Mo–O system

256 accepted literature values from 1 paper(s) (experimental 49, model 10, DFT 197); 2 calculated phase diagram(s).

Data: JSON · CSV · interactive explorer · interactive phase diagram · phases (13) · papers (bibliography) · Markdown

Accepted values by evidence class
Evidence class	Values
experimental	49
model	10
DFT	197

Accepted values by property group
Property group	Values
invariant reaction	9
formation	56
crystal structure	191

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
MoO-14Zha.tdb	C. Zhang, M.C. Gao, Y. Yang, F. Zhang, Calphad, 45, 178-87(2014). doi:10.1016/j.calphad.2013.12.006	`8676113eb7b6a334e81dd2f7f612fdcc69bfe483318ac9eaeea477c7ddb7b31f`	viewer · TDB · JSON
MoO-18Cor.tdb	E.C. Corcoran, J.-L. Fleche, N. Dupin, B. Sundman, C. Gueneau, Calphad, 63, 196-211(2018). doi:10.1016/j.calphad.2018.10.002	`ed619144ab732e61ce830b69196bfd20a5df5c3881bb352beff7af544e3041a8`	viewer · TDB · JSON

Calculated three-phase invariants (model, mole fraction of the second component)
TDB file	T (K)	Phases at the invariant
MoO-14Zha.tdb	2562.27	LIQUID (x(O) 0.14701) + MOO2 (x(O) 0.65629) + GAS (x(O) 0.74909)
MoO-14Zha.tdb	2481.38	BCC_A2 (x(O) 0.00922) + LIQUID (x(O) 0.13348) + MOO2 (x(O) 0.6549)
MoO-14Zha.tdb	1576.58	MOO2 (x(O) 0.66667) + OXIDE_L (x(O) 0.73644) + GAS (x(O) 0.75)
MoO-14Zha.tdb	1089.88	MOO2 (x(O) 0.66667) + MO4O11 (x(O) 0.73333) + OXIDE_L (x(O) 0.73942)
MoO-14Zha.tdb	1074.98	OXIDE_L (x(O) 0.74999) + MOO3 (x(O) 0.75) + GAS (x(O) 0.94892)
MoO-14Zha.tdb	1070.09	MO4O11 (x(O) 0.73333) + MO8O23 (x(O) 0.74194) + OXIDE_L (x(O) 0.7422)
MoO-18Cor.tdb	2519.27	ION (x(O) 0.63191) + MOO2 (x(O) 0.66667) + GAS (x(O) 0.74937)
MoO-18Cor.tdb	2329.95	BCC_A2 (x(O) 0.00193) + ION (x(O) 0.41609) + MOO2 (x(O) 0.66667)
MoO-18Cor.tdb	1748.81	MOO2 (x(O) 0.66667) + ION (x(O) 0.74229) + GAS (x(O) 0.75)
MoO-18Cor.tdb	1093.72	MOO2 (x(O) 0.66667) + MO4O11 (x(O) 0.73333) + ION (x(O) 0.74088)
MoO-18Cor.tdb	1068.63	MOO3 (x(O) 0.75) + ION (x(O) 0.75189) + GAS (x(O) 0.98592)
MoO-18Cor.tdb	1068.11	MO4O11 (x(O) 0.73333) + MO8O23 (x(O) 0.74194) + ION (x(O) 0.74384)
MoO-18Cor.tdb	1063.67	MO8O23 (x(O) 0.74194) + MO9O26 (x(O) 0.74286) + ION (x(O) 0.74526)
MoO-18Cor.tdb	1055.64	MO9O26 (x(O) 0.74286) + ION (x(O) 0.74681) + MOO3 (x(O) 0.75)

Convex hulls: Materials Project DFT hull · OQMD DFT hull · CALPHAD hull MoO-14Zha

Invariant reactions (literature)

