Fe–Mo system

113 accepted literature values from 3 paper(s) (experimental 43, model 20, DFT 20, unspecified 30); 4 calculated phase diagram(s). 10 further extracted value(s) not accepted by the reader-agreement checks are only in the JSON/CSV.

Data: JSON · CSV · interactive explorer · interactive phase diagram · phases (11) · papers (bibliography) · Markdown

Accepted values by evidence class
Evidence class	Values
experimental	43
model	20
DFT	20
unspecified	30

Accepted values by property group
Property group	Values
invariant reaction	36
phase transition	2
formation	12
heat capacity / entropy / enthalpy	28
crystal structure	35

Calculated phase diagrams

Binary phase diagrams calculated with pycalphad 0.11.2 from the SGTE binary collection (Hallstedt 2025, CC BY 4.0). Evidence class: model.

Assessments with a calculated phase diagram
TDB file	Assessment	SHA-256	Links
FeMo-14Raj.tdb	V.B. Rajkumar, K.C. Hari Kumar, J. Alloys Compd., 611, 303-12(2014). doi:10.1016/j.jallcom.2014.05.030	`1e573137abd4fa1891eea6295b7ec2e8e32f624c4ecbf782cf2d1faad6d8f2ad`	viewer · TDB · JSON
FeMo-20Tak.tdb	K. Takahashi, K. Ishikawa, M. Fujioka, M. Enoki, H. Ohtani, Tetsu-to-Hagane, 106, 310-20(2020). doi:10.2355/tetsutohagane.TETSU-2019-097	`fb163dec4400b1e5bd709609b7b8c9d93d7128019f37dd4b6987f1e8f6399b07`	viewer · TDB · JSON
FeMo-82Fer.tdb	A. Fernandez Guillermet, Calphad, 6, 127-40 (1982). doi:10.1016/0364-5916(82)90008-6	`f5329b78d65288a2588b2e5a09df824bfc5a1c9874122a799522bcc4ce9f5465`	viewer · TDB · JSON
FeMo-88And-LB.tdb	J.-O. Andersson, Calphad, 12, 9-23(1988). Completely revised from the original Fernandez Guillermet 1982 version. doi:10.1016/0364-5916(88)90025-9	`bfba496e34ac804bb8248b8d3a8e08ab0e2a97b7a2da711ab16cb0628dc4849b`	viewer · TDB · JSON

