P–Si phases

10 phases (tier A 4, tier C 2, liquid 1, gas 1, needs_review 2); 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 · P–Si system page · Markdown · field reference

Phases of the P–Si system (10)
Phase	Structure	Basis	Stability (calculated)	Literature values	TDB models
DIAMOND_A4 phase:p-si:a4-diamond	C (diamond) · A4 · cF8 · Fd-3m (227)	tier A: standard phase name	stable in 4 of 4 calculated diagram(s): 300–2499.24 K, x(P) 0–0.02402	19	4
BCC_A2 phase:p-si:bcc-a2	W · A2 · cI2 · Im-3m (229)	tier A: standard phase name	not stable in 4 calculated diagram(s)	0	4
FCC_A1 phase:p-si:fcc-a1	Cu · A1 · cF4 · Fm-3m (225)	tier A: standard phase name	not stable in 4 calculated diagram(s)	0	4
GAS phase:p-si:gas	gas	gas	stable in 4 of 4 calculated diagram(s): 704.7–2500 K, x(P) 0.9725–1	0	4
HCP_A3 phase:p-si:hcp-a3	Mg · A3 · hP2 · P6_3/mmc (194)	tier A: standard phase name	not stable in 4 calculated diagram(s)	0	4
LIQUID phase:p-si:liquid	liquid	liquid	stable in 4 of 4 calculated diagram(s): 1397.99–2500 K, x(P) 0–0.40583	26	4
RED_P phase:p-si:p-red		needs_review	stable in 4 of 4 calculated diagram(s): 300–704.7 K, x(P) 1–1	0	4
WHITE_P phase:p-si:p-white		needs_review	not stable in 4 calculated diagram(s)	0	4
SIP phase:p-si:sip	SiP · oC48 · Cmc2_1 (36)	tier C: assessor-stated (Hallstedt 2025 crystallographic table)	stable in 4 of 4 calculated diagram(s): 300–1412.69 K, x(P) 0.5–0.5	43	4
SIP2 phase:p-si:sip2	GeAs2 · oP24 · Pbam (55)	tier C: assessor-stated (Hallstedt 2025 crystallographic table)	stable in 3 of 3 calculated diagram(s): 300–1073.6 K, x(P) 0.66667–0.66667	14	3

DIAMOND_A4 (P–Si)

Id: phase:p-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 4 of 4 calculated diagram(s): 300–2499.24 K, x(P) 0–0.02402
Literature: 19 values (17 accepted) from 2 papers
Interactive: phase registry entry

Names (8): corpus: corpus:phase:p-si:a4-diamond, corpus:phase:p-si:diamond-a4
paper: paper:10.1007/s11669-013-0269-3:(Si), paper:10.1016/j.calphad.2024.102758:Si
tdb: tdb:SiP-04Din-LB.tdb:DIAMOND_A4, tdb:SiP-14Lia.tdb:DIAMOND_A4, tdb:SiP-21Don.tdb:DIAMOND_A4, tdb:SiP-24Fav.tdb:DIAMOND_A4

TDB models of DIAMOND_A4 (4): PHASE and CONSTITUENT statements as written

SiP-04Din-LB.tdb: DIAMOND_A4, type code %, sha256 09f32a6a90905c36…

52: PHASE DIAMOND_A4 % 1 1 !
53: CONST DIAMOND_A4 : P SI% : !

SiP-14Lia.tdb: DIAMOND_A4, type code %, sha256 dbac9d0fa3273459…

55: PHASE DIAMOND_A4 % 1 1 !
56: CONST DIAMOND_A4 : P SI% : !

SiP-21Don.tdb: DIAMOND_A4, type code %, sha256 f90e7e27a7346c0a…

55: PHASE DIAMOND_A4 % 1 1 !
56: CONST DIAMOND_A4 : P SI% : !

SiP-24Fav.tdb: DIAMOND_A4, type code %, sha256 b2cf26569758670d…

58: PHASE DIAMOND_A4 % 1 1 !
59: CONST DIAMOND_A4 : P SI% : !