Invariant reactions reported in the literature for the Mo–O system (9)
T (K)	Reaction / phases	Compositions (mole fraction)	Class	Source	Location
2479.15	eutectic: L=(Mo)+MoO2	MoO2: O 0.666667	model	[1] Zhang 2014	Table 3, p. 5, row 2 report
2423.15	eutectic: L=(Mo)+MoO2	MoO2: O 0.666667	experimental	[1] Zhang 2014 cites Brewer 1990	Table 3, p. 5, row 1 report
1091.15	peritectic: L+MoO2=Mo4O11	MoO2: O 0.666667; Mo4O11: O 0.733333	experimental	[1] Zhang 2014 cites Brewer 1990	Table 3, p. 5, row 3 report
1090.15	peritectic: L+MoO2=Mo4O11	MoO2: O 0.666667; Mo4O11: O 0.733333	model	[1] Zhang 2014	Table 3, p. 5, row 4 report
1070.15	peritectic: L+Mo4O11=Mo8O23	Mo4O11: O 0.733333; Mo8O23: O 0.741935	model	[1] Zhang 2014	Table 3, p. 5, row 5 report
1061.15	peritectic: L+Mo8O23=Mo9O26	Mo8O23: O 0.741935; Mo9O26: O 0.742857	model	[1] Zhang 2014	Table 3, p. 5, row 7 report
1059.15	eutectic: L=Mo9O26+MoO3	Mo9O26: O 0.742857; MoO3: O 0.75	model	[1] Zhang 2014	Table 3, p. 5, row 9 report
1053.15	peritectic: L+Mo8O23=Mo9O26	Mo8O23: O 0.741935; Mo9O26: O 0.742857	experimental	[1] Zhang 2014 cites Phillips 1965	Table 3, p. 5, row 6 report
1051.15	eutectic: L=Mo9O26+MoO3	Mo9O26: O 0.742857; MoO3: O 0.75	experimental	[1] Zhang 2014 cites Phillips 1965	Table 3, p. 5, row 8 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, Mo–O system (56)
Phase	Value	T (K)	Class	Source	Location
Mo17O47·oP128	-196.444 kJ/mol-atom	0	DFT	[1] Zhang 2014	Table 1, p. 2, row 21 report
Mo17O47·oP128	-190.221 kJ/mol-atom	0	DFT	[1] Zhang 2014	Table 1, p. 2, row 22 report
Mo17O47·oP128	-188.619 kJ/mol-atom	0	DFT	[1] Zhang 2014	Table 1, p. 2, row 23 report
Mo17O47·oP128	-186.023 kJ/mol-atom	0	DFT	[1] Zhang 2014	Table 1, p. 2, row 24 report
Mo3O·cF16	54.862 kJ/mol-atom	0	DFT	[1] Zhang 2014	Table 1, p. 2, row 1 report
Mo3O·cF16	59.908 kJ/mol-atom	0	DFT	[1] Zhang 2014	Table 1, p. 2, row 2 report
Mo3O·cF16	60.052 kJ/mol-atom	0	DFT	[1] Zhang 2014	Table 1, p. 2, row 3 report
Mo3O·cF16	62.271 kJ/mol-atom	0	DFT	[1] Zhang 2014	Table 1, p. 2, row 4 report
Mo4O11·oP60	-195.827 kJ/mol-atom	0	DFT	[1] Zhang 2014	Table 1, p. 2, row 16 report
Mo4O11·oP60	-194.254 kJ/mol-atom	0	DFT	[1] Zhang 2014	Table 1, p. 2, row 17 report
Mo4O11·oP60	-190.346 kJ/mol-atom	0	DFT	[1] Zhang 2014	Table 1, p. 2, row 18 report
Mo4O11·oP60	-188.961 kJ/mol-atom	298.15	experimental	[1] Zhang 2014 cites Brewer 1980	Table 1, p. 2, row 20 report
Mo4O11·oP60	-188.91 kJ/mol-atom	0	model	[1] Zhang 2014	Table 1, p. 2, row 15 report
Mo4O11·oP60	-187.055 kJ/mol-atom	0	DFT	[1] Zhang 2014	Table 1, p. 2, row 19 report
Mo8O23·mP124	-194.042 kJ/mol-atom	0	DFT	[1] Zhang 2014	Table 1, p. 2, row 26 report
Mo8O23·mP124	-191.224 kJ/mol-atom	0	DFT	[1] Zhang 2014	Table 1, p. 2, row 27 report
Mo8O23·mP124	-188.435 kJ/mol-atom	0	model	[1] Zhang 2014	Table 1, p. 2, row 25 report
Mo8O23·mP124	-188.162 kJ/mol-atom	298.15	experimental	[1] Zhang 2014 cites Brewer 1980	Table 1, p. 2, row 30 report
Mo8O23·mP124	-187.847 kJ/mol-atom	0	DFT	[1] Zhang 2014	Table 1, p. 2, row 28 report
Mo8O23·mP124	-184.798 kJ/mol-atom	0	DFT	[1] Zhang 2014	Table 1, p. 2, row 29 report
