B–Zr system

45 accepted literature values from 4 paper(s) (experimental 13, model 28, DFT 4); 0 calculated phase diagram(s). 2 further extracted value(s) not accepted by the reader-agreement checks are only in the JSON/CSV.

Data: JSON · CSV · interactive explorer · phases (10) · papers (bibliography) · Markdown

Accepted values by evidence class
Evidence class	Values
experimental	13
model	28
DFT	4

Accepted values by property group
Property group	Values
invariant reaction	30
phase transition	3
formation	12

Convex hulls: Materials Project DFT hull · OQMD DFT hull · CALPHAD hull ZrB-08Tok · CALPHAD hull ZrB-09Che · CALPHAD hull ZrB-11Cac · CALPHAD hull ZrB-98Dus-LB

Invariant reactions (literature)

Invariant reactions reported in the literature for the B–Zr system (30)
T (K)	Reaction / phases	Compositions (mole fraction)	Class	Source	Location
3518	congruent melting: L -> ZrB2	L: Zr 0.66; ZrB2: B 0.666667, Zr 0.333333	experimental	[1] Chen 2009 cites Rudy 1966	Table 4, p. 5, row 4 report
3506	congruent melting: L -> ZrB2	L: Zr 0.666; ZrB2: B 0.666667, Zr 0.333333	model	[1] Chen 2009	Table 4, p. 5, row 6 report
3500	congruent melting: L -> ZrB2	L: B 0.666667, Zr 0.333333; ZrB2: B 0.666667, Zr 0.333333	experimental	[1] Chen 2009 cites Portnoi 1970	Table 4, p. 5, row 5 report
2523	peritectic: L + ZrB2 -> ZrB12	L: Zr 0.91; ZrB2: B 0.666667, Zr 0.333333; ZrB12: B 0.923077, Zr 0.076923	experimental	[1] Chen 2009 cites Rudy 1966	Table 4, p. 5, row 7 report
2362.15	peritectic: L + ZrB2 -> ZrB12	L: B 0.938; ZrB2: B 0.675; ZrB12: B 0.923	model	[2] Cacciamani 2011	Table 4, p. 6, row 2 report
2310.15	peritectic: L + ZrB2 = ZrB12	L: B 0.939; ZrB2: B 0.666667; ZrB12: B 0.923077	model	[3] Pan 2019 cites Chen 2009 doi	Table 2, p. 4, row 5 report
2310	peritectic: L + ZrB2 -> ZrB12	L: Zr 0.939; ZrB2: B 0.666667, Zr 0.333333; ZrB12: B 0.923077, Zr 0.076923	model	[1] Chen 2009	Table 4, p. 5, row 9 report
2309.15	peritectic: L + ZrB2 = ZrB12	L: B 0.94; ZrB2: B 0.666667; ZrB12: B 0.923077	model	[3] Pan 2019	Table 2, p. 4, row 6 report
2303	peritectic: L + ZrB2 -> ZrB12	L: Zr 0.92; ZrB2: B 0.666667, Zr 0.333333; ZrB12: B 0.923077, Zr 0.076923	experimental	[1] Chen 2009 cites Portnoi 1970	Table 4, p. 5, row 8 report
2299.15	eutectic: L -> B + ZrB12	L: B 0.967; B: B 1; ZrB12: B 0.923	model	[2] Cacciamani 2011	Table 4, p. 6, row 3 report
2282.15	eutectic: L = ZrB12 + (βB)	L: B 0.9573; ZrB12: B 0.923077	model	[3] Pan 2019	Table 2, p. 4, row 8 report
2282.15	eutectic: L = ZrB12 + (βB)	L: B 0.957; ZrB12: B 0.923077	model	[3] Pan 2019 cites Chen 2009 doi	Table 2, p. 4, row 7 report
2282	eutectic: L -> ZrB12+β-B	L: Zr 0.957; ZrB12: B 0.923077, Zr 0.076923	model	[1] Chen 2009	Table 4, p. 5, row 12 report
2273	eutectic: L -> ZrB12+β-B	L: Zr 0.98; ZrB12: B 0.923077, Zr 0.076923	experimental	[1] Chen 2009 cites Rudy 1966	Table 4, p. 5, row 10 report
2248	eutectic: L -> ZrB12+β-B	L: Zr 0.96; ZrB12: B 0.923077, Zr 0.076923	experimental	[1] Chen 2009 cites Portnoi 1970	Table 4, p. 5, row 11 report
1988.15	eutectoid: ZrB12 = ZrB2 + β-B	ZrB12: B 0.923077; ZrB2: B 0.666667	model	[3] Pan 2019	Table 2, p. 4, row 10 report
1984.15	eutectoid: ZrB12 = ZrB2 + β-B	ZrB12: B 0.923077; ZrB2: B 0.666667	model	[3] Pan 2019 cites Chen 2009 doi	Table 2, p. 4, row 9 report
