# B–Nb system

> B–Nb system: 68 accepted literature values (invariant reaction 32, crystal structure 19, heat capacity / entropy / enthalpy 9, formation 8) and 0 calculated phase diagram(s) from ORCHID, each value with evidence class, source, page and quote.

HTML: https://data.orchid-project.org/systems/B-NB.html · Markdown: https://data.orchid-project.org/systems/B-NB.md

68 accepted literature values from 3 paper(s) (experimental 21, model 22, DFT 6, unspecified 19); 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](https://data.orchid-project.org/literature/systems/B-NB.json) · [CSV](https://data.orchid-project.org/systems/B-NB.csv) · [interactive explorer](https://orchid-project.org/data-explorer/#B-NB) · [phases (11)](https://data.orchid-project.org/phases/pages/B-NB.html) · [papers (bibliography)](https://data.orchid-project.org/bibliography/pages/systems/B-NB.html) · [Markdown](https://data.orchid-project.org/systems/B-NB.md)

Table: Accepted values by evidence class

| Evidence class | Values |
|---|---:|
| experimental | 21 |
| model | 22 |
| DFT | 6 |
| unspecified | 19 |

Table: Accepted values by property group

| Property group | Values |
|---|---:|
| invariant reaction | 32 |
| formation | 8 |
| heat capacity / entropy / enthalpy | 9 |
| crystal structure | 19 |

Convex hulls: [Materials Project DFT hull](https://data.orchid-project.org/hulls/dft-mp/B/B-NB.json) · [OQMD DFT hull](https://data.orchid-project.org/hulls/dft-oqmd/B/B-NB.json) · [CALPHAD hull NbB-07Pec](https://data.orchid-project.org/hulls/calphad-sgte/B/B-NB--NbB-07Pec.json) · [CALPHAD hull NbB-08Wit](https://data.orchid-project.org/hulls/calphad-sgte/B/B-NB--NbB-08Wit.json) · [CALPHAD hull NbB-08Yos](https://data.orchid-project.org/hulls/calphad-sgte/B/B-NB--NbB-08Yos.json) · [CALPHAD hull NbB-09Nak](https://data.orchid-project.org/hulls/calphad-sgte/B/B-NB--NbB-09Nak.json)

## Invariant reactions (literature)

Table: Invariant reactions reported in the literature for the B–Nb system (32)