Mo8O23·mP62	-194.148 kJ/mol-atom	0	DFT	[1] Zhang 2014	Table 1, p. 2, row 31 report
Mo8O23·mP62	-191.437 kJ/mol-atom	0	DFT	[1] Zhang 2014	Table 1, p. 2, row 32 report
Mo8O23·mP62	-187.934 kJ/mol-atom	0	DFT	[1] Zhang 2014	Table 1, p. 2, row 33 report
Mo8O23·mP62	-185 kJ/mol-atom	0	DFT	[1] Zhang 2014	Table 1, p. 2, row 34 report
Mo9O26·mC280	-193.8 kJ/mol-atom	0	DFT	[1] Zhang 2014	Table 1, p. 2, row 36 report
Mo9O26·mC280	-191.166 kJ/mol-atom	0	DFT	[1] Zhang 2014	Table 1, p. 2, row 37 report
Mo9O26·mC280	-187.567 kJ/mol-atom	0	DFT	[1] Zhang 2014	Table 1, p. 2, row 38 report
Mo9O26·mC280	-187.494 kJ/mol-atom	0	model	[1] Zhang 2014	Table 1, p. 2, row 35 report
Mo9O26·mC280	-187.49 kJ/mol-atom	298.15	experimental	[1] Zhang 2014 cites Brewer 1980	Table 1, p. 2, row 40 report
Mo9O26·mC280	-184.769 kJ/mol-atom	0	DFT	[1] Zhang 2014	Table 1, p. 2, row 39 report
Mo9O26·mP70	-193.858 kJ/mol-atom	0	DFT	[1] Zhang 2014	Table 1, p. 2, row 41 report
Mo9O26·mP70	-191.224 kJ/mol-atom	0	DFT	[1] Zhang 2014	Table 1, p. 2, row 42 report
Mo9O26·mP70	-187.751 kJ/mol-atom	0	DFT	[1] Zhang 2014	Table 1, p. 2, row 43 report
Mo9O26·mP70	-184.798 kJ/mol-atom	0	DFT	[1] Zhang 2014	Table 1, p. 2, row 44 report
MoO2·mP12	-204.366 kJ/mol-atom	0	DFT	[1] Zhang 2014	Table 1, p. 2, row 8 report
MoO2·mP12	-197.427 kJ/mol-atom	298.15	experimental	[1] Zhang 2014 cites Jacob 2007 doi	Table 1, p. 2, row 14 report
MoO2·mP12	-197.167 kJ/mol-atom	298.15	experimental	[1] Zhang 2014 cites H 1986	Table 1, p. 2, row 13 report
MoO2·mP12	-196.433 kJ/mol-atom	0	model	[1] Zhang 2014	Table 1, p. 2, row 7 report
MoO2·mP12	-195.933 kJ/mol-atom	298.15	experimental	[1] Zhang 2014 cites Brewer 1980	Table 1, p. 2, row 12 report
MoO2·mP12	-191.736 kJ/mol-atom	0	DFT	[1] Zhang 2014	Table 1, p. 2, row 10 report
MoO2·mP12	-190.027 kJ/mol-atom	0	DFT	[1] Zhang 2014	Table 1, p. 2, row 11 report
MoO2·mP12	-188.503 kJ/mol-atom	0	DFT	[1] Zhang 2014	Table 1, p. 2, row 9 report
MoO3·mP32	-190.78 kJ/mol-atom	0	DFT	[1] Zhang 2014	Table 1, p. 2, row 45 report
MoO3·mP32	-188.272 kJ/mol-atom	0	DFT	[1] Zhang 2014	Table 1, p. 2, row 46 report
MoO3·mP32	-184.586 kJ/mol-atom	0	DFT	[1] Zhang 2014	Table 1, p. 2, row 47 report
MoO3·mP32	-183.235 kJ/mol-atom	0	DFT	[1] Zhang 2014	Table 1, p. 2, row 48 report
MoO3·mP8	-186.217 kJ/mol-atom	0	DFT	[1] Zhang 2014	Table 1, p. 2, row 49 report
MoO3·mP8	-185.329 kJ/mol-atom	0	DFT	[1] Zhang 2014	Table 1, p. 2, row 50 report
MoO3·mP8	-181.469 kJ/mol-atom	0	DFT	[1] Zhang 2014	Table 1, p. 2, row 52 report
MoO3·mP8	-180.678 kJ/mol-atom	0	DFT	[1] Zhang 2014	Table 1, p. 2, row 51 report
MoO3·oP16	-186.236 kJ/mol-atom	0	DFT	[1] Zhang 2014	Table 1, p. 2, row 54 report
MoO3·oP16	-186.15 kJ/mol-atom	0	model	[1] Zhang 2014	Table 1, p. 2, row 53 report
MoO3·oP16	-185.57 kJ/mol-atom	0	DFT	[1] Zhang 2014	Table 1, p. 2, row 55 report
MoO3·oP16	-184.418 kJ/mol-atom	298.15	experimental	[1] Zhang 2014 cites Brewer 1980	Table 1, p. 2, row 58 report
MoO3·oP16	-181.488 kJ/mol-atom	0	DFT	[1] Zhang 2014	Table 1, p. 2, row 57 report
MoO3·oP16	-180.765 kJ/mol-atom	0	DFT	[1] Zhang 2014	Table 1, p. 2, row 56 report