1984	eutectoid: ZrB12 -> ZrB2+β-B	ZrB12: B 0.923077, Zr 0.076923; ZrB2: B 0.666667, Zr 0.333333	model	[1] Chen 2009	Table 4, p. 5, row 14 report
1983	eutectoid: ZrB12 -> ZrB2+β-B	ZrB12: B 0.923077, Zr 0.076923; ZrB2: B 0.666667, Zr 0.333333	experimental	[1] Chen 2009 cites Rudy 1966	Table 4, p. 5, row 13 report
1963.15	eutectic: L -> ZrB2 + bcc-Zr	L: B 0.135; ZrB2: B 0.667; bcc-Zr: B 0.01	model	[2] Cacciamani 2011	Table 4, p. 6, row 4 report
1953	eutectic: L -> ZrB2 + bcc-Zr	L: Zr 0.14; ZrB2: B 0.666667, Zr 0.333333	experimental	[1] Chen 2009 cites Portnoi 1970	Table 4, p. 5, row 2 report
1934.15	eutectic: L = ZrB2 + (βZr)	L: B 0.124; ZrB2: B 0.666667	model	[3] Pan 2019	Table 2, p. 4, row 2 report
1934.15	eutectic: L = ZrB2 + (βZr)	L: B 0.1242; ZrB2: B 0.666667	model	[3] Pan 2019 cites Chen 2009 doi	Table 2, p. 4, row 1 report
1934	eutectic: L -> ZrB2 + bcc-Zr	L: Zr 0.1242; ZrB2: B 0.666667, Zr 0.333333	model	[1] Chen 2009	Table 4, p. 5, row 3 report
1933	eutectic: L -> ZrB2 + bcc-Zr	L: Zr 0.12; ZrB2: B 0.666667, Zr 0.333333	experimental	[1] Chen 2009 cites Rudy 1966	Table 4, p. 5, row 1 report
1523.15	peritectoid: ZrB2 + (βZr) = ZrB	ZrB2: B 0.666667; ZrB: B 0.5	model	[3] Pan 2019	Table 2, p. 4, row 12 report
1523.15	peritectoid: ZrB2 + (βZr) = ZrB	ZrB2: B 0.666667; ZrB: B 0.5	model	[3] Pan 2019 cites Chen 2009 doi	Table 2, p. 4, row 11 report
1523	peritectoid: ZrB2+bcc-Zr -> ZrB	ZrB2: B 0.666667, Zr 0.333333; ZrB: B 0.5, Zr 0.5	experimental	[1] Chen 2009 cites Glaser 1953	Table 4, p. 5, row 16 report
1523	peritectoid: ZrB2+bcc-Zr -> ZrB	ZrB2: B 0.666667, Zr 0.333333; ZrB: B 0.5, Zr 0.5	model	[1] Chen 2009	Table 4, p. 5, row 17 report
1461.15	peritectoid: ZrB2 + bcc-Zr -> ZrB	ZrB2: B 0.667; bcc-Zr: B 0.001; ZrB: B 0.5	model	[2] Cacciamani 2011	Table 4, p. 6, row 5 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, B–Zr system (12)
Phase	Value	T (K)	Class	Source	Location	Quote
ZrB(FeB-type)	-79.3 unknown		model	[4] Tokunaga 2008 cites Rogl 1988 doi	Table 2, p. 5, row 4 report
ZrB(FeB-type)	-72.6 unknown		model	[4] Tokunaga 2008	Table 2, p. 5, row 3 report
ZrB(FeB-type)	-67.1 unknown	0	DFT	[4] Tokunaga 2008	Table 2, p. 5, row 2 report
ZrB(NaCl-type)	-39.6 unknown	0	DFT	[4] Tokunaga 2008	Table 2, p. 5, row 1 report
ZrB12	-24.1 unknown	0	DFT	[4] Tokunaga 2008	Table 2, p. 5, row 10 report
ZrB12	-22.5 unknown		model	[4] Tokunaga 2008	Table 2, p. 5, row 11 report
ZrB2	-108.9 unknown ± 2.1	298.15	experimental	[4] Tokunaga 2008 cites Johnson 1967 doi	Table 2, p. 5, row 8 report
ZrB2	-107.7 unknown ± 1.7	298.15	experimental	[4] Tokunaga 2008 cites Huber 1964 doi	Table 2, p. 5, row 7 report
ZrB2	-107.368 kJ/mol (basis unstated)	298.15	model	[3] Pan 2019	p. 8 report	The calculated enthalpy of formation of solid phases at 298 K is shown in Fig. 4 and the enthalpy of formation for ZrB2 was optimized to be - 107,368 J/mol, in accordance with the experimental values.[19,20]
ZrB2	-100.6 unknown		model	[4] Tokunaga 2008	Table 2, p. 5, row 6 report
ZrB2	-100.3 unknown	0	DFT	[4] Tokunaga 2008	Table 2, p. 5, row 5 report
ZrB2	-93 unknown	298.15	experimental	[4] Tokunaga 2008 cites Kirpichev 1979	Table 2, p. 5, row 9 report

