Mn–Nb system

85 accepted literature values from 2 paper(s) (experimental 37, model 1, DFT 47); 3 calculated phase diagram(s). 9 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 (8) · papers (bibliography) · Markdown

Accepted values by evidence class
Evidence class	Values
experimental	37
model	1
DFT	47

Accepted values by property group
Property group	Values
invariant reaction	2
phase equilibrium	19
crystal structure	64

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
MnNb-12Liu-alt.tdb	S. Liu, B. Hallstedt, D. Music, Y. Du, Calphad, 38, 43-58(2012). doi:10.1016/j.calphad.2012.03.004	`f865788210b7ea29500839eca161cb3231a53f18446937a3285d8634bbdd9dcd`	viewer · TDB · JSON
MnNb-12Liu.tdb	S. Liu, B. Hallstedt, D. Music, Y. Du, Calphad, 38, 43-58(2012). doi:10.1016/j.calphad.2012.03.004	`a8a02382c71fadace40c49ba561dd5276b700015661dfc4881fc18ebec7a7525`	viewer · TDB · JSON
MnNb-21Yan.tdb	X. Yan, P. Broz, J. Vrestal, J. Vlach, J. Bursik, M. Mazalova, J. Pavlu, B. Smetana, G. Rogl, M. Eiberger, A. Grytsiv, H. Michor, H. Mueller, G. Giester, P. Rogl, J. Alloys Compd., 865, 158715(2021). doi:10.1016/j.jallcom.2021.158715	`cf0e7cf6818464d76fb3688bacaac8a519d845f044c2275d83a05e7bdbd26e7d`	viewer · TDB · JSON

Calculated three-phase invariants (model, mole fraction of the second component)
TDB file	T (K)	Phases at the invariant
MnNb-12Liu-alt.tdb	1669.23	C14_LAVES (x(Nb) 0.4169) + LIQUID (x(Nb) 0.5737) + BCC_A2 (x(Nb) 0.86689)
MnNb-12Liu-alt.tdb	1496.75	BCC_A2 (x(Nb) 0.02142) + LIQUID (x(Nb) 0.03775) + C14_LAVES (x(Nb) 0.29049)
MnNb-12Liu-alt.tdb	1415.86	BCC_A2 (x(Nb) 0.01587) + CUB_A13 (x(Nb) 0.02303) + C14_LAVES (x(Nb) 0.29045)
MnNb-12Liu-alt.tdb	1394.7	FCC_A1 (x(Nb) 0.00319) + BCC_A2 (x(Nb) 0.00509) + CUB_A13 (x(Nb) 0.00788)
MnNb-12Liu-alt.tdb	990.48	CUB_A13 (x(Nb) 0.00412) + CBCC_A12 (x(Nb) 0.00698) + C14_LAVES (x(Nb) 0.31539)
MnNb-12Liu.tdb	1670.82	C14_LAVES (x(Nb) 0.41222) + LIQUID (x(Nb) 0.57437) + BCC_A2 (x(Nb) 0.86737)
MnNb-12Liu.tdb	1496.48	BCC_A2 (x(Nb) 0.02167) + LIQUID (x(Nb) 0.03821) + C14_LAVES (x(Nb) 0.29525)
MnNb-12Liu.tdb	1416.28	BCC_A2 (x(Nb) 0.01611) + CUB_A13 (x(Nb) 0.02333) + C14_LAVES (x(Nb) 0.29508)
MnNb-12Liu.tdb	1394.7	FCC_A1 (x(Nb) 0.00319) + BCC_A2 (x(Nb) 0.00509) + CUB_A13 (x(Nb) 0.00788)
MnNb-12Liu.tdb	1260.07	C14_LAVES (x(Nb) 0.38008) + MU_D85 (x(Nb) 0.48006) + BCC_A2 (x(Nb) 0.95348)
MnNb-12Liu.tdb	990.71	CUB_A13 (x(Nb) 0.00421) + CBCC_A12 (x(Nb) 0.00713) + C14_LAVES (x(Nb) 0.31037)
MnNb-21Yan.tdb	1766.61	C14_LAVES (x(Nb) 0.40378) + LIQUID (x(Nb) 0.48018) + BCC_A2 (x(Nb) 0.83637)
MnNb-21Yan.tdb	1489.4	BCC_A2 (x(Nb) 0.03433) + LIQUID (x(Nb) 0.04948) + C14_LAVES (x(Nb) 0.2477)
MnNb-21Yan.tdb	1420.9	BCC_A2 (x(Nb) 0.02665) + FCC_A1 (x(Nb) 0.02785) + C14_LAVES (x(Nb) 0.24463)
MnNb-21Yan.tdb	1326.58	CUB_A13 (x(Nb) 0.01527) + FCC_A1 (x(Nb) 0.01986) + C14_LAVES (x(Nb) 0.24203)
MnNb-21Yan.tdb	1080.17	CUB_A13 (x(Nb) 0.00495) + CBCC_A12 (x(Nb) 0.02691) + C14_LAVES (x(Nb) 0.24043)