Other properties

Crystal structure (191)

Crystal structure, Mo–O system
Property	Value	T (K)	Phases / composition	Class	Source	Location
Lattice a	21.8467 Å	0	Mo17O47 alloy: O 0.734375	DFT	[1] Zhang 2014	Table 4, p. 6, row 19 report
Lattice a	21.9034 Å	0	Mo17O47 alloy: O 0.734375	DFT	[1] Zhang 2014	Table 4, p. 6, row 16 report
Lattice a	22.0127 Å	0	Mo17O47 alloy: O 0.734375	DFT	[1] Zhang 2014	Table 4, p. 6, row 18 report
Lattice a	21.905 Å	0	Mo17O47 alloy: O 0.734375	DFT	[1] Zhang 2014	Table 4, p. 6, row 20 report
Lattice a	6.0226 Å	0	Mo3O alloy: O 0.25	DFT	[1] Zhang 2014	Table 4, p. 6, row 1 report
Lattice a	4.2294 Å	0	Mo3O alloy: O 0.25	DFT	[1] Zhang 2014	Table 4, p. 6, row 4 report
Lattice a	6.0895 Å	0	Mo3O alloy: O 0.25	DFT	[1] Zhang 2014	Table 4, p. 6, row 3 report
Lattice a	6.0594 Å	0	Mo3O alloy: O 0.25	DFT	[1] Zhang 2014	Table 4, p. 6, row 5 report
Lattice a	24.6225 Å	0	Mo4O11 alloy: O 0.733333	DFT	[1] Zhang 2014	Table 4, p. 6, row 11 report
Lattice a	24.8437 Å	0	Mo4O11 alloy: O 0.733333	DFT	[1] Zhang 2014	Table 4, p. 6, row 13 report
Lattice a	24.4321 Å	0	Mo4O11 alloy: O 0.733333	DFT	[1] Zhang 2014	Table 4, p. 6, row 14 report
Lattice a	24.7242 Å	0	Mo4O11 alloy: O 0.733333	DFT	[1] Zhang 2014	Table 4, p. 6, row 15 report
Lattice a	13.5454 Å	0	Mo8O23 alloy: O 0.741935	DFT	[1] Zhang 2014	Table 4, p. 6, row 24 report
Lattice a	13.5447 Å	0	Mo8O23 alloy: O 0.741935	DFT	[1] Zhang 2014	Table 4, p. 6, row 25 report
Lattice a	13.5629 Å	0	Mo8O23 alloy: O 0.741935	DFT	[1] Zhang 2014	Table 4, p. 6, row 23 report
Lattice a	13.5441 Å	0	Mo8O23 alloy: O 0.741935	DFT	[1] Zhang 2014	Table 4, p. 6, row 28 report
Lattice a	13.5296 Å	0	Mo8O23 alloy: O 0.741935	DFT	[1] Zhang 2014	Table 4, p. 6, row 30 report
Lattice a	13.5275 Å	0	Mo8O23 alloy: O 0.741935	DFT	[1] Zhang 2014	Table 4, p. 6, row 26 report
Lattice a	13.5146 Å	0	Mo8O23 alloy: O 0.741935	DFT	[1] Zhang 2014	Table 4, p. 6, row 29 report
Lattice a	13.5387 Å	0	Mo8O23 alloy: O 0.741935	DFT	[1] Zhang 2014	Table 4, p. 6, row 21 report
Lattice a	14.7325 Å	0	Mo9O26 alloy: O 0.742857	DFT	[1] Zhang 2014	Table 4, p. 6, row 36 report
Lattice a	29.4888 Å	0	Mo9O26 alloy: O 0.742857	DFT	[1] Zhang 2014	Table 4, p. 6, row 34 report
Lattice a	14.7035 Å	0	Mo9O26 alloy: O 0.742857	DFT	[1] Zhang 2014	Table 4, p. 6, row 39 report
Lattice a	29.4466 Å	0	Mo9O26 alloy: O 0.742857	DFT	[1] Zhang 2014	Table 4, p. 6, row 31 report
Lattice a	29.4872 Å	0	Mo9O26 alloy: O 0.742857	DFT	[1] Zhang 2014	Table 4, p. 6, row 33 report
Lattice a	14.7624 Å	0	Mo9O26 alloy: O 0.742857	DFT	[1] Zhang 2014	Table 4, p. 6, row 38 report
Lattice a	14.7544 Å	0	Mo9O26 alloy: O 0.742857	DFT	[1] Zhang 2014	Table 4, p. 6, row 40 report
Lattice a	29.473 Å	0	Mo9O26 alloy: O 0.742857	DFT	[1] Zhang 2014	Table 4, p. 6, row 35 report
Lattice a	5.6501 Å	0	MoO2 alloy: O 0.666667	DFT	[1] Zhang 2014	Table 4, p. 6, row 10 report
Lattice a	5.5814 Å	0	MoO2 alloy: O 0.666667	DFT	[1] Zhang 2014	Table 4, p. 6, row 6 report
Lattice a	5.6428 Å	0	MoO2 alloy: O 0.666667	DFT	[1] Zhang 2014	Table 4, p. 6, row 8 report
Lattice a	5.551 Å	0	MoO2 alloy: O 0.666667	DFT	[1] Zhang 2014	Table 4, p. 6, row 9 report
Lattice a	8.0262 Å	0	MoO3 alloy: O 0.75	DFT	[1] Zhang 2014	Table 4, p. 6, row 48 report
Lattice a	7.586 Å	0	MoO3 alloy: O 0.75	DFT	[1] Zhang 2014	Table 4, p. 6, row 49 report
Lattice a	3.89355 Å	0	MoO3 alloy: O 0.75	DFT	[1] Zhang 2014	Table 4, p. 6, row 41 report
Lattice a	3.96769 Å	0	MoO3 alloy: O 0.75	DFT	[1] Zhang 2014	Table 4, p. 6, row 43 report
Lattice a	13.6001 Å	0	MoO3 alloy: O 0.75	DFT	[1] Zhang 2014	Table 4, p. 6, row 54 report
Lattice a	14.8044 Å	0	MoO3 alloy: O 0.75	DFT	[1] Zhang 2014	Table 4, p. 6, row 51 report
Lattice a	3.93323 Å	0	MoO3 alloy: O 0.75	DFT	[1] Zhang 2014	Table 4, p. 6, row 45 report
Lattice a	7.7116 Å	0	MoO3 alloy: O 0.75	DFT	[1] Zhang 2014	Table 4, p. 6, row 50 report
Lattice a	13.9848 Å	0	MoO3 alloy: O 0.75	DFT	[1] Zhang 2014	Table 4, p. 6, row 55 report