| T (K) | Reaction / phases | Compositions (mole fraction) | Class | Source | Location | Quote |
|---:|---|---|---|---|---|---|
| 3313 | congruent melting: L \<-> NbB2 | L: B 0.66; NbB2: B 0.66 | experimental | [1] Witusiewicz 2008; _cites Rudy 1969_ | Table 5, p. 5, row 26; `ORC-OK3SL43HH4` |  |
| 3308 | congruent melting: L \<-> NbB2 | L: B 0.667; NbB2: B 0.667 | model | [1] Witusiewicz 2008; _cites Kaufman 1984_ [doi](https://doi.org/10.1016/0364-5916%2884%2990026-9) | Table 5, p. 5, row 27; `ORC-44IUUMHSNX` |  |
| 3303 | congruent melting: L \<-> NbB2 | L: B 0.659; NbB2: B 0.659 | model | [1] Witusiewicz 2008 | Table 5, p. 5, row 28; `ORC-LQ5MBP62XP` |  |
| 3273 | congruent melting: L \<-> NbB2 | L: B 0.666; NbB2: B 0.666 | experimental | [1] Witusiewicz 2008; _cites Nowotny 1959_ | Table 5, p. 5, row 25; `ORC-5DGVYTNCDO` |  |
| 3212 | peritectic: L + NbB2 \<-> Nb3B4 | L: B 0.573; NbB2: B 0.61; Nb3B4: B 0.58 | experimental | [1] Witusiewicz 2008; _cites Rudy 1969_ | Table 5, p. 5, row 20; `ORC-ZT6JVCU2IA` |  |
| 3194 | congruent melting: L \<-> NbB | L: B 0.5; NbB: B 0.5 | experimental | [1] Witusiewicz 2008; _cites Rudy 1969_ | Table 5, p. 5, row 12; `ORC-X6KTREMNFW` |  |
| 3186 | peritectic: L + NbB2 \<-> Nb3B4 | L: B 0.527; NbB2: B 0.61; Nb3B4: B 0.571 | model | [1] Witusiewicz 2008 | Table 5, p. 5, row 22; `ORC-FTKBZ3BLME` |  |
| 3176 | congruent melting: L \<-> NbB | L: B 0.499; NbB: B 0.499 | model | [1] Witusiewicz 2008 | Table 5, p. 5, row 13; `ORC-ZBQWH5FRG4` |  |
| 3174.2 | peritectic: L + Nb3B4 \<-> Nb5B6 | L: B 0.514; Nb3B4: B 0.571; Nb5B6: B 0.545 | model | [1] Witusiewicz 2008 | Table 5, p. 5, row 18; `ORC-FDY4WHVIPK` |  |
| 3174.1 | eutectic: L \<-> NbB + Nb5B6 | L: B 0.514; NbB: B 0.499; Nb5B6: B 0.545 | model | [1] Witusiewicz 2008 | Table 5, p. 5, row 17; `ORC-YF6O2BOOQA` |  |
| 3169 | peritectic: L + NbB2 \<-> Nb3B4 | L: B 0.582; NbB2: B 0.7; Nb3B4: B 0.571 | model | [1] Witusiewicz 2008; _cites Kaufman 1984_ [doi](https://doi.org/10.1016/0364-5916%2884%2990026-9) | Table 5, p. 5, row 21; `ORC-ZNWYZDJ2DY` |  |
| 3137 | eutectic: L \<-> NbB + Nb3B4 | L: B 0.54; NbB: B 0.51; Nb3B4: B 0.575 | experimental | [1] Witusiewicz 2008; _cites Rudy 1969_ | Table 5, p. 5, row 15; `ORC-I4ZROGNJSX` |  |
| 3044 | eutectic: L \<-> NbB + Nb3B4 | L: B 0.582; NbB: B 0.5; Nb3B4: B 0.571 | model | [1] Witusiewicz 2008; _cites Kaufman 1984_ [doi](https://doi.org/10.1016/0364-5916%2884%2990026-9) | Table 5, p. 5, row 16; `ORC-7W43OQTTM2` |  |
| 3023 | eutectic: L \<-> NbB + Nb3B4 | L: B 0.53; NbB: B 0.5; Nb3B4: B 0.57 | experimental | [1] Witusiewicz 2008; _cites Nowotny 1959_ | Table 5, p. 5, row 14; `ORC-A3GUSPR7CJ` |  |
| 2993 | peritectic: L + NbB2 \<-> Nb3B4 | L: B 0.555; NbB2: B 0.64; Nb3B4: B 0.57 | experimental | [1] Witusiewicz 2008; _cites Nowotny 1959_ | Table 5, p. 5, row 19; `ORC-JLVXPI35HO` |  |
| 2650 | peritectoid: Nb3B4 + NbB2 \<-> Nb2B3 | Nb3B4: B 0.571; NbB2: B 0.659; Nb2B3: B 0.6 | model | [1] Witusiewicz 2008 | Table 5, p. 5, row 24; `ORC-5OVXVGYA5C` |  |
