Fe–Sb phases

7 phases (tier A 6, liquid 1); 6 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 · Fe–Sb system page · Markdown · field reference

Phases of the Fe–Sb system (7)
Phase	Structure	Basis	Stability (calculated)	Literature values	TDB models
RHOMBOHEDRAL_A7 phase:fe-sb:a7-rhombohedral	alpha-As · A7 · hR2 · R-3m (166)	tier A: standard phase name	stable in 3 of 3 calculated diagram(s): 300–903.78 K, x(Sb) 1–1	14	3
BCC_A2 phase:fe-sb:bcc-a2	W · A2 · cI2 · Im-3m (229)	tier A: standard phase name	stable in 3 of 3 calculated diagram(s): 300–1820.95 K, x(Sb) 0–0.05903	19	3
FCC_A1 phase:fe-sb:fcc-a1	Cu · A1 · cF4 · Fm-3m (225)	tier A: standard phase name	stable in 3 of 3 calculated diagram(s): 1147.46–1670.46 K, x(Sb) 0–0.01169	5	3
FESB_B81 phase:fe-sb:fesb-b81	NiAs · B8_1 · hP4 · P6_3/mmc (194)	tier A: standard phase name	stable in 3 of 3 calculated diagram(s): 300–1307.8 K, x(Sb) 0.4032–0.49486	17	3
FESB2_C18 phase:fe-sb:fesb2-c18	alpha-FeS2 · C18 · oP6 · Pnnm (58)	tier A: standard phase name	stable in 3 of 3 calculated diagram(s): 300–1021.34 K, x(Sb) 0.66667–0.66667	29	3
HCP_A3 phase:fe-sb:hcp-a3	Mg · A3 · hP2 · P6_3/mmc (194)	tier A: standard phase name	not stable in 3 calculated diagram(s)	0	3
LIQUID phase:fe-sb:liquid	liquid	liquid	stable in 3 of 3 calculated diagram(s): 897.68–2500 K, x(Sb) 0–1	62	3

RHOMBOHEDRAL_A7 (Fe–Sb)

Id: phase:fe-sb:a7-rhombohedral; status assigned
Structure: alpha-As · A7 · hR2 · R-3m (166); type st:a7-alpha-as-hr2; tier A: standard phase name; confidence high
Stoichiometry: Sb 1.0000
Stability: stable in 3 of 3 calculated diagram(s): 300–903.78 K, x(Sb) 1–1
Literature: 14 values (14 accepted) from 3 papers
Interactive: phase registry entry

Names (8): corpus: corpus:phase:fe-sb:a7-rhombohedral, corpus:phase:fe-sb:rhombohedral-a7
paper: paper:10.1016/0364-5916(95)00001-u:α-Sb, paper:10.1016/j.calphad.2008.01.001:Sb, paper:10.1016/j.calphad.2014.05.005:Sb
tdb: tdb:FeSb-08Boa.tdb:RHOMBOHEDRAL_A7, tdb:FeSb-14Li.tdb:RHOMBOHEDRAL_A7, tdb:FeSb-95Pei-LB.tdb:RHOMBOHEDRAL_A7

TDB models of RHOMBOHEDRAL_A7 (3): PHASE and CONSTITUENT statements as written

FeSb-08Boa.tdb: RHOMBOHEDRAL_A7, type code %, sha256 67f3cb0310dccf1b…

43: PHASE RHOMBOHEDRAL_A7 % 1 1 !
44: CONST RHOMBOHEDRAL_A7 : SB : !

FeSb-14Li.tdb: RHOMBOHEDRAL_A7, type code %, sha256 8512f95ce9460d49…

43: PHASE RHOMBOHEDRAL_A7 % 1 1 !
44: CONST RHOMBOHEDRAL_A7 : SB : !

FeSb-95Pei-LB.tdb: RHOMBOHEDRAL_A7, type code %, sha256 75ce69413b04b2fe…

44: PHASE RHOMBOHEDRAL_A7 % 1 1 !
45: CONST RHOMBOHEDRAL_A7 : SB : !