Convex hulls: Materials Project DFT hull · OQMD DFT hull · CALPHAD hull MnNb-12Liu-alt · CALPHAD hull MnNb-12Liu

Invariant reactions (literature)

Invariant reactions reported in the literature for the Mn–Nb system (2)
T (K)	Reaction / phases	Compositions (mole fraction)	Class	Source	Location	Quote
1395.15	(δMn) ↔ (γMn) + (βMn)	(δMn): Nb 0.0051; (γMn): Nb 0.0032; (βMn): Nb 0.0079	model	[1] Liu 2012	Table 2, p. 4, row 62 report
1393.15	(δMn) ↔ (γMn) + (βMn)	(γMn): Nb 0.004	experimental	[1] Liu 2012 cites Hellawell 1959 doi	Table 2, p. 4, row 61 report

Other properties

Phase equilibrium (19)

Phase equilibrium, Mn–Nb system
Property	T (K)	Phases / composition	Class	Source	Location
Phase composition		Eutectic + overall (EDX) overall (EDX): Mn 0.95, Nb 0.05; Eutectic: Mn 0.951, Nb 0.049	experimental	[2] Yan 2021	Table 4, p. 10, row 9 report
Phase composition		Matrix + Second phase + Eutectic + overall (EDX) overall (EDX): Mn 0.413, Nb 0.587; Matrix: Mn 0.624, Nb 0.376; Second phase: Mn 0.182, Nb 0.818; Eutectic: Mn 0.468, Nb 0.532	experimental	[2] Yan 2021	Table 4, p. 10, row 18 report
Phase composition		Matrix + Second phase + Eutectic + overall (EDX) overall (EDX): Mn 0.53, Nb 0.47; Matrix: Mn 0.628, Nb 0.372; Second phase: Mn 0.194, Nb 0.806; Eutectic: Mn 0.484, Nb 0.516	experimental	[2] Yan 2021	Table 4, p. 10, row 16 report
Phase composition		Matrix + Second phase + Eutectic + overall (EDX) overall (EDX): Mn 0.959, Nb 0.041; Matrix: Mn 0.995, Nb 0.005; Second phase: Mn 0.758, Nb 0.242; Eutectic: Mn 0.952, Nb 0.048	experimental	[2] Yan 2021	Table 4, p. 10, row 6 report
Phase composition		Matrix + Second phase + Eutectic + η-Nb-Mn + overall (EDX) overall (EDX): Mn 0.905, Nb 0.095; Matrix: Mn 0.992, Nb 0.008; Second phase: Mn 0.729, Nb 0.271; Eutectic: Mn 0.946, Nb 0.054; η-Nb-Mn: Mn 0.524, Nb 0.476	experimental	[2] Yan 2021	Table 4, p. 10, row 11 report
Phase composition		Matrix + Second phase + Eutectic: Eutectic + overall (EDX) overall (EDX): Mn 0.911, Nb 0.089; Matrix: Mn 0.994, Nb 0.006; Second phase: Mn 0.74, Nb 0.26	experimental	[2] Yan 2021	Table 4, p. 10, row 13 report
Phase composition		Matrix + Second phase + η-Nb-Mn: Few small + overall (EDX) overall (EDX): Mn 0.967, Nb 0.033; Matrix: Mn 0.986, Nb 0.014; Second phase: Mn 0.73, Nb 0.27	experimental	[2] Yan 2021	Table 4, p. 10, row 4 report
Phase composition		Matrix + Second phase: Fine particles + η-Nb-Mn: Black holes + overall (EDX) overall (EDX): Mn 0.99, Nb 0.01; Matrix: Mn 0.994, Nb 0.006	experimental	[2] Yan 2021	Table 4, p. 10, row 1 report