Calculated three-phase invariants (model, mole fraction of the second component)
TDB file	T (K)	Phases at the invariant
FeMo-14Raj.tdb	1884.54	LIQUID (x(Mo) 0.40615) + SIGMA_D8B (x(Mo) 0.53974) + BCC_A2 (x(Mo) 0.73433)
FeMo-14Raj.tdb	1760.12	LIQUID (x(Mo) 0.29272) + R_PHASE (x(Mo) 0.36062) + SIGMA_D8B (x(Mo) 0.47846)
FeMo-14Raj.tdb	1721.01	BCC_A2 (x(Mo) 0.2321) + LIQUID (x(Mo) 0.23721) + R_PHASE (x(Mo) 0.35772)
FeMo-14Raj.tdb	1644.56	R_PHASE (x(Mo) 0.36545) + MU_D85 (x(Mo) 0.41069) + SIGMA_D8B (x(Mo) 0.49847)
FeMo-14Raj.tdb	1514.26	MU_D85 (x(Mo) 0.44272) + SIGMA_D8B (x(Mo) 0.55509) + BCC_A2 (x(Mo) 0.94156)
FeMo-14Raj.tdb	1472.56	BCC_A2 (x(Mo) 0.13187) + R_PHASE (x(Mo) 0.36121) + MU_D85 (x(Mo) 0.39174)
FeMo-14Raj.tdb	1200.24	BCC_A2 (x(Mo) 0.05725) + C14_LAVES (x(Mo) 0.33703) + MU_D85 (x(Mo) 0.41674)
FeMo-20Tak.tdb	1884.66	LIQUID (x(Mo) 0.41741) + SIGMA_OLD (x(Mo) 0.55478) + BCC_A2 (x(Mo) 0.74304)
FeMo-20Tak.tdb	1771.51	LIQUID (x(Mo) 0.29869) + R_PHASE (x(Mo) 0.38897) + SIGMA_OLD (x(Mo) 0.42926)
FeMo-20Tak.tdb	1726.36	LIQUID (x(Mo) 0.24677) + BCC_A2 (x(Mo) 0.25022) + R_PHASE (x(Mo) 0.36969)
FeMo-20Tak.tdb	1643.61	R_PHASE (x(Mo) 0.38512) + MU_D85 (x(Mo) 0.44927) + SIGMA_OLD (x(Mo) 0.45057)
FeMo-20Tak.tdb	1582.45	MU_D85 (x(Mo) 0.45463) + SIGMA_OLD (x(Mo) 0.56606) + BCC_A2 (x(Mo) 0.91925)
FeMo-20Tak.tdb	1470.31	BCC_A2 (x(Mo) 0.13836) + R_PHASE (x(Mo) 0.33039) + MU_D85 (x(Mo) 0.44452)
FeMo-20Tak.tdb	1165.9	BCC_A2 (x(Mo) 0.04262) + FE2MO_C14 (x(Mo) 0.31927) + MU_D85 (x(Mo) 0.45027)
FeMo-20Tak.tdb	489.11	BCC_A2 (x(Mo) 9.000e-5) + FE2MO_C14 (x(Mo) 0.33332) + MU_D85 (x(Mo) 0.46152)
FeMo-82Fer.tdb	1883.86	LIQUID (x(Mo) 0.40549) + SIGMA_D8B (x(Mo) 0.53656) + BCC_A2 (x(Mo) 0.68648)
FeMo-82Fer.tdb	1761.4	LIQUID (x(Mo) 0.28568) + R_PHASE (x(Mo) 0.37998) + SIGMA_D8B (x(Mo) 0.42912)
FeMo-82Fer.tdb	1719.1	LIQUID (x(Mo) 0.23804) + BCC_A2 (x(Mo) 0.24124) + R_PHASE (x(Mo) 0.36472)
FeMo-82Fer.tdb	1642.73	R_PHASE (x(Mo) 0.38514) + MU_D85 (x(Mo) 0.41559) + SIGMA_D8B (x(Mo) 0.47434)
FeMo-82Fer.tdb	1507.91	MU_D85 (x(Mo) 0.43399) + SIGMA_D8B (x(Mo) 0.56686) + BCC_A2 (x(Mo) 0.93833)
FeMo-82Fer.tdb	1466.05	BCC_A2 (x(Mo) 0.12941) + R_PHASE (x(Mo) 0.33737) + MU_D85 (x(Mo) 0.38951)
FeMo-82Fer.tdb	1204.02	BCC_A2 (x(Mo) 0.0533) + C14_LAVES (x(Mo) 0.33333) + MU_D85 (x(Mo) 0.39526)
FeMo-88And-LB.tdb	1884.66	LIQUID (x(Mo) 0.41741) + SIGMA_OLD (x(Mo) 0.55478) + BCC_A2 (x(Mo) 0.74304)
FeMo-88And-LB.tdb	1770.14	LIQUID (x(Mo) 0.29677) + R_PHASE (x(Mo) 0.3883) + SIGMA_D8B (x(Mo) 0.43201)
FeMo-88And-LB.tdb	1750.19	R_PHASE (x(Mo) 0.3885) + SIGMA_OLD (x(Mo) 0.43306) + SIGMA_D8B (x(Mo) 0.43917)
FeMo-88And-LB.tdb	1726.36	LIQUID (x(Mo) 0.24677) + BCC_A2 (x(Mo) 0.25022) + R_PHASE (x(Mo) 0.36969)
FeMo-88And-LB.tdb	1641.49	R_PHASE (x(Mo) 0.38504) + MU_OLD (x(Mo) 0.41407) + SIGMA_OLD (x(Mo) 0.45091)
FeMo-88And-LB.tdb	1631.54	MU_OLD (x(Mo) 0.41694) + MU_D85 (x(Mo) 0.42017) + SIGMA_OLD (x(Mo) 0.46781)
FeMo-88And-LB.tdb	1548.61	MU_D85 (x(Mo) 0.43541) + SIGMA_OLD (x(Mo) 0.54458) + SIGMA_D8B (x(Mo) 0.54532)
FeMo-88And-LB.tdb	1535.54	SIGMA_D8B (x(Mo) 0.56129) + SIGMA_OLD (x(Mo) 0.56569) + BCC_A2 (x(Mo) 0.92896)
FeMo-88And-LB.tdb	1512.35	MU_D85 (x(Mo) 0.43942) + SIGMA_D8B (x(Mo) 0.56244) + BCC_A2 (x(Mo) 0.93343)
FeMo-88And-LB.tdb	1472.53	MU_OLD (x(Mo) 0.43557) + MU_D85 (x(Mo) 0.44084) + BCC_A2 (x(Mo) 0.94303)
FeMo-88And-LB.tdb	1472.46	BCC_A2 (x(Mo) 0.13911) + R_PHASE (x(Mo) 0.33068) + MU_OLD (x(Mo) 0.3872)
FeMo-88And-LB.tdb	1455.83	BCC_A2 (x(Mo) 0.13265) + MU_D85 (x(Mo) 0.38056) + MU_OLD (x(Mo) 0.38701)
FeMo-88And-LB.tdb	1191.7	BCC_A2 (x(Mo) 0.05594) + C14_LAVES (x(Mo) 0.33101) + MU_D85 (x(Mo) 0.38068)
FeMo-88And-LB.tdb	1189.82	C14_LAVES (x(Mo) 0.33105) + MU_D85 (x(Mo) 0.3812) + MU_OLD (x(Mo) 0.394)
FeMo-88And-LB.tdb	584.88	BCC_A2 (x(Mo) 0.0012) + C14_LAVES (x(Mo) 0.33333) + MU_OLD (x(Mo) 0.45681)