| 2563 | congruent melting: L \<-> NbB | L: B 0.5; NbB: B 0.5 | experimental | [1] Witusiewicz 2008; _cites Nowotny 1959_ | Table 5, p. 5, row 11; `ORC-S2XWB5XEJD` |  |
| 2463 | eutectic: L \<-> bcc + NbB | L: B 0.15; NbB: B 0.5, Nb 0.5 | experimental | [1] Witusiewicz 2008 | Table 5, p. 5, row 4; `ORC-4AQCE7VTRA` |  |
| 2453 | eutectic: L \<-> bcc + NbB | L: B 0.151; bcc: B 0.02; NbB: B 0.488 | model | [1] Witusiewicz 2008 | Table 5, p. 5, row 6; `ORC-NLKYLB2UKV` |  |
| 2443 | eutectic: L \<-> bcc + NbB | L: B 0.12; NbB: B 0.5, Nb 0.5 | experimental | [1] Witusiewicz 2008; _cites Pshokin 1971_ | Table 5, p. 5, row 3; `ORC-RSLQECDCOH` |  |
| 2441 | eutectic: L \<-> bcc + NbB | L: B 0.19; bcc: B 0.02; NbB: B 0.49 | experimental | [1] Witusiewicz 2008; _cites Rudy 1969_ | Table 5, p. 5, row 2; `ORC-2RT6QBRX6G` |  |
| 2439 | eutectic: L \<-> bcc + NbB | L: B 0.151; bcc: B 0.005; NbB: B 0.5 | model | [1] Witusiewicz 2008; _cites Kaufman 1984_ [doi](https://doi.org/10.1016/0364-5916%2884%2990026-9) | Table 5, p. 5, row 5; `ORC-QXM76MQ2LK` |  |
| 2353 | peritectoid: bcc + NbB \<-> Nb3B2 | bcc: B 0.009; NbB: B 0.5; Nb3B2: B 0.4 | experimental | [1] Witusiewicz 2008; _cites Rudy 1969_ | Table 5, p. 5, row 8; `ORC-VTSR6ESDAS` |  |
| 2350 | peritectoid: bcc + NbB \<-> Nb3B2 | bcc: B 0.019; NbB: B 0.49; Nb3B2: B 0.4 | model | [1] Witusiewicz 2008 | Table 5, p. 5, row 10; `ORC-37NWD7EBKS` |  |
| 2310 | eutectic: L \<-> NbB2 + (βB) | L: B 0.98; NbB2: B 0.7; (βB): B 0.995 | experimental | [1] Witusiewicz 2008; _cites Rudy 1969_ | Table 5, p. 5, row 30; `ORC-DX7U4F2QAQ` |  |
| 2285 | eutectic: L \<-> NbB2 + (βB) | L: B 0.954; NbB2: B 0.703; (βB): B 0.995 | model | [1] Witusiewicz 2008 | Table 5, p. 5, row 32; `ORC-47EJPNFKY5` |  |
| 2234 | eutectic: L \<-> NbB2 + (βB) | L: B 0.958; NbB2: B 0.7; (βB): B 1 | model | [1] Witusiewicz 2008; _cites Kaufman 1984_ [doi](https://doi.org/10.1016/0364-5916%2884%2990026-9) | Table 5, p. 5, row 31; `ORC-FGTOW63ZPR` |  |
| 2213 | eutectic: L \<-> NbB2 + (βB) | L: B 0.91; NbB2: B 0.74; (βB): B 0.975 | experimental | [1] Witusiewicz 2008; _cites Nowotny 1959_ | Table 5, p. 5, row 29; `ORC-A4DJ2PHAMS` |  |
| 2209 | peritectoid: bcc + NbB \<-> Nb3B2 | bcc: B 0.003; NbB: B 0.5; Nb3B2: B 0.4 | model | [1] Witusiewicz 2008; _cites Kaufman 1984_ [doi](https://doi.org/10.1016/0364-5916%2884%2990026-9) | Table 5, p. 5, row 9; `ORC-PWPRQQJNWO` |  |
| 2113 | peritectic: L + NbB \<-> Nb3B2 | L: B 0.385; NbB: B 0.5; Nb3B2: B 0.4 | experimental | [1] Witusiewicz 2008; _cites Nowotny 1959_ | Table 5, p. 5, row 7; `ORC-WGKQ62JYXH` |  |
| 1973 | other: ? \<-> Nb2B3 | ?: B 0.6, Nb 0.4; Nb2B3: B 0.6, Nb 0.4 | experimental | [1] Witusiewicz 2008; _cites Okada 1991_ | Table 5, p. 5, row 23; `ORC-TZ5T6OWYPK` |  |
| 1873 | eutectic: L \<-> bcc + Nb3B2 | L: B 0.2; bcc: B 0.03; Nb3B2: B 0.4 | experimental | [1] Witusiewicz 2008; _cites Nowotny 1959_ | Table 5, p. 5, row 1; `ORC-3KFHEGW6NH` |  |