Lattice a	13.881 Å		MoO3 alloy: O 0.75	DFT	[1] Zhang 2014 cites Ding 2012 doi	Table 4, p. 6, row 56 report
Lattice a	3.83865 Å	0	MoO3 alloy: O 0.75	DFT	[1] Zhang 2014	Table 4, p. 6, row 44 report
Lattice a	15.2615 Å	0	MoO3 alloy: O 0.75	DFT	[1] Zhang 2014	Table 4, p. 6, row 53 report
Lattice a	7.8324 Å	0	MoO3 alloy: O 0.75	DFT	[1] Zhang 2014	Table 4, p. 6, row 46 report
Lattice a	21.615 Å	298.15	Mo17O47 alloy: O 0.734375	experimental	[1] Zhang 2014 cites Kihlborg 1963	Table 4, p. 6, row 17 report
Lattice a	3.126 Å	298.15	Mo3O alloy: O 0.25	experimental	[1] Zhang 2014 cites Schonberg 1954 doi	Table 4, p. 6, row 2 report
Lattice a	24.487 Å	298.15	Mo4O11 alloy: O 0.733333	experimental	[1] Zhang 2014 cites Ghedira 1985 doi	Table 4, p. 6, row 12 report
Lattice a	13.384 Å	298.15	Mo8O23 alloy: O 0.741935	experimental	[1] Zhang 2014 cites Fujishita 1987 doi	Table 4, p. 6, row 27 report
Lattice a	13.39 Å	298.15	Mo8O23 alloy: O 0.741935	experimental	[1] Zhang 2014 cites Fujishita 1987 doi	Table 4, p. 6, row 22 report
Lattice a	29.194 Å	298.15	Mo9O26 alloy: O 0.742857	experimental	[1] Zhang 2014 cites Sato 1987 doi	Table 4, p. 6, row 32 report
Lattice a	14.45 Å	298.15	Mo9O26 alloy: O 0.742857	experimental	[1] Zhang 2014 cites Magneli 1948 doi	Table 4, p. 6, row 37 report
Lattice a	5.6109 Å	298.15	MoO2 alloy: O 0.666667	experimental	[1] Zhang 2014 cites Brandt 1967 doi	Table 4, p. 6, row 7 report
Lattice a	7.6898 Å	298.15	MoO3 alloy: O 0.75	experimental	[1] Zhang 2014 cites Parise 1987 doi	Table 4, p. 6, row 47 report
Lattice a	3.954 Å	298.15	MoO3 alloy: O 0.75	experimental	[1] Zhang 2014 cites McCarron 1991 doi	Table 4, p. 6, row 42 report
Lattice a	13.855 Å	298.15	MoO3 alloy: O 0.75	experimental	[1] Zhang 2014 cites Kihlborg 1963	Table 4, p. 6, row 52 report
Lattice b	19.7107 Å	0	Mo17O47 alloy: O 0.734375	DFT	[1] Zhang 2014	Table 4, p. 6, row 19 report
Lattice b	19.8658 Å	0	Mo17O47 alloy: O 0.734375	DFT	[1] Zhang 2014	Table 4, p. 6, row 16 report
Lattice b	19.9886 Å	0	Mo17O47 alloy: O 0.734375	DFT	[1] Zhang 2014	Table 4, p. 6, row 18 report
Lattice b	19.8818 Å	0	Mo17O47 alloy: O 0.734375	DFT	[1] Zhang 2014	Table 4, p. 6, row 20 report
Lattice b	6.7806 Å	0	Mo4O11 alloy: O 0.733333	DFT	[1] Zhang 2014	Table 4, p. 6, row 11 report
Lattice b	6.8409 Å	0	Mo4O11 alloy: O 0.733333	DFT	[1] Zhang 2014	Table 4, p. 6, row 13 report
Lattice b	6.729 Å	0	Mo4O11 alloy: O 0.733333	DFT	[1] Zhang 2014	Table 4, p. 6, row 14 report
Lattice b	6.8054 Å	0	Mo4O11 alloy: O 0.733333	DFT	[1] Zhang 2014	Table 4, p. 6, row 15 report
Lattice b	7.72653 Å	0	Mo8O23 alloy: O 0.741935	DFT	[1] Zhang 2014	Table 4, p. 6, row 24 report
Lattice b	8.14868 Å	0	Mo8O23 alloy: O 0.741935	DFT	[1] Zhang 2014	Table 4, p. 6, row 25 report
Lattice b	8.33058 Å	0	Mo8O23 alloy: O 0.741935	DFT	[1] Zhang 2014	Table 4, p. 6, row 23 report
Lattice b	4.18076 Å	0	Mo8O23 alloy: O 0.741935	DFT	[1] Zhang 2014	Table 4, p. 6, row 28 report
Lattice b	4.08413 Å	0	Mo8O23 alloy: O 0.741935	DFT	[1] Zhang 2014	Table 4, p. 6, row 30 report
Lattice b	3.9829 Å	0	Mo8O23 alloy: O 0.741935	DFT	[1] Zhang 2014	Table 4, p. 6, row 26 report
Lattice b	3.88404 Å	0	Mo8O23 alloy: O 0.741935	DFT	[1] Zhang 2014	Table 4, p. 6, row 29 report
Lattice b	7.9581 Å	0	Mo8O23 alloy: O 0.741935	DFT	[1] Zhang 2014	Table 4, p. 6, row 21 report
Lattice b	3.9839 Å	0	Mo9O26 alloy: O 0.742857	DFT	[1] Zhang 2014	Table 4, p. 6, row 36 report
Lattice b	7.7119 Å	0	Mo9O26 alloy: O 0.742857	DFT	[1] Zhang 2014	Table 4, p. 6, row 34 report
Lattice b	3.89108 Å	0	Mo9O26 alloy: O 0.742857	DFT	[1] Zhang 2014	Table 4, p. 6, row 39 report
Lattice b	7.9669 Å	0	Mo9O26 alloy: O 0.742857	DFT	[1] Zhang 2014	Table 4, p. 6, row 31 report
Lattice b	8.378 Å	0	Mo9O26 alloy: O 0.742857	DFT	[1] Zhang 2014	Table 4, p. 6, row 33 report
Lattice b	4.1643 Å	0	Mo9O26 alloy: O 0.742857	DFT	[1] Zhang 2014	Table 4, p. 6, row 38 report
Lattice b	4.06321 Å	0	Mo9O26 alloy: O 0.742857	DFT	[1] Zhang 2014	Table 4, p. 6, row 40 report