Example references (5 of 5; assessments first):

doi:10.1016/j.calphad.2024.102758 Simon Favre, Ioana Nuta, Guy Chichignoud, Evelyne Fischer, Christian Chatillon, Critical assessment of the Si-P system: P solubility in the Si-rich region and refining by phosphorus distillation, Calphad 87, 102758 (2024).
assessment that models this phase; reports values for this phase
doi:10.1007/s11669-013-0269-3 Song-Mao Liang, Rainer Schmid-Fetzer, Modeling of Thermodynamic Properties and Phase Equilibria of the Si-P System, J. Phase Equilib. Diffus. 35, 24-35 (2014).
assessment that models this phase; reports values for this phase
doi:10.1007/s11664-021-08861-4 Hongqun Dong, Xiaoma Tao, Mervi Paulasto-Kröckel, Calculation of Phase Diagrams and First-Principles Study of Germanium Impacts on Phosphorus Distribution in Czochralski Silicon, Journal of Elec Materi 50, 4272-4288 (2021).
assessment that models this phase
doi:10.1007/s11837-012-0387-0 In-Ho Jung, Yumin Zhang, Thermodynamic Calculations for the Dephosphorization of Silicon Using Molten Slag, JOM 64, 973-981 (2012).
cited as the source of values for this phase
doi:10.1557/jmr.2011.130 Jafar Safarian, Merete Tangstad, Phase diagram study of the Si–P system in Si-rich region, J. Mater. Res. 26, 1494-1503 (2011).
cited as the source of values for this phase

BCC_A2 (P–Si)

Id: phase:p-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 4 calculated diagram(s)
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (5): corpus: corpus:phase:p-si:bcc-a2
tdb: tdb:SiP-04Din-LB.tdb:BCC_A2, tdb:SiP-14Lia.tdb:BCC_A2, tdb:SiP-21Don.tdb:BCC_A2, tdb:SiP-24Fav.tdb:BCC_A2

TDB models of BCC_A2 (4): PHASE and CONSTITUENT statements as written

SiP-04Din-LB.tdb: BCC_A2, type code %B, sha256 09f32a6a90905c36…

42: PHASE BCC_A2 %B 2 1 3 !
43: CONST BCC_A2 : P SI : VA : !

SiP-14Lia.tdb: BCC_A2, type code %B, sha256 dbac9d0fa3273459…

45: PHASE BCC_A2 %B 2 1 3 !
46: CONST BCC_A2 : P SI : VA : !

SiP-21Don.tdb: BCC_A2, type code %B, sha256 f90e7e27a7346c0a…

45: PHASE BCC_A2 %B 2 1 3 !
46: CONST BCC_A2 : P SI : VA : !

SiP-24Fav.tdb: BCC_A2, type code %B, sha256 b2cf26569758670d…

48: PHASE BCC_A2 %B 2 1 3 !
49: CONST BCC_A2 : P SI : VA : !

Example references (3 of 3; assessments first):

doi:10.1007/s11664-021-08861-4 Hongqun Dong, Xiaoma Tao, Mervi Paulasto-Kröckel, Calculation of Phase Diagrams and First-Principles Study of Germanium Impacts on Phosphorus Distribution in Czochralski Silicon, Journal of Elec Materi 50, 4272-4288 (2021).
assessment that models this phase
doi:10.1007/s11669-013-0269-3 Song-Mao Liang, Rainer Schmid-Fetzer, Modeling of Thermodynamic Properties and Phase Equilibria of the Si-P System, J. Phase Equilib. Diffus. 35, 24-35 (2014).
assessment that models this phase
doi:10.1016/j.calphad.2024.102758 Simon Favre, Ioana Nuta, Guy Chichignoud, Evelyne Fischer, Christian Chatillon, Critical assessment of the Si-P system: P solubility in the Si-rich region and refining by phosphorus distillation, Calphad 87, 102758 (2024).
assessment that models this phase

