Ba–Ge system

119 accepted literature values from 1 paper(s) (experimental 39, model 30, DFT 20, unspecified 30); 1 calculated phase diagram(s). 8 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 (13) · papers (bibliography) · Markdown

Accepted values by evidence class
Evidence class	Values
experimental	39
model	30
DFT	20
unspecified	30

Accepted values by property group
Property group	Values
invariant reaction	20
phase transition	12
formation	21
crystal structure	66

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
BaGe-19Ben.tdb	R. Benhafid, A. Belgacem Bouzida, Y. Djaballah, A. Candan, A. Iyigör, G. Ugur, J. Phase Equilib. Diffus., 40, 195-205(2019). doi:10.1007/s11669-019-00714-2	`118f846ad4780ff7cddbb8c80cc21554ba196360eac8478ff368429d0c678490`	viewer · TDB · JSON

Calculated three-phase invariants (model, mole fraction of the second component)
TDB file	T (K)	Phases at the invariant
BaGe-19Ben.tdb	1202.1	LIQUID (x(Ge) 0.56154) + BA3GE4_BETA (x(Ge) 0.57143) + BAGE2 (x(Ge) 0.66667)
BaGe-19Ben.tdb	1202.1	LIQUID (x(Ge) 0.56151) + BA3GE4_BETA (x(Ge) 0.57143) + BAGE2 (x(Ge) 0.66667)
BaGe-19Ben.tdb	1202.1	LIQUID (x(Ge) 0.56158) + BA3GE4_BETA (x(Ge) 0.57143) + BAGE2 (x(Ge) 0.66667)
BaGe-19Ben.tdb	1200.3	BAGE_B33 (x(Ge) 0.5) + LIQUID (x(Ge) 0.55688) + BA3GE4_BETA (x(Ge) 0.57143)
BaGe-19Ben.tdb	1200.3	BAGE_B33 (x(Ge) 0.5) + LIQUID (x(Ge) 0.55694) + BA3GE4_BETA (x(Ge) 0.57143)
BaGe-19Ben.tdb	1200.3	BAGE_B33 (x(Ge) 0.5) + LIQUID (x(Ge) 0.55683) + BA3GE4_BETA (x(Ge) 0.57143)
BaGe-19Ben.tdb	1193.52	BA2GE_C37 (x(Ge) 0.33333) + BA5GE3 (x(Ge) 0.375) + LIQUID (x(Ge) 0.4035)
BaGe-19Ben.tdb	1193.52	BA2GE_C37 (x(Ge) 0.33333) + BA5GE3 (x(Ge) 0.375) + LIQUID (x(Ge) 0.40356)
BaGe-19Ben.tdb	1193.52	BA2GE_C37 (x(Ge) 0.33333) + BA5GE3 (x(Ge) 0.375) + LIQUID (x(Ge) 0.40328)
BaGe-19Ben.tdb	1167.41	BA5GE3 (x(Ge) 0.375) + LIQUID (x(Ge) 0.4271) + BAGE_B33 (x(Ge) 0.5)
BaGe-19Ben.tdb	1167.4	BA5GE3 (x(Ge) 0.375) + LIQUID (x(Ge) 0.42691) + BAGE_B33 (x(Ge) 0.5)
BaGe-19Ben.tdb	1086.7	BAGE2 (x(Ge) 0.66667) + BA6GE25 (x(Ge) 0.80645) + LIQUID (x(Ge) 0.81938)
BaGe-19Ben.tdb	1086.7	BAGE2 (x(Ge) 0.66667) + BA6GE25 (x(Ge) 0.80645) + LIQUID (x(Ge) 0.81922)
BaGe-19Ben.tdb	1086.7	BAGE2 (x(Ge) 0.66667) + BA6GE25 (x(Ge) 0.80645) + LIQUID (x(Ge) 0.81922)
BaGe-19Ben.tdb	1085.68	LIQUID (x(Ge) 0.83742) + BA8GE43 (x(Ge) 0.84314) + DIAMOND_A4 (x(Ge) 1)
BaGe-19Ben.tdb	1085.68	LIQUID (x(Ge) 0.83761) + BA8GE43 (x(Ge) 0.84314) + DIAMOND_A4 (x(Ge) 1)
BaGe-19Ben.tdb	1085.68	LIQUID (x(Ge) 0.83761) + BA8GE43 (x(Ge) 0.84314) + DIAMOND_A4 (x(Ge) 1)
BaGe-19Ben.tdb	1083.93	BA6GE25 (x(Ge) 0.80645) + LIQUID (x(Ge) 0.82838) + BA8GE43 (x(Ge) 0.84314)
BaGe-19Ben.tdb	1083.93	BA6GE25 (x(Ge) 0.80645) + LIQUID (x(Ge) 0.82871) + BA8GE43 (x(Ge) 0.84314)
BaGe-19Ben.tdb	1083.93	BA6GE25 (x(Ge) 0.80645) + LIQUID (x(Ge) 0.82856) + BA8GE43 (x(Ge) 0.84314)
BaGe-19Ben.tdb	1063.96	BA6GE25 (x(Ge) 0.80645) + BA8GE43 (x(Ge) 0.84314) + DIAMOND_A4 (x(Ge) 1)
BaGe-19Ben.tdb	933.52	BCC_A2 (x(Ge) 0) + LIQUID (x(Ge) 0.11631) + BA2GE_C37 (x(Ge) 0.33333)
BaGe-19Ben.tdb	933.52	BCC_A2 (x(Ge) 0) + LIQUID (x(Ge) 0.11617) + BA2GE_C37 (x(Ge) 0.33333)
BaGe-19Ben.tdb	613.06	BAGE_B33 (x(Ge) 0.5) + BA3GE4_ALPHA (x(Ge) 0.57143) + BA3GE4_BETA (x(Ge) 0.57143)
BaGe-19Ben.tdb	613.06	BA3GE4_BETA (x(Ge) 0.57143) + BA3GE4_ALPHA (x(Ge) 0.57143) + BAGE2 (x(Ge) 0.66667)