Example references (7 of 7; assessments first):

doi:10.1016/j.calphad.2014.05.005 Changrong Li, Daiman Zhu, Yubi Zhang, Zhenmin Du, Cuiping Guo, Junqin Li et al., Thermodynamic assessment of the Co–Fe–Sb system, Calphad 47, 23-34 (2014).
assessment that models this phase; reports values for this phase
doi:10.1016/0364-5916(95)00001-U B. Pei, B. Bjorkman, B. Sundman, B. Jansson, Calphad, 19, 1-15(1995).
assessment that models this phase; reports values for this phase
doi:10.1016/j.calphad.2008.01.001 D. Boa, S. Hassam, G. Kra, K.P. Kotchi, J. Rogez, The ternary bismuth–iron–antimony system: Experimental phase diagram study and thermodynamic evaluation, Calphad 32, 227-239 (2008).
assessment that models this phase; reports values for this phase
doi:10.1016/s0925-8388(96)02597-2 Klaus W. Richter, Herbert Ipser, Reinvestigation of the binary Fe-Sb phase diagram, Journal of Alloys and Compounds 247, 247-249 (1997).
cited as the source of values for this phase
doi:10.1002/srin.193900887 Werner Geller, Das System Eisen‐Kobalt‐Antimon, Steel Research Intl 13, 263-266 (1939).
cited as the source of values for this phase
doi:10.1002/zaac.19080580102 N. S. Kurnakow, N. S. Konstantinow, Antimonide des Eisens und des Cadmiums, Z. Anorg. Chem. 58, 1-22 (1908).
cited as the source of values for this phase
doi:10.1016/0022-5088(89)90235-x P. Feschotte, D. Lorin, Les systemes binaires Fe-Sb, Co-Sb et Ni-Sb, Journal of the Less Common Metals 155, 255-269 (1989).
cited as the source of values for this phase

BCC_A2 (Fe–Sb)

Id: phase:fe-sb: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): 300–1820.95 K, x(Sb) 0–0.05903
Literature: 19 values (19 accepted) from 3 papers
Interactive: phase registry entry

Names (7): corpus: corpus:phase:fe-sb:bcc-a2
paper: paper:10.1016/0364-5916(95)00001-u:α-Fe, paper:10.1016/j.calphad.2008.01.001:αFe, paper:10.1016/j.calphad.2014.05.005:α(Fe)
tdb: tdb:FeSb-08Boa.tdb:BCC_A2, tdb:FeSb-14Li.tdb:BCC_A2, tdb:FeSb-95Pei-LB.tdb:BCC_A2

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

FeSb-08Boa.tdb: BCC_A2, type code %B, sha256 67f3cb0310dccf1b…

33: PHASE BCC_A2 %B 2 1 3 !
34: CONST BCC_A2 : FE% SB : VA : !

FeSb-14Li.tdb: BCC_A2, type code %B, sha256 8512f95ce9460d49…

33: PHASE BCC_A2 %B 2 1 3 !
34: CONST BCC_A2 : FE% SB : VA : !

FeSb-95Pei-LB.tdb: BCC_A2, type code %B, sha256 75ce69413b04b2fe…

34: PHASE BCC_A2 %B 2 1 3 !
35: CONST BCC_A2 : FE% SB : VA : !

Example references (7 of 7; assessments first):