FCC_A1 (P–Si)

Id: phase:p-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 4 calculated diagram(s)
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (5): corpus: corpus:phase:p-si:fcc-a1
tdb: tdb:SiP-04Din-LB.tdb:FCC_A1, tdb:SiP-14Lia.tdb:FCC_A1, tdb:SiP-21Don.tdb:FCC_A1, tdb:SiP-24Fav.tdb:FCC_A1

TDB models of FCC_A1 (4): PHASE and CONSTITUENT statements as written

SiP-04Din-LB.tdb: FCC_A1, type code %A, sha256 09f32a6a90905c36…

37: PHASE FCC_A1 %A 2 1 1 !
38: CONST FCC_A1 : P SI : VA : !

SiP-14Lia.tdb: FCC_A1, type code %A, sha256 dbac9d0fa3273459…

40: PHASE FCC_A1 %A 2 1 1 !
41: CONST FCC_A1 : P SI : VA : !

SiP-21Don.tdb: FCC_A1, type code %A, sha256 f90e7e27a7346c0a…

40: PHASE FCC_A1 %A 2 1 1 !
41: CONST FCC_A1 : P SI : VA : !

SiP-24Fav.tdb: FCC_A1, type code %A, sha256 b2cf26569758670d…

43: PHASE FCC_A1 %A 2 1 1 !
44: CONST FCC_A1 : P SI : VA : !

Example references (3 of 3; assessments first):

doi:10.1007/s11664-021-08861-4 Hongqun Dong, Xiaoma Tao, Mervi Paulasto-Kröckel, Calculation of Phase Diagrams and First-Principles Study of Germanium Impacts on Phosphorus Distribution in Czochralski Silicon, Journal of Elec Materi 50, 4272-4288 (2021).
assessment that models this phase
doi:10.1007/s11669-013-0269-3 Song-Mao Liang, Rainer Schmid-Fetzer, Modeling of Thermodynamic Properties and Phase Equilibria of the Si-P System, J. Phase Equilib. Diffus. 35, 24-35 (2014).
assessment that models this phase
doi:10.1016/j.calphad.2024.102758 Simon Favre, Ioana Nuta, Guy Chichignoud, Evelyne Fischer, Christian Chatillon, Critical assessment of the Si-P system: P solubility in the Si-rich region and refining by phosphorus distillation, Calphad 87, 102758 (2024).
assessment that models this phase

GAS (P–Si)

Id: phase:p-si:gas; status assigned
Structure: gas; type st:gas; gas; confidence high
Stability: stable in 4 of 4 calculated diagram(s): 704.7–2500 K, x(P) 0.9725–1
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (5): corpus: corpus:phase:p-si:gas
tdb: tdb:SiP-04Din-LB.tdb:GAS, tdb:SiP-14Lia.tdb:GAS, tdb:SiP-21Don.tdb:GAS, tdb:SiP-24Fav.tdb:GAS

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

SiP-04Din-LB.tdb: GAS, type code %, sha256 09f32a6a90905c36…

70: PHASE GAS:G % 1 1 !
71: CONST GAS:G : SI SI2 SI3 P P2 P3 P4 SIP SIP2 SI2P SI2P2 : !

SiP-14Lia.tdb: GAS, type code %, sha256 dbac9d0fa3273459…

78: PHASE GAS:G % 1 1 !
79: CONST GAS:G : SI SI2 SI3 P P2 P3 P4 SIP SIP2 SI2P SI2P2 : !

SiP-21Don.tdb: GAS, type code %, sha256 f90e7e27a7346c0a…

78: PHASE GAS:G % 1 1 !
79: CONST GAS:G : SI SI2 SI3 P P2 P3 P4 SIP SIP2 SI2P SI2P2 : !

SiP-24Fav.tdb: GAS, type code %, sha256 b2cf26569758670d…

81: PHASE GAS:G % 1 1 !
82: CONST GAS:G : SI SI2 SI3 P P2 P3 P4 SIP SIP2 SI2P SI2P2 : !