Lattice b	8.1417 Å	0	Mo9O26 alloy: O 0.742857	DFT	[1] Zhang 2014	Table 4, p. 6, row 35 report
Lattice b	4.8821 Å	0	MoO2 alloy: O 0.666667	DFT	[1] Zhang 2014	Table 4, p. 6, row 10 report
Lattice b	4.8811 Å	0	MoO2 alloy: O 0.666667	DFT	[1] Zhang 2014	Table 4, p. 6, row 6 report
Lattice b	4.9186 Å	0	MoO2 alloy: O 0.666667	DFT	[1] Zhang 2014	Table 4, p. 6, row 8 report
Lattice b	4.8507 Å	0	MoO2 alloy: O 0.666667	DFT	[1] Zhang 2014	Table 4, p. 6, row 9 report
Lattice b	7.8336 Å	0	MoO3 alloy: O 0.75	DFT	[1] Zhang 2014	Table 4, p. 6, row 48 report
Lattice b	7.3877 Å	0	MoO3 alloy: O 0.75	DFT	[1] Zhang 2014	Table 4, p. 6, row 49 report
Lattice b	3.69778 Å	0	MoO3 alloy: O 0.75	DFT	[1] Zhang 2014	Table 4, p. 6, row 41 report
Lattice b	3.70349 Å	0	MoO3 alloy: O 0.75	DFT	[1] Zhang 2014	Table 4, p. 6, row 43 report
Lattice b	3.6921 Å	0	MoO3 alloy: O 0.75	DFT	[1] Zhang 2014	Table 4, p. 6, row 54 report
Lattice b	3.6971 Å	0	MoO3 alloy: O 0.75	DFT	[1] Zhang 2014	Table 4, p. 6, row 51 report
Lattice b	3.70669 Å	0	MoO3 alloy: O 0.75	DFT	[1] Zhang 2014	Table 4, p. 6, row 45 report
Lattice b	7.4856 Å	0	MoO3 alloy: O 0.75	DFT	[1] Zhang 2014	Table 4, p. 6, row 50 report
Lattice b	3.7029 Å	0	MoO3 alloy: O 0.75	DFT	[1] Zhang 2014	Table 4, p. 6, row 55 report
Lattice b	3.711 Å		MoO3 alloy: O 0.75	DFT	[1] Zhang 2014 cites Ding 2012 doi	Table 4, p. 6, row 56 report
Lattice b	3.69094 Å	0	MoO3 alloy: O 0.75	DFT	[1] Zhang 2014	Table 4, p. 6, row 44 report
Lattice b	3.7027 Å	0	MoO3 alloy: O 0.75	DFT	[1] Zhang 2014	Table 4, p. 6, row 53 report
Lattice b	7.6452 Å	0	MoO3 alloy: O 0.75	DFT	[1] Zhang 2014	Table 4, p. 6, row 46 report
Lattice b	19.632 Å	298.15	Mo17O47 alloy: O 0.734375	experimental	[1] Zhang 2014 cites Kihlborg 1963	Table 4, p. 6, row 17 report
Lattice b	6.752 Å	298.15	Mo4O11 alloy: O 0.733333	experimental	[1] Zhang 2014 cites Ghedira 1985 doi	Table 4, p. 6, row 12 report
Lattice b	4.0616 Å	298.15	Mo8O23 alloy: O 0.741935	experimental	[1] Zhang 2014 cites Fujishita 1987 doi	Table 4, p. 6, row 27 report
Lattice b	8.062 Å	298.15	Mo8O23 alloy: O 0.741935	experimental	[1] Zhang 2014 cites Fujishita 1987 doi	Table 4, p. 6, row 22 report
Lattice b	8.083 Å	298.15	Mo9O26 alloy: O 0.742857	experimental	[1] Zhang 2014 cites Sato 1987 doi	Table 4, p. 6, row 32 report
Lattice b	4.03 Å	298.15	Mo9O26 alloy: O 0.742857	experimental	[1] Zhang 2014 cites Magneli 1948 doi	Table 4, p. 6, row 37 report
Lattice b	4.8562 Å	298.15	MoO2 alloy: O 0.666667	experimental	[1] Zhang 2014 cites Brandt 1967 doi	Table 4, p. 6, row 7 report
Lattice b	7.478 Å	298.15	MoO3 alloy: O 0.75	experimental	[1] Zhang 2014 cites Parise 1987 doi	Table 4, p. 6, row 47 report
Lattice b	3.687 Å	298.15	MoO3 alloy: O 0.75	experimental	[1] Zhang 2014 cites McCarron 1991 doi	Table 4, p. 6, row 42 report
Lattice b	3.6964 Å	298.15	MoO3 alloy: O 0.75	experimental	[1] Zhang 2014 cites Kihlborg 1963	Table 4, p. 6, row 52 report
Lattice c	3.8181 Å	0	Mo17O47 alloy: O 0.734375	DFT	[1] Zhang 2014	Table 4, p. 6, row 19 report
Lattice c	3.8777 Å	0	Mo17O47 alloy: O 0.734375	DFT	[1] Zhang 2014	Table 4, p. 6, row 16 report
Lattice c	3.9814 Å	0	Mo17O47 alloy: O 0.734375	DFT	[1] Zhang 2014	Table 4, p. 6, row 18 report
Lattice c	3.9294 Å	0	Mo17O47 alloy: O 0.734375	DFT	[1] Zhang 2014	Table 4, p. 6, row 20 report
Lattice c	5.496 Å	0	Mo4O11 alloy: O 0.733333	DFT	[1] Zhang 2014	Table 4, p. 6, row 11 report
Lattice c	5.5453 Å	0	Mo4O11 alloy: O 0.733333	DFT	[1] Zhang 2014	Table 4, p. 6, row 13 report
Lattice c	5.45 Å	0	Mo4O11 alloy: O 0.733333	DFT	[1] Zhang 2014	Table 4, p. 6, row 14 report
Lattice c	5.5177 Å	0	Mo4O11 alloy: O 0.733333	DFT	[1] Zhang 2014	Table 4, p. 6, row 15 report
Lattice c	17.0734 Å	0	Mo8O23 alloy: O 0.741935	DFT	[1] Zhang 2014	Table 4, p. 6, row 24 report
Lattice c	17.1083 Å	0	Mo8O23 alloy: O 0.741935	DFT	[1] Zhang 2014	Table 4, p. 6, row 25 report
Lattice c	17.1801 Å	0	Mo8O23 alloy: O 0.741935	DFT	[1] Zhang 2014	Table 4, p. 6, row 23 report