doi:10.1016/j.calphad.2014.05.005 Changrong Li, Daiman Zhu, Yubi Zhang, Zhenmin Du, Cuiping Guo, Junqin Li et al., Thermodynamic assessment of the Co–Fe–Sb system, Calphad 47, 23-34 (2014).
assessment that models this phase; reports values for this phase
doi:10.1016/0364-5916(95)00001-U B. Pei, B. Bjorkman, B. Sundman, B. Jansson, Calphad, 19, 1-15(1995).
assessment that models this phase; reports values for this phase
doi:10.1016/j.calphad.2008.01.001 D. Boa, S. Hassam, G. Kra, K.P. Kotchi, J. Rogez, The ternary bismuth–iron–antimony system: Experimental phase diagram study and thermodynamic evaluation, Calphad 32, 227-239 (2008).
assessment that models this phase; reports values for this phase
doi:10.1002/srin.193900887 Werner Geller, Das System Eisen‐Kobalt‐Antimon, Steel Research Intl 13, 263-266 (1939).
cited as the source of values for this phase
doi:10.1002/zaac.19080580102 N. S. Kurnakow, N. S. Konstantinow, Antimonide des Eisens und des Cadmiums, Z. Anorg. Chem. 58, 1-22 (1908).
cited as the source of values for this phase
doi:10.1016/0022-5088(89)90235-x P. Feschotte, D. Lorin, Les systemes binaires Fe-Sb, Co-Sb et Ni-Sb, Journal of the Less Common Metals 155, 255-269 (1989).
cited as the source of values for this phase
doi:10.1016/s0925-8388(96)02597-2 Klaus W. Richter, Herbert Ipser, Reinvestigation of the binary Fe-Sb phase diagram, Journal of Alloys and Compounds 247, 247-249 (1997).
cited as the source of values for this phase

FCC_A1 (Fe–Sb)

Id: phase:fe-sb: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 3 of 3 calculated diagram(s): 1147.46–1670.46 K, x(Sb) 0–0.01169
Literature: 5 values (5 accepted) from 1 papers
Interactive: phase registry entry

Names (5): corpus: corpus:phase:fe-sb:fcc-a1
paper: paper:10.1016/j.calphad.2014.05.005:γ(Fe)
tdb: tdb:FeSb-08Boa.tdb:FCC_A1, tdb:FeSb-14Li.tdb:FCC_A1, tdb:FeSb-95Pei-LB.tdb:FCC_A1

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

FeSb-08Boa.tdb: FCC_A1, type code %A, sha256 67f3cb0310dccf1b…

28: PHASE FCC_A1 %A 2 1 1 !
29: CONST FCC_A1 : FE% SB : VA : !

FeSb-14Li.tdb: FCC_A1, type code %A, sha256 8512f95ce9460d49…

28: PHASE FCC_A1 %A 2 1 1 !
29: CONST FCC_A1 : FE% SB : VA : !

FeSb-95Pei-LB.tdb: FCC_A1, type code %A, sha256 75ce69413b04b2fe…

29: PHASE FCC_A1 %A 2 1 1 !
30: CONST FCC_A1 : FE% SB : VA : !

Example references (3 of 3; assessments first):

doi:10.1016/j.calphad.2014.05.005 Changrong Li, Daiman Zhu, Yubi Zhang, Zhenmin Du, Cuiping Guo, Junqin Li et al., Thermodynamic assessment of the Co–Fe–Sb system, Calphad 47, 23-34 (2014).
assessment that models this phase; reports values for this phase
doi:10.1016/0364-5916(95)00001-U B. Pei, B. Bjorkman, B. Sundman, B. Jansson, Calphad, 19, 1-15(1995).
assessment that models this phase
doi:10.1016/j.calphad.2008.01.001 D. Boa, S. Hassam, G. Kra, K.P. Kotchi, J. Rogez, The ternary bismuth–iron–antimony system: Experimental phase diagram study and thermodynamic evaluation, Calphad 32, 227-239 (2008).
assessment that models this phase

FESB_B81 (Fe–Sb)

Id: phase:fe-sb:fesb-b81; status assigned
Structure: NiAs · B8_1 · hP4 · P6_3/mmc (194); type st:b8-1-nias-hp4; tier A: standard phase name; confidence high
Stability: stable in 3 of 3 calculated diagram(s): 300–1307.8 K, x(Sb) 0.4032–0.49486
Literature: 17 values (17 accepted) from 2 papers
Interactive: phase registry entry