Convex hulls: Materials Project DFT hull · OQMD DFT hull · CALPHAD hull FeMo-14Raj · CALPHAD hull FeMo-82Fer · CALPHAD hull FeMo-88And-LB

Invariant reactions (literature)

Invariant reactions reported in the literature for the Fe–Mo system (36)
T (K)	Reaction / phases	Compositions (mole fraction)	Class	Source	Location
1885	peritectic: liquid + (Mo) <-> σ	liquid: Mo 0.4175; (Mo): Mo 0.7434; σ: Mo 0.5548	model	[1] Zinkevich 2002 cites Andersson 1988 doi	Table 3, p. 4, row 7 report
1885	L + (Mo) ⇌ σ	L: Mo 0.406; (Mo): Mo 0.734; σ: Mo 0.54	unspecified	[2] Rajkumar 2014	Table 2, p. 3, row 5 report
1883	peritectic: liquid + (Mo) <-> σ	liquid: Mo 0.4; (Mo): Mo 0.74; σ: Mo 0.536	experimental	[1] Zinkevich 2002 cites Fernandez-Guillermet 1982	Table 3, p. 4, row 6 report
1883	L + (Mo) ⇌ σ	L: Mo 0.394; (Mo): Mo 0.752; σ: Mo 0.542	experimental	[2] Rajkumar 2014 cites Ueshima 1979	Table 2, p. 3, row 4 report
1815	L + (Mo) ⇌ σ		experimental	[2] Rajkumar 2014 cites Sykes 1926	Table 2, p. 3, row 1 report
1815	L + (Mo) ⇌ σ		experimental	[2] Rajkumar 2014 cites Sykes 1929	Table 2, p. 3, row 2 report
1815	L + (Mo) ⇌ σ		experimental	[2] Rajkumar 2014 cites Takei 1929	Table 2, p. 3, row 3 report
1813	peritectic: liquid + (Mo) <-> σ	liquid: Mo 0.38; (Mo): Mo 0.78; σ: Mo 0.49	experimental	[1] Zinkevich 2002 cites Brewer 1980	Table 3, p. 4, row 5 report
1771	peritectic: liquid + σ <-> R	liquid: Mo 0.2985; σ: Mo 0.429; R: Mo 0.3889	model	[1] Zinkevich 2002 cites Andersson 1988 doi	Table 3, p. 4, row 4 report
1761	L + σ ⇌ R	L: Mo 0.28	experimental	[2] Rajkumar 2014 cites Gibson 1961	Table 2, p. 3, row 6 report
1761	peritectic: liquid + σ <-> R	liquid: Mo 0.275; σ: Mo 0.42; R: Mo 0.374	experimental	[1] Zinkevich 2002 cites Fernandez-Guillermet 1982	Table 3, p. 4, row 3 report
1760	L + σ ⇌ R	L: Mo 0.293; σ: Mo 0.479; R: Mo 0.361	unspecified	[2] Rajkumar 2014	Table 2, p. 3, row 7 report
1726	peritectic: liquid + R <-> bccFe	liquid: Mo 0.2468; R: Mo 0.3696; bccFe: Mo 0.2502	model	[1] Zinkevich 2002 cites Andersson 1988 doi	Table 3, p. 4, row 2 report
1722	L + R ⇌ (αFe)		experimental	[2] Rajkumar 2014 cites Gibson 1961	Table 2, p. 3, row 8 report
1722	peritectic: liquid + R <-> bccFe	liquid: Mo 0.21; bccFe: Mo 0.22	experimental	[1] Zinkevich 2002 cites Gibson 1961	Table 3, p. 4, row 1 report
1721	L + R ⇌ (αFe)	L: Mo 0.237; R: Mo 0.358; (αFe): Mo 0.232	unspecified	[2] Rajkumar 2014	Table 2, p. 3, row 9 report
1645	R + σ ⇌ μ	R: Mo 0.365; σ: Mo 0.499; μ: Mo 0.411	unspecified	[2] Rajkumar 2014	Table 2, p. 3, row 11 report