Lattice c	17.1426 Å	0	Mo8O23 alloy: O 0.741935	DFT	[1] Zhang 2014	Table 4, p. 6, row 28 report
Lattice c	17.0781 Å	0	Mo8O23 alloy: O 0.741935	DFT	[1] Zhang 2014	Table 4, p. 6, row 30 report
Lattice c	17.103 Å	0	Mo8O23 alloy: O 0.741935	DFT	[1] Zhang 2014	Table 4, p. 6, row 26 report
Lattice c	17.0375 Å	0	Mo8O23 alloy: O 0.741935	DFT	[1] Zhang 2014	Table 4, p. 6, row 29 report
Lattice c	17.1372 Å	0	Mo8O23 alloy: O 0.741935	DFT	[1] Zhang 2014	Table 4, p. 6, row 21 report
Lattice c	17.065 Å	0	Mo9O26 alloy: O 0.742857	DFT	[1] Zhang 2014	Table 4, p. 6, row 36 report
Lattice c	16.9826 Å	0	Mo9O26 alloy: O 0.742857	DFT	[1] Zhang 2014	Table 4, p. 6, row 34 report
Lattice c	16.9969 Å	0	Mo9O26 alloy: O 0.742857	DFT	[1] Zhang 2014	Table 4, p. 6, row 39 report
Lattice c	17.05 Å	0	Mo9O26 alloy: O 0.742857	DFT	[1] Zhang 2014	Table 4, p. 6, row 31 report
Lattice c	17.0792 Å	0	Mo9O26 alloy: O 0.742857	DFT	[1] Zhang 2014	Table 4, p. 6, row 33 report
Lattice c	17.1171 Å	0	Mo9O26 alloy: O 0.742857	DFT	[1] Zhang 2014	Table 4, p. 6, row 38 report
Lattice c	17.063 Å	0	Mo9O26 alloy: O 0.742857	DFT	[1] Zhang 2014	Table 4, p. 6, row 40 report
Lattice c	17.0251 Å	0	Mo9O26 alloy: O 0.742857	DFT	[1] Zhang 2014	Table 4, p. 6, row 35 report
Lattice c	5.6433 Å	0	MoO2 alloy: O 0.666667	DFT	[1] Zhang 2014	Table 4, p. 6, row 10 report
Lattice c	5.6405 Å	0	MoO2 alloy: O 0.666667	DFT	[1] Zhang 2014	Table 4, p. 6, row 6 report
Lattice c	5.6979 Å	0	MoO2 alloy: O 0.666667	DFT	[1] Zhang 2014	Table 4, p. 6, row 8 report
Lattice c	5.6082 Å	0	MoO2 alloy: O 0.666667	DFT	[1] Zhang 2014	Table 4, p. 6, row 9 report
Lattice c	10.8358 Å	0	MoO3 alloy: O 0.75	DFT	[1] Zhang 2014	Table 4, p. 6, row 48 report
Lattice c	10.3786 Å	0	MoO3 alloy: O 0.75	DFT	[1] Zhang 2014	Table 4, p. 6, row 49 report
Lattice c	7.44363 Å	0	MoO3 alloy: O 0.75	DFT	[1] Zhang 2014	Table 4, p. 6, row 41 report
Lattice c	8.11657 Å	0	MoO3 alloy: O 0.75	DFT	[1] Zhang 2014	Table 4, p. 6, row 43 report
Lattice c	3.8407 Å	0	MoO3 alloy: O 0.75	DFT	[1] Zhang 2014	Table 4, p. 6, row 54 report
Lattice c	3.8947 Å	0	MoO3 alloy: O 0.75	DFT	[1] Zhang 2014	Table 4, p. 6, row 51 report
Lattice c	7.14801 Å	0	MoO3 alloy: O 0.75	DFT	[1] Zhang 2014	Table 4, p. 6, row 45 report
Lattice c	10.3578 Å	0	MoO3 alloy: O 0.75	DFT	[1] Zhang 2014	Table 4, p. 6, row 50 report
Lattice c	3.937 Å	0	MoO3 alloy: O 0.75	DFT	[1] Zhang 2014	Table 4, p. 6, row 55 report
Lattice c	3.931 Å		MoO3 alloy: O 0.75	DFT	[1] Zhang 2014 cites Ding 2012 doi	Table 4, p. 6, row 56 report
Lattice c	7.00409 Å	0	MoO3 alloy: O 0.75	DFT	[1] Zhang 2014	Table 4, p. 6, row 44 report
Lattice c	3.9791 Å	0	MoO3 alloy: O 0.75	DFT	[1] Zhang 2014	Table 4, p. 6, row 53 report
Lattice c	10.6396 Å	0	MoO3 alloy: O 0.75	DFT	[1] Zhang 2014	Table 4, p. 6, row 46 report
Lattice c	3.951 Å	298.15	Mo17O47 alloy: O 0.734375	experimental	[1] Zhang 2014 cites Kihlborg 1963	Table 4, p. 6, row 17 report
Lattice c	5.457 Å	298.15	Mo4O11 alloy: O 0.733333	experimental	[1] Zhang 2014 cites Ghedira 1985 doi	Table 4, p. 6, row 12 report
Lattice c	16.883 Å	298.15	Mo8O23 alloy: O 0.741935	experimental	[1] Zhang 2014 cites Fujishita 1987 doi	Table 4, p. 6, row 27 report
Lattice c	16.82 Å	298.15	Mo8O23 alloy: O 0.741935	experimental	[1] Zhang 2014 cites Fujishita 1987 doi	Table 4, p. 6, row 22 report
Lattice c	16.816 Å	298.15	Mo9O26 alloy: O 0.742857	experimental	[1] Zhang 2014 cites Sato 1987 doi	Table 4, p. 6, row 32 report
Lattice c	16.75 Å	298.15	Mo9O26 alloy: O 0.742857	experimental	[1] Zhang 2014 cites Magneli 1948 doi	Table 4, p. 6, row 37 report
Lattice c	5.6285 Å	298.15	MoO2 alloy: O 0.666667	experimental	[1] Zhang 2014 cites Brandt 1967 doi	Table 4, p. 6, row 7 report
Lattice c	10.6816 Å	298.15	MoO3 alloy: O 0.75	experimental	[1] Zhang 2014 cites Parise 1987 doi	Table 4, p. 6, row 47 report
Lattice c	7.095 Å	298.15	MoO3 alloy: O 0.75	experimental	[1] Zhang 2014 cites McCarron 1991 doi	Table 4, p. 6, row 42 report