Names (6): corpus: corpus:phase:fe-sb:fesb-b81
paper: paper:10.1016/0364-5916(95)00001-u:ε-FeSb, paper:10.1016/j.calphad.2008.01.001:ε-FeSb
tdb: tdb:FeSb-08Boa.tdb:FESB_B81, tdb:FeSb-14Li.tdb:FESB_B81, tdb:FeSb-95Pei-LB.tdb:FESB_B81

TDB models of FESB_B81 (3): PHASE and CONSTITUENT statements as written

FeSb-08Boa.tdb: FESB_B81, type code %, sha256 67f3cb0310dccf1b…

49: PHASE FESB_B81 % 2 1 1  !
50: CONST FESB_B81 : FE : FE SB : !

FeSb-14Li.tdb: FESB_B81, type code %, sha256 8512f95ce9460d49…

49: PHASE FESB_B81 % 3 1 1 1  !
50: CONST FESB_B81 : FE% VA : FE VA% : SB : !

FeSb-95Pei-LB.tdb: FESB_B81, type code %, sha256 75ce69413b04b2fe…

50: PHASE FESB_B81 % 2 1 1  !
51: CONST FESB_B81 : FE : FE SB : !

Example references (4 of 4; assessments first):

doi:10.1016/0364-5916(95)00001-U B. Pei, B. Bjorkman, B. Sundman, B. Jansson, Calphad, 19, 1-15(1995).
assessment that models this phase; reports values for this phase
doi:10.1016/j.calphad.2008.01.001 D. Boa, S. Hassam, G. Kra, K.P. Kotchi, J. Rogez, The ternary bismuth–iron–antimony system: Experimental phase diagram study and thermodynamic evaluation, Calphad 32, 227-239 (2008).
assessment that models this phase; reports values for this phase
doi:10.1016/j.calphad.2014.05.005 Changrong Li, Daiman Zhu, Yubi Zhang, Zhenmin Du, Cuiping Guo, Junqin Li et al., Thermodynamic assessment of the Co–Fe–Sb system, Calphad 47, 23-34 (2014).
assessment that models this phase
doi:10.1016/s0925-8388(96)02597-2 Klaus W. Richter, Herbert Ipser, Reinvestigation of the binary Fe-Sb phase diagram, Journal of Alloys and Compounds 247, 247-249 (1997).
cited as the source of values for this phase

FESB2_C18 (Fe–Sb)

Id: phase:fe-sb:fesb2-c18; status assigned
Structure: alpha-FeS2 · C18 · oP6 · Pnnm (58); type st:c18-alpha-fes2-op6; tier A: standard phase name; confidence high
Stoichiometry: Fe 0.3333, Sb 0.6667
Stability: stable in 3 of 3 calculated diagram(s): 300–1021.34 K, x(Sb) 0.66667–0.66667
Literature: 29 values (29 accepted) from 3 papers
Interactive: phase registry entry

Names (7): corpus: corpus:phase:fe-sb:fesb2-c18
paper: paper:10.1016/0364-5916(95)00001-u:FeSb2, paper:10.1016/j.calphad.2008.01.001:FeSb2, paper:10.1016/j.calphad.2014.05.005:ζ2FeSb2
tdb: tdb:FeSb-08Boa.tdb:FESB2_C18, tdb:FeSb-14Li.tdb:FESB2_C18, tdb:FeSb-95Pei-LB.tdb:FESB2_C18

TDB models of FESB2_C18 (3): PHASE and CONSTITUENT statements as written

FeSb-08Boa.tdb: FESB2_C18, type code %, sha256 67f3cb0310dccf1b…

54: PHASE FESB2_C18 % 2 1 2  !
55: CONST FESB2_C18 : FE : SB : !

FeSb-14Li.tdb: FESB2_C18, type code %, sha256 8512f95ce9460d49…

54: PHASE FESB2_C18 % 2 1 2  !
55: CONST FESB2_C18 : FE : SB : !