Phase composition		Matrix + η-Nb-Mn + overall (EDX) overall (EDX): Mn 0.98, Nb 0.02; Matrix: Mn 0.985, Nb 0.015; η-Nb-Mn: Mn 0.547, Nb 0.453	experimental	[2] Yan 2021	Table 4, p. 10, row 2 report
Phase composition		Second phase + η-Nb-Mn-O + overall (EDX) overall (EDX): Mn 0.647, Nb 0.353; Second phase: Mn 0.653, Nb 0.347; η-Nb-Mn-O: Mn 0.457, Nb 0.448	experimental	[2] Yan 2021	Table 4, p. 10, row 15 report
Phase composition	973.15	Matrix + Second phase + η-Nb-Mn + overall (EDX) overall (EDX): Mn 0.953, Nb 0.047; Matrix: Mn 0.963, Nb 0.037; Second phase: Mn 0.729, Nb 0.271; η-Nb-Mn: Mn 0.544, Nb 0.456	experimental	[2] Yan 2021	Table 4, p. 10, row 10 report
Phase composition	1023.15	Matrix + Second phase + η-Nb-Mn + overall (EDX) overall (EDX): Mn 0.961, Nb 0.039; Matrix: Mn 0.967, Nb 0.033; Second phase: Mn 0.728, Nb 0.272; η-Nb-Mn: Mn 0.558, Nb 0.442	experimental	[2] Yan 2021	Table 4, p. 10, row 8 report
Phase composition	1193.15	Matrix + Second phase + Eutectic: inhomog. + overall (EDX) overall (EDX): Mn 0.531, Nb 0.469; Matrix: Mn 0.622, Nb 0.378; Second phase: Mn 0.159, Nb 0.841	experimental	[2] Yan 2021	Table 4, p. 10, row 17 report
Phase composition	1223.15	Matrix + Second phase + Eutectic: Eutectic Matrix: Mn 0.995, Nb 0.005; Second phase: Mn 0.727, Nb 0.273	experimental	[2] Yan 2021	Table 4, p. 10, row 12 report
Phase composition	1223.15	Matrix + Second phase + Eutectic: inhomog. + overall (EDX) overall (EDX): Mn 0.417, Nb 0.583; Matrix: Mn 0.633, Nb 0.367; Second phase: Mn 0.167, Nb 0.833	experimental	[2] Yan 2021	Table 4, p. 10, row 19 report
Phase composition	1223.15	Matrix + Second phase + η-Nb-Mn + overall (EDX) overall (EDX): Mn 0.897, Nb 0.103; Matrix: Mn 0.994, Nb 0.006; Second phase: Mn 0.726, Nb 0.274; η-Nb-Mn: Mn 0.545, Nb 0.455	experimental	[2] Yan 2021	Table 4, p. 10, row 14 report
Phase composition	1223.15	Matrix + Second phase + η-Nb-Mn + overall (EDX) overall (EDX): Mn 0.96, Nb 0.04; Matrix: Mn 0.994, Nb 0.006; Second phase: Mn 0.725, Nb 0.275; η-Nb-Mn: Mn 0.554, Nb 0.446	experimental	[2] Yan 2021	Table 4, p. 10, row 7 report
Phase composition	1223.15	Matrix + Second phase: Small + η-Nb-Mn-O Matrix: Mn 0.994, Nb 0.006; η-Nb-Mn-O: Mn 0.486, Nb 0.47	experimental	[2] Yan 2021	Table 4, p. 10, row 5 report
Phase composition	1223.15	Matrix + η-Nb-Mn-O + overall (EDX) overall (EDX): Mn 0.98, Nb 0.02; Matrix: Mn 0.994, Nb 0.006; η-Nb-Mn-O: Mn 0.543, Nb 0.449	experimental	[2] Yan 2021	Table 4, p. 10, row 3 report