Convex hulls: Materials Project DFT hull · OQMD DFT hull

Invariant reactions (literature)

Invariant reactions reported in the literature for the Ba–Ge system (20)
T (K)	Reaction / phases	Compositions (mole fraction)	Class	Source	Location	Quote
1323	peritectic		model	[1] Benhafid 2019 cites Massalski 1990	p. 3 report	This diagram presents four intermetallic compounds: BaGe melting congruently at 1428 K, while the Ba2Ge, BaGe2 and BaGe4 are formed by peritectic reactions at 1228, 1323 and 1088 K successively.
1228	peritectic		model	[1] Benhafid 2019 cites Massalski 1990	p. 3 report	This diagram presents four intermetallic compounds: BaGe melting congruently at 1428 K, while the Ba2Ge, BaGe2 and BaGe4 are formed by peritectic reactions at 1228, 1323 and 1088 K successively.
1213	peritectic		experimental	[1] Benhafid 2019	p. 3 report	Two new compounds were observed: Ba5Ge3, peritectically formed at 1213 K and dimorphic Ba3Ge4, melting by peritectic reaction at 1188 K and transformed to low temperature form at about 613 K.
1213	peritectic: Liq + Ba2Ge -> Ba5Ge3	Liq: Ge 0.4; Ba2Ge: Ge 0.333; Ba5Ge3: Ge 0.375	experimental	[1] Benhafid 2019 cites Pani 2008 doi	Table 7, p. 9, row 6 report
1201	peritectic: Liq + BaGe2 -> Ba3Ge4	Liq: Ge 0.5611; BaGe2: Ge 0.667; Ba3Ge4: Ge 0.571	model	[1] Benhafid 2019	Table 7, p. 9, row 16 report
1199	eutectic: Liq -> βBa3Ge4 + BaGe	Liq: Ge 0.5569; βBa3Ge4: Ge 0.571; BaGe: Ge 0.5	model	[1] Benhafid 2019	Table 7, p. 9, row 14 report
1192.91	peritectic: Liq + Ba2Ge -> Ba5Ge3	Liq: Ge 0.4042; Ba2Ge: Ge 0.333; Ba5Ge3: Ge 0.375	model	[1] Benhafid 2019	Table 7, p. 9, row 7 report
1188	peritectic: Liq + BaGe2 -> Ba3Ge4	Liq: Ge 0.569; BaGe2: Ge 0.667; Ba3Ge4: Ge 0.571	experimental	[1] Benhafid 2019 cites Pani 2008 doi	Table 7, p. 9, row 15 report
1188	peritectic		experimental	[1] Benhafid 2019	p. 3 report	Two new compounds were observed: Ba5Ge3, peritectically formed at 1213 K and dimorphic Ba3Ge4, melting by peritectic reaction at 1188 K and transformed to low temperature form at about 613 K.
1178	eutectic: Liq -> βBa3Ge4 + BaGe	Liq: Ge 0.56; βBa3Ge4: Ge 0.571; BaGe: Ge 0.5	experimental	[1] Benhafid 2019 cites Pani 2008 doi	Table 7, p. 9, row 13 report
1168	eutectic: Liq -> Ba5Ge3 + BaGe	Liq: Ge 0.427; Ba5Ge3: Ge 0.375; BaGe: Ge 0.5	model	[1] Benhafid 2019	Table 7, p. 9, row 9 report
1167	eutectic: Liq -> Ba5Ge3 + BaGe	Liq: Ge 0.425; Ba5Ge3: Ge 0.375; BaGe: Ge 0.5	experimental	[1] Benhafid 2019 cites Pani 2008 doi	Table 7, p. 9, row 8 report
1088	peritectic		model	[1] Benhafid 2019 cites Massalski 1990	p. 3 report	This diagram presents four intermetallic compounds: BaGe melting congruently at 1428 K, while the Ba2Ge, BaGe2 and BaGe4 are formed by peritectic reactions at 1228, 1323 and 1088 K successively.
