007/s11661-015-3206-8:Pd5Si, paper:10.1016/j.intermet.2005.09.008:Pd5Si
tdb: tdb:PdSi-05The.tdb:PD5SI, tdb:PdSi-06Du.tdb:PD5SI, tdb:PdSi-16Zho.tdb:PD5SI, tdb:PdSi-20Jia.tdb:PD5SI

TDB models of PD5SI (4): PHASE and CONSTITUENT statements as written

PdSi-05The.tdb: PD5SI, type code %, sha256 4902a5627012ae08…

53: PHASE PD5SI % 2 5 1 !
54: CONST PD5SI : PD : SI : !

PdSi-06Du.tdb: PD5SI, type code %, sha256 cd9b240e762b0dd6…

59: PHASE PD5SI % 2 5 1 !
60: CONST PD5SI : PD : SI : !

PdSi-16Zho.tdb: PD5SI, type code %, sha256 4aee6a8362e37366…

62: PHASE PD5SI % 2 0.833 0.167 !
63: CONST PD5SI : PD% SI : PD SI% : !

PdSi-20Jia.tdb: PD5SI, type code %, sha256 6df20c7b29268e2c…

53: PHASE PD5SI % 2 5 1 !
54: CONST PD5SI : PD : SI : !

Example references (4 of 4; assessments first):

doi:10.1016/j.intermet.2005.09.008 Zhenmin Du, Cuiping Guo, Xiaojian Yang, Ting Liu, A thermodynamic description of the Pd–Si–C system, Intermetallics 14, 560-569 (2006).
assessment that models this phase; reports values for this phase
doi:10.1007/s11661-015-3206-8 S. H. Zhou, Y. Huo, Ralph E. Napolitano, Phase Stability for the Pd-Si System: First-Principles, Experiments, and Solution-Based Modeling, Metall Mater Trans A 47, 194-208 (2016).
assessment that models this phase; reports values for this phase
doi:10.1016/j.commatsci.2019.109238 Chao Jiang, Isabella J. van Rooyen, Subhashish Meher, Ab initio study and thermodynamic modeling of the Pd-Si-C system, Computational Materials Science 171, 109238 (2020).
assessment that models this phase
doi:10.1016/0925-8388(93)90406-d R. Massara, P. Feschotte, Le système binaire PdSi, Journal of Alloys and Compounds 190, 249-254 (1993).
cited as the source of values for this phase

PD9SI2 (Pd–Si)

Id: phase:pd-si:pd9si2; status assigned
Structure: Pd9Si2 · oP44 · Pnma (62); type st:pd9si2-op44; 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_structure_token, off_stoichiometric_model); structure as stated in the SGTE crystallographic table for this phase name and system
Stability: stable in 4 of 4 calculated diagram(s): 300–1096.01 K, x(Si) 0.18182–0.182
Literature: 20 values (20 accepted) from 2 papers
Interactive: phase registry entry

Names (7): corpus: corpus:phase:pd-si:pd9si2
paper: paper:10.1007/s11661-015-3206-8:Pd9Si2, paper:10.1016/j.intermet.2005.09.008:Pd9Si2
tdb: tdb:PdSi-05The.tdb:PD9SI2, tdb:PdSi-06Du.tdb:PD9SI2, tdb:PdSi-16Zho.tdb:PD9SI2, tdb:PdSi-20Jia.tdb:PD9SI2

TDB models of PD9SI2 (4): PHASE and CONSTITUENT statements as written

PdSi-05The.tdb: PD9SI2, type code %, sha256 4902a5627012ae08…

58: PHASE PD9SI2 % 2 9 2 !
59: CONST PD9SI2 : PD : SI : !

PdSi-06Du.tdb: PD9SI2, type code %, sha256 cd9b240e762b0dd6…

69: PHASE PD9SI2 % 2 9 2 !
70: CONST PD9SI2 : PD : SI : !

PdSi-16Zho.tdb: PD9SI2, type code %, sha256 4aee6a8362e37366…

67: PHASE PD9SI2 % 2 0.818 0.182 !
68: CONST PD9SI2 : PD% SI : PD SI% : !

PdSi-20Jia.tdb: PD9SI2, type code %, sha256 6df20c7b29268e2c…

58: PHASE PD9SI2 % 2 9 2 !
59: CONST PD9SI2 : PD : SI : !