Crystal structure (64)

Crystal structure, Mn–Nb system
Property	Value	T (K)	Phases / composition	Class	Source	Location
Lattice a	5.438 Å	0	C14 alloy: Mn 0.333333, Nb 0.666667	DFT	[1] Liu 2012	Table 4, p. 8, row 4 report
Lattice a	4.806 Å	0	C14 alloy: Mn 0.666667, Nb 0.333333	DFT	[1] Liu 2012	Table 4, p. 8, row 3 report
Lattice a	5.471 Å	0	C14 alloy: Mn 0.333333, Nb 0.666667	DFT	[1] Liu 2012	Table 4, p. 8, row 5 report
Lattice a	4.802 Å	0	C14 alloy: Mn 0.666667, Nb 0.333333	DFT	[1] Liu 2012	Table 4, p. 8, row 2 report
Lattice a	5.432 Å	0	C14 alloy: Mn 0.333333, Nb 0.666667	DFT	[1] Liu 2012	Table 4, p. 8, row 6 report
Lattice a	4.854 Å	0	μ alloy: Mn 0.538462, Nb 0.461538	DFT	[1] Liu 2012	Table 4, p. 8, row 36 report
Lattice a	4.826 Å	0	μ alloy: Mn 0.538462, Nb 0.461538	DFT	[1] Liu 2012	Table 4, p. 8, row 35 report
Lattice a	4.974 Å	0	μ alloy: Mn 0.461538, Nb 0.538462	DFT	[1] Liu 2012	Table 4, p. 8, row 38 report
Lattice a	5.465 Å	0	μ alloy: Mn 0.076923, Nb 0.923077	DFT	[1] Liu 2012	Table 4, p. 8, row 40 report
Lattice a	4.971 Å	0	μ alloy: Mn 0.461538, Nb 0.538462	DFT	[1] Liu 2012	Table 4, p. 8, row 37 report
Lattice a	5.456 Å	0	μ alloy: Mn 0.076923, Nb 0.923077	DFT	[1] Liu 2012	Table 4, p. 8, row 39 report
Lattice a	4.8801 Å ± 1.000e-4	100	NbMn2 alloy: Nb 0.333333	experimental	[2] Yan 2021	Table 2, p. 6, row 4 report
Lattice a	4.8824 Å ± 1.000e-4	150	NbMn2 alloy: Nb 0.333333	experimental	[2] Yan 2021	Table 2, p. 6, row 3 report
Lattice a	4.8834 Å ± 1.000e-4	200	NbMn2 alloy: Nb 0.333333	experimental	[2] Yan 2021	Table 2, p. 6, row 2 report
Lattice a	4.89376 Å ± 4.000e-5	298.15	Nb1.08Mn1.92 alloy: Mn 0.6, Nb 0.4	experimental	[2] Yan 2021	Table 3, p. 9, row 1 report
Lattice a	0.48898 not_printed ± 1.000e-5	298.15	NbMn2 alloy: Nb 0.333333	experimental	[2] Yan 2021	Table 2, p. 6, row 1 report
Lattice a	4.8898 Å ± 1.000e-4	298.15	NbMn2 alloy: Nb 0.333333	experimental	[2] Yan 2021	Table 2, p. 6, row 5 report
Lattice b	4.8801 Å ± 1.000e-4	100	NbMn2 alloy: Nb 0.333333	experimental	[2] Yan 2021	Table 2, p. 6, row 4 report
Lattice b	4.8824 Å ± 1.000e-4	150	NbMn2 alloy: Nb 0.333333	experimental	[2] Yan 2021	Table 2, p. 6, row 3 report
Lattice b	4.8834 Å ± 1.000e-4	200	NbMn2 alloy: Nb 0.333333	experimental	[2] Yan 2021	Table 2, p. 6, row 2 report
Lattice b	0.48898 not_printed ± 1.000e-5	298.15	NbMn2 alloy: Nb 0.333333	experimental	[2] Yan 2021	Table 2, p. 6, row 1 report
Lattice b	4.8898 Å ± 1.000e-4	298.15	NbMn2 alloy: Nb 0.333333	experimental	[2] Yan 2021	Table 2, p. 6, row 5 report