1088	peritectic: Liq + BaGe2 -> Ba6Ge25	Liq: Ge 0.815; BaGe2: Ge 0.667; Ba6Ge25: Ge 0.806	experimental	[1] Benhafid 2019 cites Carrillo-Cabrera 2004	Table 7, p. 9, row 19 report
1082.78	peritectic: Liq + BaGe2 -> Ba6Ge25	Liq: Ge 0.821; BaGe2: Ge 0.667; Ba6Ge25: Ge 0.806	model	[1] Benhafid 2019	Table 7, p. 9, row 20 report
1081.63	eutectic: Liq -> Ba6Ge25 + Ba8Ge43	Liq: Ge 0.8252; Ba6Ge25: Ge 0.806; Ba8Ge43: Ge 0.843	model	[1] Benhafid 2019	Table 7, p. 9, row 22 report
1081	eutectic: Liq -> Ba6Ge25 + Ba8Ge43	Liq: Ge 0.826; Ba6Ge25: Ge 0.806; Ba8Ge43: Ge 0.843	experimental	[1] Benhafid 2019 cites Carrillo-Cabrera 2004	Table 7, p. 9, row 21 report
934.79	eutectic: Liq -> Ba + Ba2Ge	Liq: Ge 0.115; Ba: Ge 0; Ba2Ge: Ge 0.333	model	[1] Benhafid 2019	Table 7, p. 9, row 3 report
913	eutectic: Liq -> Ba + Ba2Ge	Liq: Ge 0.075; Ba: Ge 0; Ba2Ge: Ge 0.333	experimental	[1] Benhafid 2019 cites Pani 2008 doi	Table 7, p. 9, row 2 report
818	eutectic: Liq -> Ba + Ba2Ge	Liq: Ge 0.04; Ba: Ge 0; Ba2Ge: Ge 0.333	experimental	[1] Benhafid 2019 cites Andrianov 1966	Table 7, p. 9, row 1 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, Ba–Ge system (13)
Phase	Compound	Value	T (K)	Class	MP DFT (kJ/mol-atom)	OQMD DFT (kJ/mol-atom)	Source	Location
Ba2Ge	Ba2Ge	-51.13 kJ/mol-atom		model	-47.487 (mp-aaaaaupm)	-47.179 (oqmd-1343651)	[1] Benhafid 2019	Table 3, p. 4, row 20 report
Ba2Ge		-50.129 kJ/mol-atom	0	DFT			[1] Benhafid 2019	Table 3, p. 4, row 19 report
Ba5Ge3		-56.88 kJ/mol-atom	0	DFT			[1] Benhafid 2019	Table 3, p. 4, row 21 report
Ba5Ge3	Ba5Ge3	-56.88 kJ/mol-atom		model	-48.356 (mp-aaaabfwk)	-48.567 (oqmd-24996)	[1] Benhafid 2019	Table 3, p. 4, row 22 report
Ba6Ge25	Ba6Ge25	-31.819 kJ/mol-atom		model	-27.482 (mp-aaabgldt)		[1] Benhafid 2019	Table 3, p. 4, row 30 report
Ba8Ge43	Ba8Ge43	-21.198 kJ/mol-atom		model	-20.97 (mp-aaacqgxf)		[1] Benhafid 2019	Table 3, p. 4, row 31 report
BaGe		-60.314 kJ/mol-atom	0	DFT			[1] Benhafid 2019	Table 3, p. 4, row 23 report
BaGe	BaGe	-60.062 kJ/mol-atom		model	-57.527 (mp-aaaaacoo)	-57.177 (oqmd-646985)	[1] Benhafid 2019	Table 3, p. 4, row 24 report
BaGe2		-54.015 kJ/mol-atom	0	DFT			[1] Benhafid 2019	Table 3, p. 4, row 28 report
BaGe2	BaGe2	-54.015 kJ/mol-atom		model	-51.162 (mp-aaaaadeh)	-50.892 (oqmd-20095)	[1] Benhafid 2019	Table 3, p. 4, row 29 report
α- Ba3Ge4	Ba3Ge4	-59.09 kJ/mol-atom		model	-54.983 (mp-aaaaaope)	-54.784 (oqmd-24528)	[1] Benhafid 2019	Table 3, p. 4, row 25 report
β- Ba3Ge4	Ba3Ge4	-58.599 kJ/mol-atom		model	-54.983 (mp-aaaaaope)	-54.784 (oqmd-24528)	[1] Benhafid 2019	Table 3, p. 4, row 27 report
β- Ba3Ge4		-58.317 kJ/mol-atom	0	DFT			[1] Benhafid 2019	Table 3, p. 4, row 26 report