Other properties

Phase transition (3)

Phase transition, B–Zr system
Property	Value	T (K)	Phases / composition	Class	Source	Location
Phase transition	3503.15 K	3503.15	congruent melting: L = ZrB2 L: B 0.6667; ZrB2: B 0.666667	model	[3] Pan 2019	Table 2, p. 4, row 4 report
Phase transition	3506.15 K	3506.15	congruent melting: L = ZrB2 L: B 0.666; ZrB2: B 0.666667	model	[3] Pan 2019 cites Chen 2009 doi	Table 2, p. 4, row 3 report
Phase transition	3516.15 K	3516.15	congruent melting: L -> ZrB2 L: B 0.667; ZrB2: B 0.667	model	[2] Cacciamani 2011	Table 4, p. 6, row 1 report

Sources

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

H.M. Chen, F. Zheng, H.S. Liu, L.B. Liu, Z.P. Jin, Thermodynamic assessment of B–Zr and Si–Zr binary systems, Journal of Alloys and Compounds 468, 209-216 (2009). doi:10.1016/j.jallcom.2008.01.061
G. Cacciamani, P. Riani, F. Valenza, Equilibrium between MB2 (M=Ti,Zr,Hf) UHTC and Ni: A thermodynamic database for the B–Hf–Ni–Ti–Zr system, Calphad 35, 601-619 (2011). doi:10.1016/j.calphad.2011.10.003
Yafei Pan, Cong Zhang, Jiuxing Zhang, Lei Huang, Xinyu Yang, Yong Du et al., Thermodynamic Modeling of the B-Ti-Zr System Over the Whole Composition and Temperature Ranges, J. Phase Equilib. Diffus. 40, 364-374 (2019). doi:10.1007/s11669-019-00728-w
Tatsuya Tokunaga, Ken Terashima, Hiroshi Ohtani, Mitsuhiro Hasebe, Thermodynamic Analysis of the Phase Equilibria in the Fe-Zr-B System, Mater. Trans. 49, 2534-2540 (2008). doi:10.2320/matertrans.mb200809

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-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); 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); 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. 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_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}
}