FeSb-95Pei-LB.tdb: FESB2_C18, type code %, sha256 75ce69413b04b2fe…

55: PHASE FESB2_C18 % 2 1 2  !
56: CONST FESB2_C18 : FE : SB : !

Example references (8 of 8; assessments first):

doi:10.1016/j.calphad.2014.05.005 Changrong Li, Daiman Zhu, Yubi Zhang, Zhenmin Du, Cuiping Guo, Junqin Li et al., Thermodynamic assessment of the Co–Fe–Sb system, Calphad 47, 23-34 (2014).
assessment that models this phase; reports values for this phase
doi:10.1016/0364-5916(95)00001-U B. Pei, B. Bjorkman, B. Sundman, B. Jansson, Calphad, 19, 1-15(1995).
assessment that models this phase; reports values for this phase
doi:10.1016/j.calphad.2008.01.001 D. Boa, S. Hassam, G. Kra, K.P. Kotchi, J. Rogez, The ternary bismuth–iron–antimony system: Experimental phase diagram study and thermodynamic evaluation, Calphad 32, 227-239 (2008).
assessment that models this phase; reports values for this phase
doi:10.1016/s0925-8388(96)02597-2 Klaus W. Richter, Herbert Ipser, Reinvestigation of the binary Fe-Sb phase diagram, Journal of Alloys and Compounds 247, 247-249 (1997).
cited as the source of values for this phase
doi:10.1002/srin.193900887 Werner Geller, Das System Eisen‐Kobalt‐Antimon, Steel Research Intl 13, 263-266 (1939).
cited as the source of values for this phase
doi:10.1002/zaac.19080580102 N. S. Kurnakow, N. S. Konstantinow, Antimonide des Eisens und des Cadmiums, Z. Anorg. Chem. 58, 1-22 (1908).
cited as the source of values for this phase
doi:10.1016/0022-5088(89)90235-x P. Feschotte, D. Lorin, Les systemes binaires Fe-Sb, Co-Sb et Ni-Sb, Journal of the Less Common Metals 155, 255-269 (1989).
cited as the source of values for this phase
doi:10.3891/acta.chem.scand.31a-0517 Arne Kjekshus, Trond Rakke, Pentti Salomaa, H. Svanholt, Paul Hagenmuller, Arne F. Andresen, High Temperature Studies of Marcasite and Arsenopyrite Type Compounds., Acta Chem. Scand. 31a, 517-529 (1977).
cited as the source of values for this phase

HCP_A3 (Fe–Sb)

Id: phase:fe-sb: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:fe-sb:hcp-a3
tdb: tdb:FeSb-08Boa.tdb:HCP_A3, tdb:FeSb-14Li.tdb:HCP_A3, tdb:FeSb-95Pei-LB.tdb:HCP_A3

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

FeSb-08Boa.tdb: HCP_A3, type code %A, sha256 67f3cb0310dccf1b…

38: PHASE HCP_A3 %A 2 1 0.5 !
39: CONST HCP_A3 : FE SB : VA : !

FeSb-14Li.tdb: HCP_A3, type code %A, sha256 8512f95ce9460d49…

38: PHASE HCP_A3 %A 2 1 0.5 !
39: CONST HCP_A3 : FE SB : VA : !

FeSb-95Pei-LB.tdb: HCP_A3, type code %A, sha256 75ce69413b04b2fe…

39: PHASE HCP_A3 %A 2 1 0.5 !
40: CONST HCP_A3 : FE SB : VA : !