Other properties

Phase transition (12)

Phase transition, Ba–Ge system
Property	Value	T (K)	Phases / composition	Class	Source	Location	Quote
Phase transition	613 K	613	Ba3Ge4	experimental	[1] Benhafid 2019	p. 3 report	Two new compounds were observed: Ba5Ge3, peritectically formed at 1213 K and dimorphic Ba3Ge4, melting by peritectic reaction at 1188 K and transformed to low temperature form at about 613 K.
Phase transition	1253 K	1253	congruent melting: Liq -> BaGe Liq: Ge 0.5; BaGe: Ge 0.5	experimental	[1] Benhafid 2019 cites Pani 2008 doi	Table 7, p. 9, row 11 report
Phase transition	1253 K	1253	congruent melting: Liq -> BaGe Liq: Ge 0.5; BaGe: Ge 0.5	model	[1] Benhafid 2019	Table 7, p. 9, row 12 report
Phase transition	1253 K	1253	congruent transformation	experimental	[1] Benhafid 2019	p. 3 report	Three congruently melting points were determined at 1273 K for Ba2Ge, 1253 K for BaGe and 1378 K for BaGe2.
Phase transition	1273 K	1273	congruent melting: Liq -> Ba2Ge Liq: Ge 0.333; Ba2Ge: Ge 0.333	experimental	[1] Benhafid 2019 cites Pani 2008 doi	Table 7, p. 9, row 4 report
Phase transition	1273 K	1273	congruent transformation	experimental	[1] Benhafid 2019	p. 3 report	Three congruently melting points were determined at 1273 K for Ba2Ge, 1253 K for BaGe and 1378 K for BaGe2.
Phase transition	1273.2 K	1273.2	congruent melting: Liq -> Ba2Ge Liq: Ge 0.333; Ba2Ge: Ge 0.333	model	[1] Benhafid 2019	Table 7, p. 9, row 5 report
Phase transition	1378 K	1378	congruent melting: Liq -> BaGe2 Liq: Ge 0.667; BaGe2: Ge 0.667	experimental	[1] Benhafid 2019 cites Pani 2008 doi	Table 7, p. 9, row 17 report
Phase transition	1378 K	1378	congruent transformation	experimental	[1] Benhafid 2019	p. 3 report	Three congruently melting points were determined at 1273 K for Ba2Ge, 1253 K for BaGe and 1378 K for BaGe2.
Phase transition	1378.69 K	1378.69	congruent melting: Liq -> BaGe2 Liq: Ge 0.667; BaGe2: Ge 0.667	model	[1] Benhafid 2019	Table 7, p. 9, row 18 report
Phase transition	1428 K	1428	congruent melting: Liq -> BaGe Liq: Ge 0.5; BaGe: Ge 0.5	experimental	[1] Benhafid 2019 cites Massalski 1990	Table 7, p. 9, row 10 report
Phase transition	1428 K	1428	congruent transformation	model	[1] Benhafid 2019 cites Massalski 1990	p. 3 report	This diagram presents four intermetallic compounds: BaGe melting congruently at 1428 K, while the Ba2Ge, BaGe2 and BaGe4 are formed by peritectic reactions at 1228, 1323 and 1088 K successively.