## 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](https://data.orchid-project.org/literature/dft_parity.json).

Table: Enthalpies of formation, B–Nb system (8)

| Phase | Compound | Value | T (K) | Class | MP DFT (kJ/mol-atom) | OQMD DFT (kJ/mol-atom) | Source | Location | Quote |
|---|---|---:|---:|---|---:|---:|---|---|---|
| NbB |  | -82.6 kJ/mol-atom | 0 | DFT |  |  | [2] Nakama 2009 | Table 4, p. 7, row 18; `ORC-2BUI7LDO7M.50b4cb` |  |
| NbB |  | -82.4 kJ/mol-atom | 0 | DFT |  |  | [2] Nakama 2009 | Table 4, p. 7, row 17; `ORC-IXSRASZFSQ.e7988d` |  |
| NbB |  | -82.2 kJ/mol-atom | 0 | DFT |  |  | [2] Nakama 2009 | Table 4, p. 7, row 16; `ORC-AMHAZHC3JG.b896d5` |  |
| NbB |  | -79.4 kJ/mol-atom | 0 | DFT |  |  | [2] Nakama 2009 | Table 4, p. 7, row 15; `ORC-DYDCD5U2H3.351c3e` |  |
| NbB |  | -79.2 kJ/mol-atom | 0 | DFT |  |  | [2] Nakama 2009 | Table 4, p. 7, row 14; `ORC-RQL5WHG5UA.11ab6c` |  |
| NbB |  | -78.7 kJ/mol-atom | 0 | DFT |  |  | [2] Nakama 2009 | Table 4, p. 7, row 12; `ORC-5CJQHQAMZU.7c1178` |  |
| NbB | [NbB](https://data.orchid-project.org/compounds/NbB.html) | -78.7 kJ/mol-atom |  | model | -74.259 (mp-aaaaadvg) | -74.633 (oqmd-7942) | [2] Nakama 2009; _cites Witusiewicz 2008_ [doi](https://doi.org/10.1016/j.jallcom.2007.02.030) | Table 4, p. 7, row 13; `ORC-BVDOQJWF5X.dd9159` |  |
| NbB | [NbB](https://data.orchid-project.org/compounds/NbB.html) | -67.9 kJ/mol-atom |  | model | -74.259 (mp-aaaaadvg) | -74.633 (oqmd-7942) | [2] Nakama 2009; _cites Witusiewicz 2008_ [doi](https://doi.org/10.1016/j.jallcom.2007.02.030) | Table 4, p. 7, row 20; `ORC-BET4M7LXLW.adac01` |  |

## Other properties

### Heat capacity / entropy / enthalpy (9)

Table: Heat capacity / entropy / enthalpy, B–Nb system

| Property | Value | T (K) | Phases / composition | Class | Source | Location | Quote |
|---|---:|---:|---|---|---|---|---|
| Entropy; _printed: Entropy at 298.15 K_ | 20.4 J/mol-atom/K | 298.15 | Nb3B2; _alloy: Nb 0.6_ | experimental | [3] Peçanha 2007; _cites Blinder 1991_ [doi](https://doi.org/10.1007/bf00794439) | Table 4, p. 6, row 4; `ORC-PC4VPHHPN2` |  |
| Entropy; _printed: Entropy at 298.15 K_ | 19.88 J/mol-atom/K | 298.15 | Nb3B2; _alloy: Nb 0.6_ | model | [3] Peçanha 2007 | Table 4, p. 6, row 3; `ORC-VPJLWQ2ZPF` |  |
| Entropy; _printed: Entropy at 298.15 K_ | 17.3857 J/mol-atom/K | 298.15 | Nb3B4; _alloy: Nb 0.428571_ | model | [3] Peçanha 2007 | Table 4, p. 6, row 8; `ORC-52SY72CS4F` |  |
| Entropy; _printed: Entropy at 298.15 K_ | 17.3 J/mol-atom/K | 298.15 | Nb3B4; _alloy: Nb 0.428571_ | experimental | [3] Peçanha 2007; _cites Blinder 1991_ [doi](https://doi.org/10.1007/bf00794439) | Table 4, p. 6, row 9; `ORC-IHDYFUIRSU` |  |
| Entropy; _printed: Entropy at 298.15 K_ | 17.8636 J/mol-atom/K | 298.15 | Nb5B6; _alloy: Nb 0.454545_ | model | [3] Peçanha 2007 | Table 4, p. 6, row 7; `ORC-O6MTEXJQYS` |  |
| Entropy; _printed: Entropy at 298.15 K_ | 19.05 J/mol-atom/K | 298.15 | NbB; _alloy: Nb 0.5_ | model | [3] Peçanha 2007 | Table 4, p. 6, row 5; `ORC-BP3JNGLXPB` |  |
| Entropy; _printed: Entropy at 298.15 K_ | 19 J/mol-atom/K | 298.15 | NbB; _alloy: Nb 0.5_ | experimental | [3] Peçanha 2007; _cites Blinder 1991_ [doi](https://doi.org/10.1007/bf00794439) | Table 4, p. 6, row 6; `ORC-TJSE6F4VMD` |  |
| Entropy; _printed: Entropy at 298.15 K_ | 12.7 J/mol-atom/K | 298.15 | NbB2; _alloy: Nb 0.333333_ | experimental | [3] Peçanha 2007; _cites Westrum 1963_ [doi](https://doi.org/10.1021/j100805a030) | Table 4, p. 6, row 2; `ORC-BAVSMZ74DE` |  |
| Entropy; _printed: Entropy at 298.15 K_ | 12.9 J/mol-atom/K | 298.15 | NbB2; _alloy: Nb 0.333333_ | model | [3] Peçanha 2007 | Table 4, p. 6, row 1; `ORC-X45MUSKLH6` |  |