1643	R + σ ⇌ μ		experimental	[2] Rajkumar 2014 cites Sinha 1967	Table 2, p. 3, row 10 report
1643	peritectoid: R + σ <-> μ	R: Mo 0.37; σ: Mo 0.48; μ: Mo 0.42	experimental	[1] Zinkevich 2002 cites Fernandez-Guillermet 1982	Table 3, p. 4, row 8 report
1641	peritectoid: R + σ <-> μ	R: Mo 0.385; σ: Mo 0.4507; μ: Mo 0.414	model	[1] Zinkevich 2002 cites Andersson 1988 doi	Table 3, p. 4, row 9 report
1514	σ ⇌ μ + (Mo)	σ: Mo 0.555; μ: Mo 0.443; (Mo): Mo 0.942	unspecified	[2] Rajkumar 2014	Table 2, p. 3, row 15 report
1513	σ ⇌ μ + (Mo)		experimental	[2] Rajkumar 2014	Table 2, p. 3, row 14 report
1513	eutectoid: σ <-> (Mo) + μ	σ: Mo 0.5654; (Mo): Mo 0.9333; μ: Mo 0.4338	model	[1] Zinkevich 2002 cites Andersson 1988 doi	Table 3, p. 4, row 13 report
1508	eutectoid: σ <-> (Mo) + μ	σ: Mo 0.56; (Mo): Mo 0.94; μ: Mo 0.43	experimental	[1] Zinkevich 2002 cites Brewer 1980	Table 3, p. 4, row 12 report
1508	σ ⇌ μ + (Mo)		model	[2] Rajkumar 2014 cites Brewer 1980	Table 2, p. 3, row 13 report
1507	σ ⇌ μ + (Mo)		experimental	[2] Rajkumar 2014 cites Heijwegen 1974 doi	Table 2, p. 3, row 12 report
1473	R ⇌ μ + (αFe)		experimental	[2] Rajkumar 2014 cites Heijwegen 1974 doi	Table 2, p. 3, row 16 report
1473	eutectoid: R <-> bccFe + μ	R: Mo 0.35; bccFe: Mo 0.13; μ: Mo 0.385	experimental	[1] Zinkevich 2002 cites Brewer 1980	Table 3, p. 4, row 10 report
1473	R ⇌ μ + (αFe)	R: Mo 0.361; μ: Mo 0.392; (αFe): Mo 0.132	unspecified	[2] Rajkumar 2014	Table 2, p. 3, row 18 report
1473	R ⇌ μ + (αFe)		experimental	[2] Rajkumar 2014 cites Takayamaa 1981	Table 2, p. 3, row 17 report
1472	eutectoid: R <-> bccFe + μ	R: Mo 0.3307; bccFe: Mo 0.1391; μ: Mo 0.3872	model	[1] Zinkevich 2002 cites Andersson 1988 doi	Table 3, p. 4, row 11 report
1223	peritectoid: bccFe + μ <-> λ	bccFe: Mo 0.06; μ: Mo 0.385	experimental	[1] Zinkevich 2002 cites Brewer 1980	Table 3, p. 4, row 14 report
1223	(αFe) + μ ⇌ λ		experimental	[2] Rajkumar 2014 cites Sinha 1967	Table 2, p. 3, row 20 report
1200	(αFe) + μ ⇌ λ	(αFe): Mo 0.057; μ: Mo 0.417; λ: Mo 0.337	unspecified	[2] Rajkumar 2014	Table 2, p. 3, row 21 report
1173	peritectoid: bccFe + μ <-> λ	bccFe: Mo 0.052; μ: Mo 0.3947	model	[1] Zinkevich 2002 cites Andersson 1988 doi	Table 3, p. 4, row 15 report
1123	(αFe) + μ ⇌ λ		experimental	[2] Rajkumar 2014 cites Takayamaa 1981	Table 2, p. 3, row 19 report

Formation enthalpies

Literature values in kJ/mol-atom where the per-atom basis is known. DFT columns: the lowest-energy entry at the same composition (Materials Project 2026.04.13, OQMD v1.8; different energy references, never averaged), from dft_parity.json.