Lattice c	8.428 Å	0	C14 alloy: Mn 0.333333, Nb 0.666667	DFT	[1] Liu 2012	Table 4, p. 8, row 4 report
Lattice c	7.937 Å	0	C14 alloy: Mn 0.666667, Nb 0.333333	DFT	[1] Liu 2012	Table 4, p. 8, row 3 report
Lattice c	8.524 Å	0	C14 alloy: Mn 0.333333, Nb 0.666667	DFT	[1] Liu 2012	Table 4, p. 8, row 5 report
Lattice c	7.942 Å	0	C14 alloy: Mn 0.666667, Nb 0.333333	DFT	[1] Liu 2012	Table 4, p. 8, row 2 report
Lattice c	9.135 Å	0	C14 alloy: Mn 0.333333, Nb 0.666667	DFT	[1] Liu 2012	Table 4, p. 8, row 6 report
Lattice c	7.93 Å	0	C14 alloy: Mn 0.666667, Nb 0.333333	DFT	[1] Liu 2012	Table 4, p. 8, row 1 report
Lattice c	27.056 Å	0	μ alloy: Mn 0.538462, Nb 0.461538	DFT	[1] Liu 2012	Table 4, p. 8, row 36 report
Lattice c	27.349 Å	0	μ alloy: Mn 0.538462, Nb 0.461538	DFT	[1] Liu 2012	Table 4, p. 8, row 35 report
Lattice c	27.169 Å	0	μ alloy: Mn 0.461538, Nb 0.538462	DFT	[1] Liu 2012	Table 4, p. 8, row 38 report
Lattice c	27.784 Å	0	μ alloy: Mn 0.076923, Nb 0.923077	DFT	[1] Liu 2012	Table 4, p. 8, row 40 report
Lattice c	27.167 Å	0	μ alloy: Mn 0.461538, Nb 0.538462	DFT	[1] Liu 2012	Table 4, p. 8, row 37 report
Lattice c	27.855 Å	0	μ alloy: Mn 0.076923, Nb 0.923077	DFT	[1] Liu 2012	Table 4, p. 8, row 39 report
Lattice c	7.9798 Å ± 1.000e-4	100	NbMn2 alloy: Nb 0.333333	experimental	[2] Yan 2021	Table 2, p. 6, row 4 report
Lattice c	7.9823 Å ± 1.000e-4	150	NbMn2 alloy: Nb 0.333333	experimental	[2] Yan 2021	Table 2, p. 6, row 3 report
Lattice c	7.9853 Å ± 2.000e-4	200	NbMn2 alloy: Nb 0.333333	experimental	[2] Yan 2021	Table 2, p. 6, row 2 report
Lattice c	8.00616 Å ± 9.000e-5	298.15	Nb1.08Mn1.92 alloy: Mn 0.6, Nb 0.4	experimental	[2] Yan 2021	Table 3, p. 9, row 1 report
Lattice c	0.7997 not_printed ± 1.000e-5	298.15	NbMn2 alloy: Nb 0.333333	experimental	[2] Yan 2021	Table 2, p. 6, row 1 report
Lattice c	7.997 Å ± 1.000e-4	298.15	NbMn2 alloy: Nb 0.333333	experimental	[2] Yan 2021	Table 2, p. 6, row 5 report
lattice v0	215.8 Å3	0	C14 alloy: Mn 0.333333, Nb 0.666667	DFT	[1] Liu 2012	Table 4, p. 8, row 4 report
lattice v0	215.8 Å3 per formula unit	0	C14 alloy: Mn 0.333333, Nb 0.666667	DFT	[1] Liu 2012	Table 4, p. 8, row 4 report
lattice v0	158.7 Å3 per formula unit	0	C14 alloy: Mn 0.666667, Nb 0.333333	DFT	[1] Liu 2012	Table 4, p. 8, row 3 report
lattice v0	158.7 Å3	0	C14 alloy: Mn 0.666667, Nb 0.333333	DFT	[1] Liu 2012	Table 4, p. 8, row 3 report
lattice v0	221 Å3 per formula unit	0	C14 alloy: Mn 0.333333, Nb 0.666667	DFT	[1] Liu 2012	Table 4, p. 8, row 5 report
lattice v0	221 Å3	0	C14 alloy: Mn 0.333333, Nb 0.666667	DFT	[1] Liu 2012	Table 4, p. 8, row 5 report