### Crystal structure (19)

Table: Crystal structure, B–Nb system

| Property | Value | T (K) | Phases / composition | Class | Source | Location | Quote |
|---|---:|---:|---|---|---|---|---|
| site fractional coordinates |  | 298.15 | BCC | unspecified | [3] Peçanha 2007; _cites Villars 1991_ | Table 1, p. 3, row 1; `ORC-UQOZGRLVTN.8dd0b5` |  |
| site fractional coordinates |  | 298.15 | BCC | unspecified | [3] Peçanha 2007; _cites Villars 1991_ | Table 1, p. 3, row 1; `ORC-UQOZGRLVTN.c4c2ed` |  |
| site fractional coordinates |  | 298.15 | Nb3B2; _alloy: Nb 0.6_ | unspecified | [3] Peçanha 2007; _cites Villars 1991_ | Table 1, p. 3, row 2; `ORC-RSJYGYAM4P.0a7411` |  |
| site fractional coordinates |  | 298.15 | Nb3B2; _alloy: Nb 0.6_ | unspecified | [3] Peçanha 2007; _cites Villars 1991_ | Table 1, p. 3, row 2; `ORC-RSJYGYAM4P.0f00c9` |  |
| site fractional coordinates |  | 298.15 | Nb3B2; _alloy: Nb 0.6_ | unspecified | [3] Peçanha 2007; _cites Villars 1991_ | Table 1, p. 3, row 2; `ORC-RSJYGYAM4P.4794b3` |  |
| site fractional coordinates |  | 298.15 | Nb3B4; _alloy: Nb 0.428571_ | unspecified | [3] Peçanha 2007; _cites Villars 1991_ | Table 1, p. 3, row 5; `ORC-TCCK5LYEFO.20452b` |  |
| site fractional coordinates |  | 298.15 | Nb3B4; _alloy: Nb 0.428571_ | unspecified | [3] Peçanha 2007; _cites Villars 1991_ | Table 1, p. 3, row 5; `ORC-TCCK5LYEFO.5a6677` |  |
| site fractional coordinates |  | 298.15 | Nb3B4; _alloy: Nb 0.428571_ | unspecified | [3] Peçanha 2007; _cites Villars 1991_ | Table 1, p. 3, row 5; `ORC-TCCK5LYEFO.b26b2f` |  |
| site fractional coordinates |  | 298.15 | Nb3B4; _alloy: Nb 0.428571_ | unspecified | [3] Peçanha 2007; _cites Villars 1991_ | Table 1, p. 3, row 5; `ORC-TCCK5LYEFO.dc0fac` |  |
| site fractional coordinates |  | 298.15 | Nb5B6; _alloy: Nb 0.454545_ | unspecified | [3] Peçanha 2007; _cites Bolmgren 1990_ [doi](https://doi.org/10.1016/0022-5088%2890%2990170-o) | Table 1, p. 3, row 4; `ORC-MMNXMZOVD7.36cc18` |  |
| site fractional coordinates |  | 298.15 | Nb5B6; _alloy: Nb 0.454545_ | unspecified | [3] Peçanha 2007; _cites Bolmgren 1990_ [doi](https://doi.org/10.1016/0022-5088%2890%2990170-o) | Table 1, p. 3, row 4; `ORC-MMNXMZOVD7.51c181` |  |
| site fractional coordinates |  | 298.15 | Nb5B6; _alloy: Nb 0.454545_ | unspecified | [3] Peçanha 2007; _cites Bolmgren 1990_ [doi](https://doi.org/10.1016/0022-5088%2890%2990170-o) | Table 1, p. 3, row 4; `ORC-MMNXMZOVD7.844a1d` |  |
| site fractional coordinates |  | 298.15 | Nb5B6; _alloy: Nb 0.454545_ | unspecified | [3] Peçanha 2007; _cites Bolmgren 1990_ [doi](https://doi.org/10.1016/0022-5088%2890%2990170-o) | Table 1, p. 3, row 4; `ORC-MMNXMZOVD7.cfb636` |  |
| site fractional coordinates |  | 298.15 | Nb5B6; _alloy: Nb 0.454545_ | unspecified | [3] Peçanha 2007; _cites Bolmgren 1990_ [doi](https://doi.org/10.1016/0022-5088%2890%2990170-o) | Table 1, p. 3, row 4; `ORC-MMNXMZOVD7.d7639c` |  |
| site fractional coordinates |  | 298.15 | Nb5B6; _alloy: Nb 0.454545_ | unspecified | [3] Peçanha 2007; _cites Bolmgren 1990_ [doi](https://doi.org/10.1016/0022-5088%2890%2990170-o) | Table 1, p. 3, row 4; `ORC-MMNXMZOVD7.e20c81` |  |
| site fractional coordinates |  | 298.15 | NbB; _alloy: Nb 0.5_ | unspecified | [3] Peçanha 2007; _cites Villars 1991_ | Table 1, p. 3, row 3; `ORC-RU2RV5UUND.1d2cc9` |  |
| site fractional coordinates |  | 298.15 | NbB; _alloy: Nb 0.5_ | unspecified | [3] Peçanha 2007; _cites Villars 1991_ | Table 1, p. 3, row 3; `ORC-RU2RV5UUND.f6ca90` |  |
| site fractional coordinates |  | 298.15 | NbB2; _alloy: Nb 0.333333_ | unspecified | [3] Peçanha 2007; _cites Villars 1991_ | Table 1, p. 3, row 6; `ORC-BNP6HLBSMB.7af380` |  |
| site fractional coordinates |  | 298.15 | NbB2; _alloy: Nb 0.333333_ | unspecified | [3] Peçanha 2007; _cites Villars 1991_ | Table 1, p. 3, row 6; `ORC-BNP6HLBSMB.e5eae4` |  |