Lattice c	3.9628 Å	298.15	MoO3 alloy: O 0.75	experimental	[1] Zhang 2014 cites Kihlborg 1963	Table 4, p. 6, row 52 report
lattice beta	106.51 degree	0	Mo8O23 alloy: O 0.741935	DFT	[1] Zhang 2014	Table 4, p. 6, row 24 report
lattice beta	106.59 degree	0	Mo8O23 alloy: O 0.741935	DFT	[1] Zhang 2014	Table 4, p. 6, row 23 report
lattice beta	106.35 degree	0	Mo8O23 alloy: O 0.741935	DFT	[1] Zhang 2014	Table 4, p. 6, row 28 report
lattice beta	106.33 degree	0	Mo8O23 alloy: O 0.741935	DFT	[1] Zhang 2014	Table 4, p. 6, row 30 report
lattice beta	106.42 degree	0	Mo8O23 alloy: O 0.741935	DFT	[1] Zhang 2014	Table 4, p. 6, row 26 report
lattice beta	106.41 degree	0	Mo8O23 alloy: O 0.741935	DFT	[1] Zhang 2014	Table 4, p. 6, row 29 report
lattice beta	106.6 degree	0	Mo8O23 alloy: O 0.741935	DFT	[1] Zhang 2014	Table 4, p. 6, row 21 report
lattice beta	95.25 degree	0	Mo9O26 alloy: O 0.742857	DFT	[1] Zhang 2014	Table 4, p. 6, row 36 report
lattice beta	95.35 degree	0	Mo9O26 alloy: O 0.742857	DFT	[1] Zhang 2014	Table 4, p. 6, row 34 report
lattice beta	95.23 degree	0	Mo9O26 alloy: O 0.742857	DFT	[1] Zhang 2014	Table 4, p. 6, row 39 report
lattice beta	95.25 degree	0	Mo9O26 alloy: O 0.742857	DFT	[1] Zhang 2014	Table 4, p. 6, row 31 report
lattice beta	95.36 degree	0	Mo9O26 alloy: O 0.742857	DFT	[1] Zhang 2014	Table 4, p. 6, row 33 report
lattice beta	95.27 degree	0	Mo9O26 alloy: O 0.742857	DFT	[1] Zhang 2014	Table 4, p. 6, row 38 report
lattice beta	95.32 degree	0	Mo9O26 alloy: O 0.742857	DFT	[1] Zhang 2014	Table 4, p. 6, row 40 report
lattice beta	95.4 degree	0	Mo9O26 alloy: O 0.742857	DFT	[1] Zhang 2014	Table 4, p. 6, row 35 report
lattice beta	121.21 degree	0	MoO2 alloy: O 0.666667	DFT	[1] Zhang 2014	Table 4, p. 6, row 10 report
lattice beta	120.69 degree	0	MoO2 alloy: O 0.666667	DFT	[1] Zhang 2014	Table 4, p. 6, row 6 report
lattice beta	120.72 degree	0	MoO2 alloy: O 0.666667	DFT	[1] Zhang 2014	Table 4, p. 6, row 8 report
lattice beta	137.3 degree	0	MoO3 alloy: O 0.75	DFT	[1] Zhang 2014	Table 4, p. 6, row 48 report
lattice beta	135.51 degree	0	MoO3 alloy: O 0.75	DFT	[1] Zhang 2014	Table 4, p. 6, row 49 report
lattice beta	103.107 degree	0	MoO3 alloy: O 0.75	DFT	[1] Zhang 2014	Table 4, p. 6, row 41 report
lattice beta	102.24 degree	0	MoO3 alloy: O 0.75	DFT	[1] Zhang 2014	Table 4, p. 6, row 43 report
lattice beta	103.338 degree	0	MoO3 alloy: O 0.75	DFT	[1] Zhang 2014	Table 4, p. 6, row 45 report
lattice beta	135.93 degree	0	MoO3 alloy: O 0.75	DFT	[1] Zhang 2014	Table 4, p. 6, row 50 report
lattice beta	103.645 degree	0	MoO3 alloy: O 0.75	DFT	[1] Zhang 2014	Table 4, p. 6, row 44 report
lattice beta	136.77 degree	0	MoO3 alloy: O 0.75	DFT	[1] Zhang 2014	Table 4, p. 6, row 46 report
lattice beta	106.27 degree	298.15	Mo8O23 alloy: O 0.741935	experimental	[1] Zhang 2014 cites Fujishita 1987 doi	Table 4, p. 6, row 27 report
lattice beta	106.02 degree	298.15	Mo8O23 alloy: O 0.741935	experimental	[1] Zhang 2014 cites Fujishita 1987 doi	Table 4, p. 6, row 22 report
lattice beta	95.47 degree	298.15	Mo9O26 alloy: O 0.742857	experimental	[1] Zhang 2014 cites Sato 1987 doi	Table 4, p. 6, row 32 report
lattice beta	96 degree	298.15	Mo9O26 alloy: O 0.742857	experimental	[1] Zhang 2014 cites Magneli 1948 doi	Table 4, p. 6, row 37 report
lattice beta	120.95 degree	298.15	MoO2 alloy: O 0.666667	experimental	[1] Zhang 2014 cites Brandt 1967 doi	Table 4, p. 6, row 7 report
lattice beta	135.96 degree	298.15	MoO3 alloy: O 0.75	experimental	[1] Zhang 2014 cites Parise 1987 doi	Table 4, p. 6, row 47 report
lattice beta	103.75 degree	298.15	MoO3 alloy: O 0.75	experimental	[1] Zhang 2014 cites McCarron 1991 doi	Table 4, p. 6, row 42 report

Sources

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

C. Zhang, M.C. Gao, Y. Yang, F. Zhang, Thermodynamic modeling and first-principles calculations of the Mo–O system, Calphad 45, 178-187 (2014). doi:10.1016/j.calphad.2013.12.006

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}
}