Example references (3 of 3; assessments first):

doi:10.1007/s11664-021-08861-4 Hongqun Dong, Xiaoma Tao, Mervi Paulasto-Kröckel, Calculation of Phase Diagrams and First-Principles Study of Germanium Impacts on Phosphorus Distribution in Czochralski Silicon, Journal of Elec Materi 50, 4272-4288 (2021).
assessment that models this phase
doi:10.1007/s11669-013-0269-3 Song-Mao Liang, Rainer Schmid-Fetzer, Modeling of Thermodynamic Properties and Phase Equilibria of the Si-P System, J. Phase Equilib. Diffus. 35, 24-35 (2014).
assessment that models this phase
doi:10.1016/j.calphad.2024.102758 Simon Favre, Ioana Nuta, Guy Chichignoud, Evelyne Fischer, Christian Chatillon, Critical assessment of the Si-P system: P solubility in the Si-rich region and refining by phosphorus distillation, Calphad 87, 102758 (2024).
assessment that models this phase

HCP_A3 (P–Si)

Id: phase:p-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 4 calculated diagram(s)
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (5): corpus: corpus:phase:p-si:hcp-a3
tdb: tdb:SiP-04Din-LB.tdb:HCP_A3, tdb:SiP-14Lia.tdb:HCP_A3, tdb:SiP-21Don.tdb:HCP_A3, tdb:SiP-24Fav.tdb:HCP_A3

TDB models of HCP_A3 (4): PHASE and CONSTITUENT statements as written

SiP-04Din-LB.tdb: HCP_A3, type code %A, sha256 09f32a6a90905c36…

47: PHASE HCP_A3 %A 2 1 0.5 !
48: CONST HCP_A3 : P SI : VA : !

SiP-14Lia.tdb: HCP_A3, type code %A, sha256 dbac9d0fa3273459…

50: PHASE HCP_A3 %A 2 1 0.5 !
51: CONST HCP_A3 : P SI : VA : !

SiP-21Don.tdb: HCP_A3, type code %A, sha256 f90e7e27a7346c0a…

50: PHASE HCP_A3 %A 2 1 0.5 !
51: CONST HCP_A3 : P SI : VA : !

SiP-24Fav.tdb: HCP_A3, type code %A, sha256 b2cf26569758670d…

53: PHASE HCP_A3 %A 2 1 0.5 !
54: CONST HCP_A3 : P SI : VA : !

Example references (3 of 3; assessments first):

doi:10.1007/s11664-021-08861-4 Hongqun Dong, Xiaoma Tao, Mervi Paulasto-Kröckel, Calculation of Phase Diagrams and First-Principles Study of Germanium Impacts on Phosphorus Distribution in Czochralski Silicon, Journal of Elec Materi 50, 4272-4288 (2021).
assessment that models this phase
doi:10.1007/s11669-013-0269-3 Song-Mao Liang, Rainer Schmid-Fetzer, Modeling of Thermodynamic Properties and Phase Equilibria of the Si-P System, J. Phase Equilib. Diffus. 35, 24-35 (2014).
assessment that models this phase
doi:10.1016/j.calphad.2024.102758 Simon Favre, Ioana Nuta, Guy Chichignoud, Evelyne Fischer, Christian Chatillon, Critical assessment of the Si-P system: P solubility in the Si-rich region and refining by phosphorus distillation, Calphad 87, 102758 (2024).
assessment that models this phase

LIQUID (P–Si)

Id: phase:p-si:liquid; status assigned
Structure: liquid; type st:liquid; liquid; confidence high
Stability: stable in 4 of 4 calculated diagram(s): 1397.99–2500 K, x(P) 0–0.40583
Literature: 26 values (22 accepted) from 2 papers
Interactive: phase registry entry