Formation (8)

Formation, Ba–Ge system
Property	Value	Phases / composition	Class	Source	Location
Entropy of formation printed: ΔfS	-1.362 J/mol-atom/K	Ba2Ge alloy: Ba 0.666667, Ge 0.333333	model	[1] Benhafid 2019	Table 3, p. 4, row 20 report
Entropy of formation printed: ΔfS	-4.319 J/mol-atom/K	Ba5Ge3 alloy: Ba 0.625, Ge 0.375	model	[1] Benhafid 2019	Table 3, p. 4, row 22 report
Entropy of formation printed: ΔfS	-0.939 J/mol-atom/K	Ba6Ge25 alloy: Ba 0.193548, Ge 0.806452	model	[1] Benhafid 2019	Table 3, p. 4, row 30 report
Entropy of formation printed: ΔfS	3.553 J/mol-atom/K	Ba8Ge43 alloy: Ba 0.156863, Ge 0.843137	model	[1] Benhafid 2019	Table 3, p. 4, row 31 report
Entropy of formation printed: ΔfS	-2.606 J/mol-atom/K	BaGe alloy: Ba 0.5, Ge 0.5	model	[1] Benhafid 2019	Table 3, p. 4, row 24 report
Entropy of formation printed: ΔfS	-1.626 J/mol-atom/K	BaGe2 alloy: Ba 0.333333, Ge 0.666667	model	[1] Benhafid 2019	Table 3, p. 4, row 29 report
Entropy of formation printed: ΔfS	-3.8419 J/mol-atom/K	α- Ba3Ge4 alloy: Ba 0.428571, Ge 0.571429	model	[1] Benhafid 2019	Table 3, p. 4, row 25 report
Entropy of formation printed: ΔfS	-3.041 J/mol-atom/K	β- Ba3Ge4 alloy: Ba 0.428571, Ge 0.571429	model	[1] Benhafid 2019	Table 3, p. 4, row 27 report

Crystal structure (66)