lattice v0	158.6 Å3 per formula unit	0	C14 alloy: Mn 0.666667, Nb 0.333333	DFT	[1] Liu 2012	Table 4, p. 8, row 2 report
lattice v0	158.6 Å3	0	C14 alloy: Mn 0.666667, Nb 0.333333	DFT	[1] Liu 2012	Table 4, p. 8, row 2 report
lattice v0	233.45 Å3 per formula unit	0	C14 alloy: Mn 0.333333, Nb 0.666667	DFT	[1] Liu 2012	Table 4, p. 8, row 6 report
lattice v0	233.45 Å3	0	C14 alloy: Mn 0.333333, Nb 0.666667	DFT	[1] Liu 2012	Table 4, p. 8, row 6 report
lattice v0	158.4 Å3 per formula unit	0	C14 alloy: Mn 0.666667, Nb 0.333333	DFT	[1] Liu 2012	Table 4, p. 8, row 1 report
lattice v0	158.4 Å3	0	C14 alloy: Mn 0.666667, Nb 0.333333	DFT	[1] Liu 2012	Table 4, p. 8, row 1 report
lattice v0	552.2 Å3	0	μ alloy: Mn 0.538462, Nb 0.461538	DFT	[1] Liu 2012	Table 4, p. 8, row 36 report
lattice v0	552.2 Å3 per formula unit	0	μ alloy: Mn 0.538462, Nb 0.461538	DFT	[1] Liu 2012	Table 4, p. 8, row 36 report
lattice v0	551.7 Å3	0	μ alloy: Mn 0.538462, Nb 0.461538	DFT	[1] Liu 2012	Table 4, p. 8, row 35 report
lattice v0	551.7 Å3 per formula unit	0	μ alloy: Mn 0.538462, Nb 0.461538	DFT	[1] Liu 2012	Table 4, p. 8, row 35 report
lattice v0	582.1 Å3 per formula unit	0	μ alloy: Mn 0.461538, Nb 0.538462	DFT	[1] Liu 2012	Table 4, p. 8, row 38 report
lattice v0	582.1 Å3	0	μ alloy: Mn 0.461538, Nb 0.538462	DFT	[1] Liu 2012	Table 4, p. 8, row 38 report
lattice v0	718.7 Å3 per formula unit	0	μ alloy: Mn 0.076923, Nb 0.923077	DFT	[1] Liu 2012	Table 4, p. 8, row 40 report
lattice v0	718.7 Å3	0	μ alloy: Mn 0.076923, Nb 0.923077	DFT	[1] Liu 2012	Table 4, p. 8, row 40 report
lattice v0	581.4 Å3	0	μ alloy: Mn 0.461538, Nb 0.538462	DFT	[1] Liu 2012	Table 4, p. 8, row 37 report
lattice v0	581.4 Å3 per formula unit	0	μ alloy: Mn 0.461538, Nb 0.538462	DFT	[1] Liu 2012	Table 4, p. 8, row 37 report
lattice v0	718.1 Å3 per formula unit	0	μ alloy: Mn 0.076923, Nb 0.923077	DFT	[1] Liu 2012	Table 4, p. 8, row 39 report
lattice v0	718.1 Å3	0	μ alloy: Mn 0.076923, Nb 0.923077	DFT	[1] Liu 2012	Table 4, p. 8, row 39 report

Sources

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

Shuhong Liu, Bengt Hallstedt, Denis Music, Yong Du, Ab initio calculations and thermodynamic modeling for the Fe–Mn–Nb system, Calphad 38, 43-58 (2012). doi:10.1016/j.calphad.2012.03.004
Xinlin Yan, Pavel Brož, Jan Vřešťál, Jiří Vlach, Jiří Buršík, Martina Mazalová et al., On the constitution and thermodynamic modeling of the phase diagrams Nb-Mn and Ta-Mn, Journal of Alloys and Compounds 865, 158715 (2021). doi:10.1016/j.jallcom.2021.158715

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}
}