Enthalpies of formation, Fe–Mo system (12)
Phase	Compound	Value	T (K)	Class	MP DFT (kJ/mol-atom)	OQMD DFT (kJ/mol-atom)	Source	Location
Fe2Mo (λ)		-1.534 kJ/mol-atom	298.15	DFT			[2] Rajkumar 2014 cites Mihlakovic	Table 8, p. 6, row 1 report
Fe2Mo (λ)	Fe2Mo	-0.715 kJ/mol-atom	298.15	model	-0.183 (mp-aaackivq)	-0.609 (oqmd-27164)	[2] Rajkumar 2014	Table 8, p. 6, row 3 report
Fe2Mo (λ)		-0.714 kJ/mol-atom	298.15	DFT			[2] Rajkumar 2014	Table 8, p. 6, row 2 report
Fe3Mo2 (R)		2.297 kJ/mol-atom	298.15	DFT			[2] Rajkumar 2014 cites Mihlakovic	Table 8, p. 6, row 6 report
Fe3Mo2 (R)		3.773 kJ/mol-atom	298.15	DFT			[2] Rajkumar 2014	Table 8, p. 6, row 7 report
Fe3Mo2 (R)		4.037 kJ/mol-atom	298.15	model			[2] Rajkumar 2014	Table 8, p. 6, row 8 report
Fe7Mo6 (μ)		-1.418 kJ/mol-atom	298.15	DFT			[2] Rajkumar 2014 cites Mihlakovic	Table 8, p. 6, row 11 report
Fe7Mo6 (μ)	Fe7Mo6	-0.352 kJ/mol-atom	298.15	model	0.281 (mp-aaabgkpm)	-0.13 (oqmd-30226)	[2] Rajkumar 2014	Table 8, p. 6, row 13 report
Fe7Mo6 (μ)		-0.344 kJ/mol-atom	298.15	DFT			[2] Rajkumar 2014	Table 8, p. 6, row 12 report
FeMo (σ)	FeMo	4.218 kJ/mol-atom	298.15	model		8.387 (oqmd-2084776)	[2] Rajkumar 2014	Table 8, p. 6, row 18 report
FeMo (σ)		4.34 kJ/mol-atom	298.15	DFT			[2] Rajkumar 2014	Table 8, p. 6, row 17 report
FeMo (σ)		4.998 kJ/mol-atom	298.15	DFT			[2] Rajkumar 2014 cites Mihlakovic	Table 8, p. 6, row 16 report

Other properties

Phase transition (2)

Phase transition, Fe–Mo system
Property	Value	T (K)	Phases / composition	Class	Source	Location	Quote
Phase transition	1718 K	1718	other: liquid <-> bccFe liquid: Mo 0.202; bccFe: Mo 0.202	experimental	[1] Zinkevich 2002 cites Gibson 1961	Table 3, p. 4, row 16 report
Phase transition	1726 K	1726	other: liquid <-> bccFe liquid: Mo 0.2396; bccFe: Mo 0.2396	model	[1] Zinkevich 2002 cites Andersson 1988 doi	Table 3, p. 4, row 17 report

Heat capacity / entropy / enthalpy (28)