Example references (3 of 3; assessments first):

doi:10.1016/0364-5916(95)00001-U B. Pei, B. Bjorkman, B. Sundman, B. Jansson, Calphad, 19, 1-15(1995).
assessment that models this phase
doi:10.1016/j.calphad.2008.01.001 D. Boa, S. Hassam, G. Kra, K.P. Kotchi, J. Rogez, The ternary bismuth–iron–antimony system: Experimental phase diagram study and thermodynamic evaluation, Calphad 32, 227-239 (2008).
assessment that models this phase
doi:10.1016/j.calphad.2014.05.005 Changrong Li, Daiman Zhu, Yubi Zhang, Zhenmin Du, Cuiping Guo, Junqin Li et al., Thermodynamic assessment of the Co–Fe–Sb system, Calphad 47, 23-34 (2014).
assessment that models this phase

LIQUID (Fe–Sb)

Id: phase:fe-sb:liquid; status assigned
Structure: liquid; type st:liquid; liquid; confidence high
Stability: stable in 3 of 3 calculated diagram(s): 897.68–2500 K, x(Sb) 0–1
Literature: 62 values (62 accepted) from 3 papers
Interactive: phase registry entry

Names (8): corpus: corpus:phase:fe-sb:liquid
paper: paper:10.1016/0364-5916(95)00001-u:L, paper:10.1016/j.calphad.2008.01.001:Liq, paper:10.1016/j.calphad.2008.01.001:liquid, paper:10.1016/j.calphad.2014.05.005:L
tdb: tdb:FeSb-08Boa.tdb:LIQUID, tdb:FeSb-14Li.tdb:LIQUID, tdb:FeSb-95Pei-LB.tdb:LIQUID

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

FeSb-08Boa.tdb: LIQUID, type code %, sha256 67f3cb0310dccf1b…

23: PHASE LIQUID:L % 1 1 !
24: CONST LIQUID:L : FE SB : !

FeSb-14Li.tdb: LIQUID, type code %, sha256 8512f95ce9460d49…

23: PHASE LIQUID:L % 1 1 !
24: CONST LIQUID:L : FE SB : !

FeSb-95Pei-LB.tdb: LIQUID, type code %, sha256 75ce69413b04b2fe…

24: PHASE LIQUID:L % 1 1 !
25: CONST LIQUID:L : FE SB : !

Example references (8 of 8; assessments first):

doi:10.1016/j.calphad.2014.05.005 Changrong Li, Daiman Zhu, Yubi Zhang, Zhenmin Du, Cuiping Guo, Junqin Li et al., Thermodynamic assessment of the Co–Fe–Sb system, Calphad 47, 23-34 (2014).
assessment that models this phase; reports values for this phase
doi:10.1016/j.calphad.2008.01.001 D. Boa, S. Hassam, G. Kra, K.P. Kotchi, J. Rogez, The ternary bismuth–iron–antimony system: Experimental phase diagram study and thermodynamic evaluation, Calphad 32, 227-239 (2008).
assessment that models this phase; reports values for this phase
doi:10.1016/0364-5916(95)00001-U B. Pei, B. Bjorkman, B. Sundman, B. Jansson, Calphad, 19, 1-15(1995).
assessment that models this phase; reports values for this phase
doi:10.1016/s0925-8388(96)02597-2 Klaus W. Richter, Herbert Ipser, Reinvestigation of the binary Fe-Sb phase diagram, Journal of Alloys and Compounds 247, 247-249 (1997).
cited as the source of values for this phase
doi:10.1002/zaac.19080580102 N. S. Kurnakow, N. S. Konstantinow, Antimonide des Eisens und des Cadmiums, Z. Anorg. Chem. 58, 1-22 (1908).
cited as the source of values for this phase
doi:10.1016/0022-5088(89)90235-x P. Feschotte, D. Lorin, Les systemes binaires Fe-Sb, Co-Sb et Ni-Sb, Journal of the Less Common Metals 155, 255-269 (1989).
cited as the source of values for this phase
doi:10.1002/srin.193900887 Werner Geller, Das System Eisen‐Kobalt‐Antimon, Steel Research Intl 13, 263-266 (1939).
cited as the source of values for this phase
doi:10.3891/acta.chem.scand.31a-0517 Arne Kjekshus, Trond Rakke, Pentti Salomaa, H. Svanholt, Paul Hagenmuller, Arne F. Andresen, High Temperature Studies of Marcasite and Arsenopyrite Type Compounds., Acta Chem. Scand. 31a, 517-529 (1977).
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}
}