Example references (4 of 4; assessments first):

doi:10.1007/s11661-015-3206-8 S. H. Zhou, Y. Huo, Ralph E. Napolitano, Phase Stability for the Pd-Si System: First-Principles, Experiments, and Solution-Based Modeling, Metall Mater Trans A 47, 194-208 (2016).
assessment that models this phase; reports values for this phase
doi:10.1016/j.intermet.2005.09.008 Zhenmin Du, Cuiping Guo, Xiaojian Yang, Ting Liu, A thermodynamic description of the Pd–Si–C system, Intermetallics 14, 560-569 (2006).
assessment that models this phase; reports values for this phase
doi:10.1016/j.commatsci.2019.109238 Chao Jiang, Isabella J. van Rooyen, Subhashish Meher, Ab initio study and thermodynamic modeling of the Pd-Si-C system, Computational Materials Science 171, 109238 (2020).
assessment that models this phase
doi:10.1016/0925-8388(93)90406-d R. Massara, P. Feschotte, Le système binaire PdSi, Journal of Alloys and Compounds 190, 249-254 (1993).
cited as the source of values for this phase

PDSI_B31 (Pd–Si)

Id: phase:pd-si:pdsi-b31; status assigned
Structure: MnP · B31 · oP8 · Pnma (62); type st:b31-mnp-op8; tier A: standard phase name; confidence high
Caveat: partitioned order/disorder model in PdSi-16Zho.tdb also describes the disordered state
Stability: stable in 5 of 5 calculated diagram(s): 300–1345 K, x(Si) 0.5–0.50594
Literature: 8 values (8 accepted) from 1 papers
Interactive: phase registry entry

Names (7): corpus: corpus:phase:pd-si:pdsi-b31
paper: paper:10.1016/j.intermet.2005.09.008:PdSi
tdb: tdb:PdSi-05The.tdb:PDSI_B31, tdb:PdSi-06Du.tdb:PDSI_B31, tdb:PdSi-16Zho.tdb:PDSI_B31, tdb:PdSi-20Jia.tdb:PDSI_B31, tdb:PdSi-85Sau.tdb:PDSI_B31

TDB models of PDSI_B31 (5): PHASE and CONSTITUENT statements as written

PdSi-05The.tdb: PDSI_B31, type code %, sha256 4902a5627012ae08…

73: PHASE PDSI_B31 % 2 1 1 !
74: CONST PDSI_B31 : PD : SI : !

PdSi-06Du.tdb: PDSI_B31, type code %, sha256 cd9b240e762b0dd6…

104: PHASE PDSI_B31 % 2 1 1 !
105: CONST PDSI_B31 : PD : SI : !

PdSi-16Zho.tdb: PDSI_B31, type code %, sha256 4aee6a8362e37366…

82: PHASE PDSI_B31 % 2 1 1 !
83: CONST PDSI_B31 : PD% SI : PD SI% : !

PdSi-20Jia.tdb: PDSI_B31, type code %, sha256 6df20c7b29268e2c…

73: PHASE PDSI_B31 % 2 1 1 !
74: CONST PDSI_B31 : PD : SI : !

PdSi-85Sau.tdb: PDSI_B31, type code %, sha256 bc4cb871532e7a4c…

59: PHASE PDSI_B31 % 2 1 1 !
60: CONST PDSI_B31 : PD : SI : !

Example references (5 of 5; assessments first):

doi:10.1016/j.intermet.2005.09.008 Zhenmin Du, Cuiping Guo, Xiaojian Yang, Ting Liu, A thermodynamic description of the Pd–Si–C system, Intermetallics 14, 560-569 (2006).
assessment that models this phase; reports values for this phase
doi:10.1007/s11661-015-3206-8 S. H. Zhou, Y. Huo, Ralph E. Napolitano, Phase Stability for the Pd-Si System: First-Principles, Experiments, and Solution-Based Modeling, Metall Mater Trans A 47, 194-208 (2016).
assessment that models this phase
doi:10.1016/0364-5916(85)90001-X N. Saunders, Calphad, 9, 297-309(1985).
assessment that models this phase
doi:10.1016/j.commatsci.2019.109238 Chao Jiang, Isabella J. van Rooyen, Subhashish Meher, Ab initio study and thermodynamic modeling of the Pd-Si-C system, Computational Materials Science 171, 109238 (2020).
assessment that models this phase
doi:10.1016/0925-8388(93)90406-d R. Massara, P. Feschotte, Le système binaire PdSi, Journal of Alloys and Compounds 190, 249-254 (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}
}