Heat capacity / entropy / enthalpy, Fe–Mo system
Property	Value	T (K)	Phases / composition	Class	Source	Location
Heat capacity printed: Cp_Mo^bcc (2)	27.443 J/mol-atom/K	800	bcc	experimental	[3] Guillermet 1982 cites ref. 13	Table IV, p. 12, row 2 report
Heat capacity printed: Cp_Fe^fcc (1)	30.671 J/mol-atom/K	800	fcc	experimental	[3] Guillermet 1982	Table IV, p. 12, row 1 report
Heat capacity printed: Measured Cp^μ (4)	28.692 J/mol-atom/K	800	μ alloy: Fe 0.605, Mo 0.395	experimental	[3] Guillermet 1982	Table IV, p. 12, row 4 report
Heat capacity printed: Calculated Cp^μ (3)	29.396 J/mol-atom/K	800	μ alloy: Fe 0.605, Mo 0.395	model	[3] Guillermet 1982	Table IV, p. 12, row 3 report
Heat capacity printed: Cp_Mo^bcc (2)	27.891 J/mol-atom/K	900	bcc	experimental	[3] Guillermet 1982 cites ref. 13	Table IV, p. 12, row 6 report
Heat capacity printed: Cp_Fe^fcc (1)	31.506 J/mol-atom/K	900	fcc	experimental	[3] Guillermet 1982	Table IV, p. 12, row 5 report
Heat capacity printed: Calculated Cp^μ (3)	30.078 J/mol-atom/K	900	μ alloy: Fe 0.605, Mo 0.395	model	[3] Guillermet 1982	Table IV, p. 12, row 7 report
Heat capacity printed: Measured Cp^μ (4)	29.76 J/mol-atom/K	900	μ alloy: Fe 0.605, Mo 0.395	experimental	[3] Guillermet 1982	Table IV, p. 12, row 8 report
Heat capacity printed: Cp_Fe^fcc (1)	32.341 J/mol-atom/K	1000	fcc	experimental	[3] Guillermet 1982	Table IV, p. 12, row 9 report
Heat capacity printed: Measured Cp^μ (4)	30.828 J/mol-atom/K	1000	μ alloy: Fe 0.605, Mo 0.395	experimental	[3] Guillermet 1982	Table IV, p. 12, row 12 report
Heat capacity printed: Calculated Cp^μ (3)	30.8 J/mol-atom/K	1000	μ alloy: Fe 0.605, Mo 0.395	model	[3] Guillermet 1982	Table IV, p. 12, row 11 report
Heat capacity printed: Cp_Mo^bcc (2)	28.987 J/mol-atom/K	1100	bcc	experimental	[3] Guillermet 1982 cites ref. 13	Table IV, p. 12, row 14 report
Heat capacity printed: Cp_Fe^fcc (1)	33.176 J/mol-atom/K	1100	fcc	experimental	[3] Guillermet 1982	Table IV, p. 12, row 13 report
Heat capacity printed: Measured Cp^μ (4)	31.896 J/mol-atom/K	1100	μ alloy: Fe 0.605, Mo 0.395	experimental	[3] Guillermet 1982	Table IV, p. 12, row 16 report
Heat capacity printed: Calculated Cp^μ (3)	31.521 J/mol-atom/K	1100	μ alloy: Fe 0.605, Mo 0.395	model	[3] Guillermet 1982	Table IV, p. 12, row 15 report
Heat capacity printed: Cp_Mo^bcc (2)	29.577 J/mol-atom/K	1200	bcc	experimental	[3] Guillermet 1982 cites ref. 13	Table IV, p. 12, row 18 report
Heat capacity printed: Cp_Fe^fcc (1)	34.011 J/mol-atom/K	1200	fcc	experimental	[3] Guillermet 1982	Table IV, p. 12, row 17 report
Heat capacity printed: Calculated Cp^μ (3)	32.259 J/mol-atom/K	1200	μ alloy: Fe 0.605, Mo 0.395	model	[3] Guillermet 1982	Table IV, p. 12, row 19 report
Heat capacity printed: Measured Cp^μ (4)	32.964 J/mol-atom/K	1200	μ alloy: Fe 0.605, Mo 0.395	experimental	[3] Guillermet 1982	Table IV, p. 12, row 20 report
Heat capacity printed: Cp_Mo^bcc (2)	30.221 J/mol-atom/K	1300	bcc	experimental	[3] Guillermet 1982 cites ref. 13	Table IV, p. 12, row 22 report
Heat capacity printed: Cp_Fe^fcc (1)	34.846 J/mol-atom/K	1300	fcc	experimental	[3] Guillermet 1982	Table IV, p. 12, row 21 report
Heat capacity printed: Measured Cp^μ (4)	34.033 J/mol-atom/K	1300	μ alloy: Fe 0.605, Mo 0.395	experimental	[3] Guillermet 1982	Table IV, p. 12, row 24 report
Heat capacity printed: Cp_Mo^bcc (2)	30.92 J/mol-atom/K	1400	bcc	experimental	[3] Guillermet 1982 cites ref. 13	Table IV, p. 12, row 26 report
Heat capacity printed: Cp_Fe^fcc (1)	35.681 J/mol-atom/K	1400	fcc	experimental	[3] Guillermet 1982	Table IV, p. 12, row 25 report
Heat capacity printed: Calculated Cp^μ (3)	33.8 J/mol-atom/K	1400	μ alloy: Fe 0.605, Mo 0.395	model	[3] Guillermet 1982	Table IV, p. 12, row 27 report
Heat capacity printed: Cp_Mo^bcc (2)	31.656 J/mol-atom/K	1500	bcc	experimental	[3] Guillermet 1982 cites ref. 13	Table IV, p. 12, row 30 report
Heat capacity printed: Cp_Fe^fcc (1)	36.516 J/mol-atom/K	1500	fcc	experimental	[3] Guillermet 1982	Table IV, p. 12, row 29 report
Heat capacity printed: Calculated Cp^μ (3)	34.596 J/mol-atom/K	1500	μ alloy: Fe 0.605, Mo 0.395	model	[3] Guillermet 1982	Table IV, p. 12, row 31 report