Crystal structure, Ba–Ge system
Property	Value	T (K)	Phases / composition	Class	Source	Location
Lattice a	8.429 Å	0	Ba2Ge Ba2Ge: Ba 0.667, Ge 0.333	DFT	[1] Benhafid 2019	Table 2, p. 3, row 5 report
Lattice a	8.539 Å	0	Ba5Ge3 Ba5Ge3: Ba 0.625, Ge 0.375	DFT	[1] Benhafid 2019	Table 2, p. 3, row 8 report
Lattice a	5.07 Å	0	BaGe BaGe: Ba 0.5, Ge 0.5	DFT	[1] Benhafid 2019	Table 2, p. 3, row 11 report
Lattice a	9.15 Å	0	BaGe2 BaGe2: Ba 0.333, Ge 0.667	DFT	[1] Benhafid 2019	Table 2, p. 3, row 18 report
Lattice a	8.55 Å	0	β-Ba3Ge4 β-Ba3Ge4: Ba 0.429, Ge 0.571	DFT	[1] Benhafid 2019	Table 2, p. 3, row 15 report
Lattice a	8.621 Å		β-Ba3Ge4 β-Ba3Ge4: Ba 0.429, Ge 0.571	unspecified	[1] Benhafid 2019 cites Zurcher 1998 doi	Table 2, p. 3, row 14 report
Lattice a	8.38 Å	298.15	Ba2Ge Ba2Ge: Ba 0.667, Ge 0.333	experimental	[1] Benhafid 2019 cites Turban 1973 doi	Table 2, p. 3, row 3 report
Lattice a	8.419 Å	298.15	Ba2Ge Ba2Ge: Ba 0.667, Ge 0.333	unspecified	[1] Benhafid 2019 cites Pani 2008 doi	Table 2, p. 3, row 4 report
Lattice a	8.519 Å	298.15	Ba5Ge3 Ba5Ge3: Ba 0.625, Ge 0.375	experimental	[1] Benhafid 2019 cites Nesper 1999	Table 2, p. 3, row 7 report
Lattice a	8.538 Å	298.15	Ba5Ge3 Ba5Ge3: Ba 0.625, Ge 0.375	unspecified	[1] Benhafid 2019 cites Pani 2008 doi	Table 2, p. 3, row 6 report
Lattice a	14.5635 Å	298.15	Ba6Ge25 Ba6Ge25: Ba 0.194, Ge 0.806	experimental	[1] Benhafid 2019 cites Fukuoka 2000 doi	Table 2, p. 3, row 20 report
Lattice a	14.56 Å	298.15	Ba6Ge25 Ba6Ge25: Ba 0.194, Ge 0.806	unspecified	[1] Benhafid 2019 cites Pani 2008 doi	Table 2, p. 3, row 19 report
Lattice a	14.5564 Å	298.15	Ba6Ge25 Ba6Ge25: Ba 0.194, Ge 0.806	experimental	[1] Benhafid 2019 cites Carrillo-Cabrera 2000 doi	Table 2, p. 3, row 21 report
Lattice a	21.312 Å	298.15	Ba8Ge43 Ba8Ge43: Ba 0.157, Ge 0.843	experimental	[1] Benhafid 2019 cites Carrillo-Cabrera 2004	Table 2, p. 3, row 23 report
Lattice a	21.303 Å	298.15	Ba8Ge43 Ba8Ge43: Ba 0.157, Ge 0.843	unspecified	[1] Benhafid 2019 cites Pani 2008 doi	Table 2, p. 3, row 24 report
Lattice a	5.062 Å	298.15	BaGe BaGe: Ba 0.5, Ge 0.5	unspecified	[1] Benhafid 2019 cites Pani 2008 doi	Table 2, p. 3, row 10 report
Lattice a	5.057 Å	298.15	BaGe BaGe: Ba 0.5, Ge 0.5	experimental	[1] Benhafid 2019 cites Rieger 1967 doi	Table 2, p. 3, row 9 report
Lattice a	9.05 Å	298.15	BaGe2 BaGe2: Ba 0.333, Ge 0.667	experimental	[1] Benhafid 2019 cites Evers 1977 doi	Table 2, p. 3, row 16 report
Lattice a	9.076 Å	298.15	BaGe2 BaGe2: Ba 0.333, Ge 0.667	unspecified	[1] Benhafid 2019 cites Pani 2008 doi	Table 2, p. 3, row 17 report
Lattice a	10.727 Å	298.15	BaGe5 BaGe5: Ba 0.167, Ge 0.833	unspecified	[1] Benhafid 2019 cites Aydemir 2010 doi	Table 2, p. 3, row 22 report
Lattice a	11.789 Å	298.15	α-Ba3Ge4 α-Ba3Ge4: Ba 0.429, Ge 0.571	unspecified	[1] Benhafid 2019 cites Pani 2008 doi	Table 2, p. 3, row 12 report
Lattice a	11.799 Å	298.15	α-Ba3Ge4 α-Ba3Ge4: Ba 0.429, Ge 0.571	unspecified	[1] Benhafid 2019 cites Zurcher 1998 doi	Table 2, p. 3, row 13 report
Lattice b	5.495 Å	0	Ba2Ge Ba2Ge: Ba 0.667, Ge 0.333	DFT	[1] Benhafid 2019	Table 2, p. 3, row 5 report