Names (9): corpus: corpus:phase:p-si:liquid
paper: paper:10.1007/s11669-013-0269-3:L, paper:10.1007/s11669-013-0269-3:Liquid, paper:10.1007/s11669-013-0269-3:liquid, paper:10.1016/j.calphad.2024.102758:L
tdb: tdb:SiP-04Din-LB.tdb:LIQUID, tdb:SiP-14Lia.tdb:LIQUID, tdb:SiP-21Don.tdb:LIQUID, tdb:SiP-24Fav.tdb:LIQUID

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

SiP-04Din-LB.tdb: LIQUID, type code %, sha256 09f32a6a90905c36…

32: PHASE LIQUID:L % 1 1 !
33: CONST LIQUID:L : P SI : !

SiP-14Lia.tdb: LIQUID, type code %, sha256 dbac9d0fa3273459…

35: PHASE LIQUID:L % 1 1 !
36: CONST LIQUID:L : P SI : !

SiP-21Don.tdb: LIQUID, type code %, sha256 f90e7e27a7346c0a…

35: PHASE LIQUID:L % 1 1 !
36: CONST LIQUID:L : P SI : !

SiP-24Fav.tdb: LIQUID, type code %, sha256 b2cf26569758670d…

38: PHASE LIQUID:L % 1 1 !
39: CONST LIQUID:L : P SI : !

Example references (5 of 5; assessments first):

doi:10.1007/s11669-013-0269-3 Song-Mao Liang, Rainer Schmid-Fetzer, Modeling of Thermodynamic Properties and Phase Equilibria of the Si-P System, J. Phase Equilib. Diffus. 35, 24-35 (2014).
assessment that models this phase; reports values for this phase
doi:10.1016/j.calphad.2024.102758 Simon Favre, Ioana Nuta, Guy Chichignoud, Evelyne Fischer, Christian Chatillon, Critical assessment of the Si-P system: P solubility in the Si-rich region and refining by phosphorus distillation, Calphad 87, 102758 (2024).
assessment that models this phase; reports values for this phase
doi:10.1007/s11664-021-08861-4 Hongqun Dong, Xiaoma Tao, Mervi Paulasto-Kröckel, Calculation of Phase Diagrams and First-Principles Study of Germanium Impacts on Phosphorus Distribution in Czochralski Silicon, Journal of Elec Materi 50, 4272-4288 (2021).
assessment that models this phase
doi:10.1007/s11837-012-0387-0 In-Ho Jung, Yumin Zhang, Thermodynamic Calculations for the Dephosphorization of Silicon Using Molten Slag, JOM 64, 973-981 (2012).
cited as the source of values for this phase
doi:10.1557/jmr.2011.130 Jafar Safarian, Merete Tangstad, Phase diagram study of the Si–P system in Si-rich region, J. Mater. Res. 26, 1494-1503 (2011).
cited as the source of values for this phase

RED_P (P–Si)

Id: phase:p-si:p-red; status needs_review
No structure assigned. Why: name_has_descriptive_tokens:RED; no_structure_token
Candidate (sgte_mmc2): (Red P) — Hallstedt 2025 mmc2 row for RED_P: Red P
Stoichiometry: P 1.0000
Stability: stable in 4 of 4 calculated diagram(s): 300–704.7 K, x(P) 1–1
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (5): corpus: corpus:phase:p-si:p-red
tdb: tdb:SiP-04Din-LB.tdb:RED_P, tdb:SiP-14Lia.tdb:RED_P, tdb:SiP-21Don.tdb:RED_P, tdb:SiP-24Fav.tdb:RED_P

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

SiP-04Din-LB.tdb: RED_P, type code %, sha256 09f32a6a90905c36…

62: PHASE RED_P % 1 1 !
63: CONST RED_P : P : !

SiP-14Lia.tdb: RED_P, type code %, sha256 dbac9d0fa3273459…

65: PHASE RED_P % 1 1 !
66: CONST RED_P : P : !

SiP-21Don.tdb: RED_P, type code %, sha256 f90e7e27a7346c0a…

65: PHASE RED_P % 1 1 !
66: CONST RED_P : P : !