Crystal structure (35)

Crystal structure, Fe–Mo system
Property	Value	T (K)	Phases / composition	Class	Source	Location
Lattice a printed: a	4.669 Å	298.15	Fe2Mo (λ) alloy: Mo 0.333333	DFT	[2] Rajkumar 2014	Table 8, p. 6, row 5 report
Lattice a printed: a	4.744 Å	298.15	Fe2Mo (λ) alloy: Mo 0.333333	unspecified	[2] Rajkumar 2014	Table 8, p. 6, row 4 report
Lattice a printed: a	10.961 Å	298.15	Fe3Mo2 (R) alloy: Mo 0.4	DFT	[2] Rajkumar 2014	Table 8, p. 6, row 10 report
Lattice a printed: a	10.956 Å	298.15	Fe3Mo2 (R) alloy: Mo 0.4	unspecified	[2] Rajkumar 2014	Table 8, p. 6, row 9 report
Lattice a printed: a	4.766 Å	298.15	Fe7Mo6 (μ) alloy: Mo 0.461538	DFT	[2] Rajkumar 2014	Table 8, p. 6, row 15 report
Lattice a printed: a	4.751 Å	298.15	Fe7Mo6 (μ) alloy: Mo 0.461538	unspecified	[2] Rajkumar 2014	Table 8, p. 6, row 14 report
Lattice a printed: a	9.325 Å	298.15	FeMo (σ) alloy: Mo 0.5	DFT	[2] Rajkumar 2014	Table 8, p. 6, row 20 report
Lattice a printed: a	9.218 Å	298.15	FeMo (σ) alloy: Mo 0.5	unspecified	[2] Rajkumar 2014	Table 8, p. 6, row 19 report
Lattice b printed: b	4.669 Å	298.15	Fe2Mo (λ) alloy: Mo 0.333333	DFT	[2] Rajkumar 2014	Table 8, p. 6, row 5 report
Lattice b printed: b	4.744 Å	298.15	Fe2Mo (λ) alloy: Mo 0.333333	unspecified	[2] Rajkumar 2014	Table 8, p. 6, row 4 report
Lattice b printed: b	10.961 Å	298.15	Fe3Mo2 (R) alloy: Mo 0.4	DFT	[2] Rajkumar 2014	Table 8, p. 6, row 10 report
Lattice b printed: b	10.956 Å	298.15	Fe3Mo2 (R) alloy: Mo 0.4	unspecified	[2] Rajkumar 2014	Table 8, p. 6, row 9 report
Lattice b printed: b	4.766 Å	298.15	Fe7Mo6 (μ) alloy: Mo 0.461538	DFT	[2] Rajkumar 2014	Table 8, p. 6, row 15 report
Lattice b printed: b	4.751 Å	298.15	Fe7Mo6 (μ) alloy: Mo 0.461538	unspecified	[2] Rajkumar 2014	Table 8, p. 6, row 14 report
Lattice b printed: b	9.325 Å	298.15	FeMo (σ) alloy: Mo 0.5	DFT	[2] Rajkumar 2014	Table 8, p. 6, row 20 report
Lattice b printed: b	9.218 Å	298.15	FeMo (σ) alloy: Mo 0.5	unspecified	[2] Rajkumar 2014	Table 8, p. 6, row 19 report
Lattice c printed: c	7.793 Å	298.15	Fe2Mo (λ) alloy: Mo 0.333333	DFT	[2] Rajkumar 2014	Table 8, p. 6, row 5 report
Lattice c printed: c	7.725 Å	298.15	Fe2Mo (λ) alloy: Mo 0.333333	unspecified	[2] Rajkumar 2014	Table 8, p. 6, row 4 report
Lattice c printed: c	19.004 Å	298.15	Fe3Mo2 (R) alloy: Mo 0.4	DFT	[2] Rajkumar 2014	Table 8, p. 6, row 10 report
Lattice c printed: c	19.353 Å	298.15	Fe3Mo2 (R) alloy: Mo 0.375	unspecified	[2] Rajkumar 2014	Table 8, p. 6, row 9 report
Lattice c printed: c	25.807 Å	298.15	Fe7Mo6 (μ) alloy: Mo 0.461538	DFT	[2] Rajkumar 2014	Table 8, p. 6, row 15 report
Lattice c printed: c	25.68 Å	298.15	Fe7Mo6 (μ) alloy: Mo 0.461538	unspecified	[2] Rajkumar 2014	Table 8, p. 6, row 14 report
Lattice c printed: c	4.905 Å	298.15	FeMo (σ) alloy: Mo 0.5	DFT	[2] Rajkumar 2014	Table 8, p. 6, row 20 report
Lattice c printed: c	4.813 Å	298.15	FeMo (σ) alloy: Mo 0.5	unspecified	[2] Rajkumar 2014	Table 8, p. 6, row 19 report
site fractional coordinates			R	unspecified	[2] Rajkumar 2014	Table 7, p. 5, row 14 report
site fractional coordinates			R	unspecified	[2] Rajkumar 2014	Table 7, p. 5, row 12 report
site fractional coordinates			R	unspecified	[2] Rajkumar 2014	Table 7, p. 5, row 20 report
site fractional coordinates			R	unspecified	[2] Rajkumar 2014	Table 7, p. 5, row 17 report
site fractional coordinates			R	unspecified	[2] Rajkumar 2014	Table 7, p. 5, row 21 report
site fractional coordinates			R	unspecified	[2] Rajkumar 2014	Table 7, p. 5, row 15 report
site fractional coordinates			R	unspecified	[2] Rajkumar 2014	Table 7, p. 5, row 18 report
site fractional coordinates			R	unspecified	[2] Rajkumar 2014	Table 7, p. 5, row 22 report
site fractional coordinates			R	unspecified	[2] Rajkumar 2014	Table 7, p. 5, row 16 report
site fractional coordinates			R	unspecified	[2] Rajkumar 2014	Table 7, p. 5, row 13 report
site fractional coordinates			R	unspecified	[2] Rajkumar 2014	Table 7, p. 5, row 19 report