## Sources

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

1. V.T. Witusiewicz, A.A. Bondar, U. Hecht, S. Rex, T.Ya. Velikanova, The Al–B–Nb–Ti system, Journal of Alloys and Compounds 448, 185-194 (2008). [doi:10.1016/j.jallcom.2006.10.034](https://doi.org/10.1016/j.jallcom.2006.10.034)
2. Yu Nakama, Hiroshi Ohtani, Mitsuhiro Hasebe, Thermodynamic Analysis of the Nb&amp;ndash;Ti&amp;ndash;B Ternary Phase Diagram, Mater. Trans. 50, 984-993 (2009). [doi:10.2320/matertrans.mc200820](https://doi.org/10.2320/matertrans.mc200820)
3. Rockfeller Maciel Peçanha, Flávio Ferreira, Gilberto Carvalho Coelho, Carlos Angelo Nunes, Bo Sundman, Thermodynamic modeling of the Nb–B system, Intermetallics 15, 999-1005 (2007). [doi:10.1016/j.intermet.2006.10.054](https://doi.org/10.1016/j.intermet.2006.10.054)

## 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). https://doi.org/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). https://doi.org/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). https://doi.org/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.

```bibtex
@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}
}
```

---

Derived data CC BY 4.0 ([licence](https://creativecommons.org/licenses/by/4.0/)): cite ORCHID ([CITATION.cff](https://data.orchid-project.org/CITATION.cff)) and the original sources. Quotes are short excerpts kept so that each value can be checked; they remain under the publishers' copyright and are not relicensed. Source papers, page images and full text are not redistributed. Field reference: [SCHEMA.md](https://data.orchid-project.org/literature/SCHEMA.md). Machine-readable guide: [llms.txt](https://data.orchid-project.org/llms.txt). Found an error? The report link of a value (Markdown: its id, ORC-..., in the Location column) opens a pre-filled GitHub issue, https://github.com/orchid-calphad/orchid-data/issues/new?template=report-value-error.yml&record_id=\<id>, carrying only the record id, source and value; [how to contribute](https://orchid-project.org/contribute/).