SiP-24Fav.tdb: RED_P, type code %, sha256 b2cf26569758670d…

68: PHASE RED_P % 1 1 !
69: CONST RED_P : P : !

Example references (3 of 3; assessments first):

doi:10.1007/s11664-021-08861-4 Hongqun Dong, Xiaoma Tao, Mervi Paulasto-Kröckel, Calculation of Phase Diagrams and First-Principles Study of Germanium Impacts on Phosphorus Distribution in Czochralski Silicon, Journal of Elec Materi 50, 4272-4288 (2021).
assessment that models this phase
doi:10.1007/s11669-013-0269-3 Song-Mao Liang, Rainer Schmid-Fetzer, Modeling of Thermodynamic Properties and Phase Equilibria of the Si-P System, J. Phase Equilib. Diffus. 35, 24-35 (2014).
assessment that models this phase
doi:10.1016/j.calphad.2024.102758 Simon Favre, Ioana Nuta, Guy Chichignoud, Evelyne Fischer, Christian Chatillon, Critical assessment of the Si-P system: P solubility in the Si-rich region and refining by phosphorus distillation, Calphad 87, 102758 (2024).
assessment that models this phase

WHITE_P (P–Si)

Id: phase:p-si:p-white; status needs_review
No structure assigned. Why: name_has_descriptive_tokens:WHITE; no_structure_token
Candidate (sgte_mmc2): (White P) — Hallstedt 2025 mmc2 row for WHITE_P: White P
Stoichiometry: P 1.0000
Stability: not stable in 4 calculated diagram(s)
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (5): corpus: corpus:phase:p-si:p-white
tdb: tdb:SiP-04Din-LB.tdb:WHITE_P, tdb:SiP-14Lia.tdb:WHITE_P, tdb:SiP-21Don.tdb:WHITE_P, tdb:SiP-24Fav.tdb:WHITE_P

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

SiP-04Din-LB.tdb: WHITE_P, type code %, sha256 09f32a6a90905c36…

57: PHASE WHITE_P % 1 1 !
58: CONST WHITE_P : P : !

SiP-14Lia.tdb: WHITE_P, type code %, sha256 dbac9d0fa3273459…

60: PHASE WHITE_P % 1 1 !
61: CONST WHITE_P : P : !

SiP-21Don.tdb: WHITE_P, type code %, sha256 f90e7e27a7346c0a…

60: PHASE WHITE_P % 1 1 !
61: CONST WHITE_P : P : !

SiP-24Fav.tdb: WHITE_P, type code %, sha256 b2cf26569758670d…

63: PHASE WHITE_P % 1 1 !
64: CONST WHITE_P : P : !

Example references (3 of 3; assessments first):

doi:10.1007/s11664-021-08861-4 Hongqun Dong, Xiaoma Tao, Mervi Paulasto-Kröckel, Calculation of Phase Diagrams and First-Principles Study of Germanium Impacts on Phosphorus Distribution in Czochralski Silicon, Journal of Elec Materi 50, 4272-4288 (2021).
assessment that models this phase
doi:10.1007/s11669-013-0269-3 Song-Mao Liang, Rainer Schmid-Fetzer, Modeling of Thermodynamic Properties and Phase Equilibria of the Si-P System, J. Phase Equilib. Diffus. 35, 24-35 (2014).
assessment that models this phase
doi:10.1016/j.calphad.2024.102758 Simon Favre, Ioana Nuta, Guy Chichignoud, Evelyne Fischer, Christian Chatillon, Critical assessment of the Si-P system: P solubility in the Si-rich region and refining by phosphorus distillation, Calphad 87, 102758 (2024).
assessment that models this phase

SIP (P–Si)