Sources

Reporting papers the values were read from (a value cited from another work names that work in its row).

Matvei Zinkevich, Norbert Mattern, Hans‐Jürgen Seifert, Eberhard Gmelin, A thermodynamic assessment of the Fe‐Gd‐Mo system, Scand Jof Metallurgy 31, 34-51 (2002). doi:10.1034/j.1600-0692.2002.311310106.x
V.B. Rajkumar, K.C. Hari Kumar, Thermodynamic modeling of the Fe–Mo system coupled with experiments and ab initio calculations, Journal of Alloys and Compounds 611, 303-312 (2014). doi:10.1016/j.jallcom.2014.05.030
Armando Fernandez Guillermet, An assessment of the FeMo system, Calphad 6, 127-140 (1982). doi:10.1016/0364-5916(82)90008-6

Please cite

R. Arróyave, J. Saal, D. Shin, ORCHID-Values: thermodynamic and phase-equilibrium values read from the literature (version 2026.10; Version 1, machine-extracted), Zenodo (2026). doi:10.5281/zenodo.23735569
R. Arróyave, J. Saal, D. Shin, ORCHID-Diagrams: calculated binary phase diagrams (version 2026.10), Zenodo (2026). doi:10.5281/zenodo.23735859
R. Arróyave, J. Saal, D. Shin, ORCHID-Hulls: binary convex hulls (Materials Project, OQMD, assessed CALPHAD) (version 2026.10), Zenodo (2026). doi:10.5281/zenodo.23735891
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 the original source of every value you use (paper_citation / paper_doi, and cited_dois for values the paper cites from earlier work); 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). 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_literature_2026,
  author    = {Arr{\'o}yave, Raymundo and Saal, James and Shin, Dongwon},
  title     = {{ORCHID-Values: thermodynamic and phase-equilibrium values read from the literature}},
  version   = {2026.10},
  publisher = {Zenodo},
  year      = {2026},
  doi       = {10.5281/zenodo.23735569},
  url       = {https://doi.org/10.5281/zenodo.23735569},
  note      = {Version 1, machine-extracted}
}

@misc{orchid_phase_diagrams_2026,
  author    = {Arr{\'o}yave, Raymundo and Saal, James and Shin, Dongwon},
  title     = {{ORCHID-Diagrams: calculated binary phase diagrams}},
  version   = {2026.10},
  publisher = {Zenodo},
  year      = {2026},
  doi       = {10.5281/zenodo.23735859},
  url       = {https://doi.org/10.5281/zenodo.23735859}
}

@misc{orchid_hulls_2026,
  author    = {Arr{\'o}yave, Raymundo and Saal, James and Shin, Dongwon},
  title     = {{ORCHID-Hulls: binary convex hulls (Materials Project, OQMD, assessed CALPHAD)}},
  version   = {2026.10},
  publisher = {Zenodo},
  year      = {2026},
  doi       = {10.5281/zenodo.23735891},
  url       = {https://doi.org/10.5281/zenodo.23735891}
}

@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}
}