Lattice b	8.539 Å	0	Ba5Ge3 Ba5Ge3: Ba 0.625, Ge 0.375	DFT	[1] Benhafid 2019	Table 2, p. 3, row 8 report
Lattice b	11.995 Å	0	BaGe BaGe: Ba 0.5, Ge 0.5	DFT	[1] Benhafid 2019	Table 2, p. 3, row 11 report
Lattice b	6.87 Å	0	BaGe2 BaGe2: Ba 0.333, Ge 0.667	DFT	[1] Benhafid 2019	Table 2, p. 3, row 18 report
Lattice b	8.55 Å	0	β-Ba3Ge4 β-Ba3Ge4: Ba 0.429, Ge 0.571	DFT	[1] Benhafid 2019	Table 2, p. 3, row 15 report
Lattice b	8.621 Å		β-Ba3Ge4 β-Ba3Ge4: Ba 0.429, Ge 0.571	unspecified	[1] Benhafid 2019 cites Zurcher 1998 doi	Table 2, p. 3, row 14 report
Lattice b	5.48 Å	298.15	Ba2Ge Ba2Ge: Ba 0.667, Ge 0.333	experimental	[1] Benhafid 2019 cites Turban 1973 doi	Table 2, p. 3, row 3 report
Lattice b	5.444 Å	298.15	Ba2Ge Ba2Ge: Ba 0.667, Ge 0.333	unspecified	[1] Benhafid 2019 cites Pani 2008 doi	Table 2, p. 3, row 4 report
Lattice b	8.519 Å	298.15	Ba5Ge3 Ba5Ge3: Ba 0.625, Ge 0.375	experimental	[1] Benhafid 2019 cites Nesper 1999	Table 2, p. 3, row 7 report
Lattice b	8.538 Å	298.15	Ba5Ge3 Ba5Ge3: Ba 0.625, Ge 0.375	unspecified	[1] Benhafid 2019 cites Pani 2008 doi	Table 2, p. 3, row 6 report
Lattice b	14.5635 Å	298.15	Ba6Ge25 Ba6Ge25: Ba 0.194, Ge 0.806	experimental	[1] Benhafid 2019 cites Fukuoka 2000 doi	Table 2, p. 3, row 20 report
Lattice b	14.56 Å	298.15	Ba6Ge25 Ba6Ge25: Ba 0.194, Ge 0.806	unspecified	[1] Benhafid 2019 cites Pani 2008 doi	Table 2, p. 3, row 19 report
Lattice b	14.5564 Å	298.15	Ba6Ge25 Ba6Ge25: Ba 0.194, Ge 0.806	experimental	[1] Benhafid 2019 cites Carrillo-Cabrera 2000 doi	Table 2, p. 3, row 21 report
Lattice b	21.312 Å	298.15	Ba8Ge43 Ba8Ge43: Ba 0.157, Ge 0.843	experimental	[1] Benhafid 2019 cites Carrillo-Cabrera 2004	Table 2, p. 3, row 23 report
Lattice b	21.303 Å	298.15	Ba8Ge43 Ba8Ge43: Ba 0.157, Ge 0.843	unspecified	[1] Benhafid 2019 cites Pani 2008 doi	Table 2, p. 3, row 24 report
Lattice b	11.954 Å	298.15	BaGe BaGe: Ba 0.5, Ge 0.5	unspecified	[1] Benhafid 2019 cites Pani 2008 doi	Table 2, p. 3, row 10 report
Lattice b	11.942 Å	298.15	BaGe BaGe: Ba 0.5, Ge 0.5	experimental	[1] Benhafid 2019 cites Rieger 1967 doi	Table 2, p. 3, row 9 report
Lattice b	6.83 Å	298.15	BaGe2 BaGe2: Ba 0.333, Ge 0.667	experimental	[1] Benhafid 2019 cites Evers 1977 doi	Table 2, p. 3, row 16 report
Lattice b	6.812 Å	298.15	BaGe2 BaGe2: Ba 0.333, Ge 0.667	unspecified	[1] Benhafid 2019 cites Pani 2008 doi	Table 2, p. 3, row 17 report
Lattice b	92.844 Å	298.15	BaGe5 BaGe5: Ba 0.167, Ge 0.833	unspecified	[1] Benhafid 2019 cites Aydemir 2010 doi	Table 2, p. 3, row 22 report
Lattice b	12.197 Å	298.15	α-Ba3Ge4 α-Ba3Ge4: Ba 0.429, Ge 0.571	unspecified	[1] Benhafid 2019 cites Pani 2008 doi	Table 2, p. 3, row 12 report
Lattice b	12.21 Å	298.15	α-Ba3Ge4 α-Ba3Ge4: Ba 0.429, Ge 0.571	unspecified	[1] Benhafid 2019 cites Zurcher 1998 doi	Table 2, p. 3, row 13 report
Lattice c	10.11 Å	0	Ba2Ge Ba2Ge: Ba 0.667, Ge 0.333	DFT	[1] Benhafid 2019	Table 2, p. 3, row 5 report
Lattice c	16.563 Å	0	Ba5Ge3 Ba5Ge3: Ba 0.625, Ge 0.375	DFT	[1] Benhafid 2019	Table 2, p. 3, row 8 report