Id: phase:p-si:sip; status assigned
Structure: SiP · oC48 · Cmc2_1 (36); type st:sip-oc48; 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 (mp_oqmd_space_groups_differ, no_structure_token); structure as stated in the SGTE crystallographic table for this phase name and system
Stoichiometry: P 0.5000, Si 0.5000
Stability: stable in 4 of 4 calculated diagram(s): 300–1412.69 K, x(P) 0.5–0.5
Literature: 43 values (39 accepted) from 3 papers
Interactive: phase registry entry

Names (8): corpus: corpus:phase:p-si:sip
paper: paper:10.1007/s11669-013-0269-3:SiP, paper:10.1016/j.calphad.2024.102758:SiP, paper:10.1016/j.surfcoat.2016.01.016:SiP
tdb: tdb:SiP-04Din-LB.tdb:SIP, tdb:SiP-14Lia.tdb:SIP, tdb:SiP-21Don.tdb:SIP, tdb:SiP-24Fav.tdb:SIP

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

SiP-04Din-LB.tdb: SIP, type code %, sha256 09f32a6a90905c36…

67: PHASE SIP % 2 1 1 !
68: CONST SIP : SI : P : !

SiP-14Lia.tdb: SIP, type code %, sha256 dbac9d0fa3273459…

70: PHASE SIP % 2 1 1 !
71: CONST SIP : SI : P : !

SiP-21Don.tdb: SIP, type code %, sha256 f90e7e27a7346c0a…

70: PHASE SIP % 2 1 1 !
71: CONST SIP : SI : P : !

SiP-24Fav.tdb: SIP, type code %, sha256 b2cf26569758670d…

73: PHASE SIP % 2 1 1 !
74: CONST SIP : SI : P : !

Example references (10 of 10; assessments first):

doi:10.1007/s11669-013-0269-3 Song-Mao Liang, Rainer Schmid-Fetzer, Modeling of Thermodynamic Properties and Phase Equilibria of the Si-P System, J. Phase Equilib. Diffus. 35, 24-35 (2014).
assessment that models this phase; reports values for this phase
doi:10.1016/j.calphad.2024.102758 Simon Favre, Ioana Nuta, Guy Chichignoud, Evelyne Fischer, Christian Chatillon, Critical assessment of the Si-P system: P solubility in the Si-rich region and refining by phosphorus distillation, Calphad 87, 102758 (2024).
assessment that models this phase; reports values for this phase
doi:10.1007/s11664-021-08861-4 Hongqun Dong, Xiaoma Tao, Mervi Paulasto-Kröckel, Calculation of Phase Diagrams and First-Principles Study of Germanium Impacts on Phosphorus Distribution in Czochralski Silicon, Journal of Elec Materi 50, 4272-4288 (2021).
assessment that models this phase
doi:10.1007/s11837-012-0387-0 In-Ho Jung, Yumin Zhang, Thermodynamic Calculations for the Dephosphorization of Silicon Using Molten Slag, JOM 64, 973-981 (2012).
cited as the source of values for this phase
doi:10.1016/j.surfcoat.2016.01.016 Ya Liu, Bin Zhou, Wei Lv, Changjun Wu, Xuping Su, Jianhua Wang, Experimental investigation and thermodynamic assessment of the Zn–Si–P system, Surface and Coatings Technology 306, 370-377 (2016).
reports values for this phase
doi:10.1002/9783527618347 M. Binnewies, E Milke, Thermochemical Data of Elements and Compounds, (2002).
cited as the source of values for this phase
doi:10.1002/zaac.19764250313 J. Korb, K. Hein, Dampfdruckuntersuchungen im System ZnSiP, Zeitschrift anorg allge chemie 425, 281-288 (1976).
cited as the source of values for this phase
doi:10.1007/978-3-662-02293-1 Ihsan Barin, Ottmar Knacke, Oswald Kubaschewski, Thermochemical properties of inorganic substances, (1977).
cited as the source of values for this phase
doi:10.1134/s0036024411060057 N. A. Arutyunyan, A. I. Zaitsev, N. G. Shaposhnikov, Analysis of thermodynamic properties and phase equilibria in the Si-P system, Russ. J. Phys. Chem. 85, 911-915 (2011).
cited as the source of values for this phase
doi:10.1557/jmr.2011.130 Jafar Safarian, Merete Tangstad, Phase diagram study of the Si–P system in Si-rich region, J. Mater. Res. 26, 1494-1503 (2011).
cited as the source of values for this phase