Lattice c	4.31 Å	0	BaGe BaGe: Ba 0.5, Ge 0.5	DFT	[1] Benhafid 2019	Table 2, p. 3, row 11 report
Lattice c	11.73 Å	0	BaGe2 BaGe2: Ba 0.333, Ge 0.667	DFT	[1] Benhafid 2019	Table 2, p. 3, row 18 report
Lattice c	12.137 Å	0	β-Ba3Ge4 β-Ba3Ge4: Ba 0.429, Ge 0.571	DFT	[1] Benhafid 2019	Table 2, p. 3, row 15 report
Lattice c	12.031 Å		β-Ba3Ge4 β-Ba3Ge4: Ba 0.429, Ge 0.571	unspecified	[1] Benhafid 2019 cites Zurcher 1998 doi	Table 2, p. 3, row 14 report
Lattice c	10.04 Å	298.15	Ba2Ge Ba2Ge: Ba 0.667, Ge 0.333	experimental	[1] Benhafid 2019 cites Turban 1973 doi	Table 2, p. 3, row 3 report
Lattice c	10.068 Å	298.15	Ba2Ge Ba2Ge: Ba 0.667, Ge 0.333	unspecified	[1] Benhafid 2019 cites Pani 2008 doi	Table 2, p. 3, row 4 report
Lattice c	16.554 Å	298.15	Ba5Ge3 Ba5Ge3: Ba 0.625, Ge 0.375	experimental	[1] Benhafid 2019 cites Nesper 1999	Table 2, p. 3, row 7 report
Lattice c	16.495 Å	298.15	Ba5Ge3 Ba5Ge3: Ba 0.625, Ge 0.375	unspecified	[1] Benhafid 2019 cites Pani 2008 doi	Table 2, p. 3, row 6 report
Lattice c	14.563 Å	298.15	Ba6Ge25 Ba6Ge25: Ba 0.194, Ge 0.806	experimental	[1] Benhafid 2019 cites Fukuoka 2000 doi	Table 2, p. 3, row 20 report
Lattice c	14.56 Å	298.15	Ba6Ge25 Ba6Ge25: Ba 0.194, Ge 0.806	unspecified	[1] Benhafid 2019 cites Pani 2008 doi	Table 2, p. 3, row 19 report
Lattice c	14.556 Å	298.15	Ba6Ge25 Ba6Ge25: Ba 0.194, Ge 0.806	experimental	[1] Benhafid 2019 cites Carrillo-Cabrera 2000 doi	Table 2, p. 3, row 21 report
Lattice c	21.312 Å	298.15	Ba8Ge43 Ba8Ge43: Ba 0.157, Ge 0.843	experimental	[1] Benhafid 2019 cites Carrillo-Cabrera 2004	Table 2, p. 3, row 23 report
Lattice c	21.303 Å	298.15	Ba8Ge43 Ba8Ge43: Ba 0.157, Ge 0.843	unspecified	[1] Benhafid 2019 cites Pani 2008 doi	Table 2, p. 3, row 24 report
Lattice c	4.301 Å	298.15	BaGe BaGe: Ba 0.5, Ge 0.5	unspecified	[1] Benhafid 2019 cites Pani 2008 doi	Table 2, p. 3, row 10 report
Lattice c	4.299 Å	298.15	BaGe BaGe: Ba 0.5, Ge 0.5	experimental	[1] Benhafid 2019 cites Rieger 1967 doi	Table 2, p. 3, row 9 report
Lattice c	11.65 Å	298.15	BaGe2 BaGe2: Ba 0.333, Ge 0.667	experimental	[1] Benhafid 2019 cites Evers 1977 doi	Table 2, p. 3, row 16 report
Lattice c	11.642 Å	298.15	BaGe2 BaGe2: Ba 0.333, Ge 0.667	unspecified	[1] Benhafid 2019 cites Pani 2008 doi	Table 2, p. 3, row 17 report
Lattice c	14.794 Å	298.15	BaGe5 BaGe5: Ba 0.167, Ge 0.833	unspecified	[1] Benhafid 2019 cites Aydemir 2010 doi	Table 2, p. 3, row 22 report
Lattice c	12.09 Å	298.15	α-Ba3Ge4 α-Ba3Ge4: Ba 0.429, Ge 0.571	unspecified	[1] Benhafid 2019 cites Pani 2008 doi	Table 2, p. 3, row 12 report
Lattice c	12.097 Å	298.15	α-Ba3Ge4 α-Ba3Ge4: Ba 0.429, Ge 0.571	unspecified	[1] Benhafid 2019 cites Zurcher 1998 doi	Table 2, p. 3, row 13 report

Sources

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

R. Benhafid, A. Belgacem Bouzida, Y. Djaballah, A. Candan, A. İyigör, G. Uğur, Thermodynamic Modeling of the Al-Ba and Ba-Ge Systems Supported by First-Principles Calculations, J. Phase Equilib. Diffus. 40, 195-205 (2019). doi:10.1007/s11669-019-00714-2

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}
}