SIP2 (P–Si)

Id: phase:p-si:sip2; status assigned
Structure: GeAs2 · oP24 · Pbam (55); type st:geas2-op24; 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 (dft_space_group_55_matches_2_structure_types, no_structure_token); structure as stated in the SGTE crystallographic table for this phase name and system
Stoichiometry: P 0.6667, Si 0.3333
Stability: stable in 3 of 3 calculated diagram(s): 300–1073.6 K, x(P) 0.66667–0.66667
Literature: 14 values (14 accepted) from 3 papers
Interactive: phase registry entry

Names (7): corpus: corpus:phase:p-si:sip2
paper: paper:10.1007/s11669-013-0269-3:SiP2, paper:10.1016/j.calphad.2024.102758:SiP2, paper:10.1016/j.surfcoat.2016.01.016:SiP2
tdb: tdb:SiP-14Lia.tdb:SIP2, tdb:SiP-21Don.tdb:SIP2, tdb:SiP-24Fav.tdb:SIP2

TDB models of SIP2 (3): PHASE and CONSTITUENT statements as written

SiP-14Lia.tdb: SIP2, type code %, sha256 dbac9d0fa3273459…

75: PHASE SIP2 % 2 1 2 !
76: CONST SIP2 : SI : P : !

SiP-21Don.tdb: SIP2, type code %, sha256 f90e7e27a7346c0a…

75: PHASE SIP2 % 2 1 2 !
76: CONST SIP2 : SI : P : !

SiP-24Fav.tdb: SIP2, type code %, sha256 b2cf26569758670d…

78: PHASE SIP2 % 2 1 2 !
79: CONST SIP2 : SI : P : !

Example references (6 of 6; assessments first):

doi:10.1007/s11669-013-0269-3 Song-Mao Liang, Rainer Schmid-Fetzer, Modeling of Thermodynamic Properties and Phase Equilibria of the Si-P System, J. Phase Equilib. Diffus. 35, 24-35 (2014).
assessment that models this phase; reports values for this phase
doi:10.1016/j.calphad.2024.102758 Simon Favre, Ioana Nuta, Guy Chichignoud, Evelyne Fischer, Christian Chatillon, Critical assessment of the Si-P system: P solubility in the Si-rich region and refining by phosphorus distillation, Calphad 87, 102758 (2024).
assessment that models this phase; reports values for this phase
doi:10.1007/s11664-021-08861-4 Hongqun Dong, Xiaoma Tao, Mervi Paulasto-Kröckel, Calculation of Phase Diagrams and First-Principles Study of Germanium Impacts on Phosphorus Distribution in Czochralski Silicon, Journal of Elec Materi 50, 4272-4288 (2021).
assessment that models this phase
doi:10.1007/s11837-012-0387-0 In-Ho Jung, Yumin Zhang, Thermodynamic Calculations for the Dephosphorization of Silicon Using Molten Slag, JOM 64, 973-981 (2012).
cited as the source of values for this phase
doi:10.1016/j.surfcoat.2016.01.016 Ya Liu, Bin Zhou, Wei Lv, Changjun Wu, Xuping Su, Jianhua Wang, Experimental investigation and thermodynamic assessment of the Zn–Si–P system, Surface and Coatings Technology 306, 370-377 (2016).
reports values for this phase
doi:10.3891/acta.chem.scand.21-0593 Tommy Wadsten, M. Vikan, C. Krohn, Åke Nilsson, H. Theorell, R. Blinc et al., The Crystal Structures of SiP2, SiAs2, and GeP., Acta Chem. Scand. 21, 593-594 (1967).
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}
}