Commentary: The Materials Project: A materials genome approach to accelerating materials innovation

Anubhav Jain, Shyue Ping Ong, Geoffroy Hautier, Wei Chen, William Davidson Richards, Stephen Dacek, Shreyas Cholia, Dan Gunter, David Skinner, Gerbrand Ceder, Kristin A. Persson

APL Materials 1 (1) 011002 (2013) · AIP Publishing

DOI: 10.1063/1.4812323

Data: JSON record · id doi:10.1063/1.4812323 · metadata: crossref

Roles in ORCHID

• cited as the original source of values

Systems

Bi–Er, Bi–Se, Dy–Ru, Er–Te, Fe–Y, Gd–Ru, Ge–P, Li–Te, Nd–Ru, Sr–Te, Co–Cr–Ni–Re

Evidence in ORCHID

50 values in 7 other papers cite this work as their source.

ESPEI datasets derived: 1251 (dft/mp/AG-BA/AgBa-95Che-LB.AG5BA.json …).

Phase-registry phases citing it: phase:bi-se:bi3se4, phase:bi-se:bi4se3, phase:bi-se:bi8se7, phase:bi-se:bi8se9, phase:bi-se:bise, phase:er-te:er2te3, phase:er-te:erte3, phase:fe-y:fe23y6-d8a, phase:ge-p:gep

Availability

Read by ORCHID: no. Open-access licence (Crossref license field): none deposited. Crossref is-referenced-by count: 12900 (retrieved 2026-10-23).

Relations

Cited by (Crossref reference lists) (72)

• Thermodynamic description of the Ce–Ga and Ga–Gd systems (2019) [crossref_reference_list]
• Key Experiments and Thermodynamic Description of the Co-Nb-Ni System (2020) [crossref_reference_list]
• Experimental Investigation and Thermodynamic Description of the Co–Mo–Nb System (2023) [crossref_reference_list]
• Calculation of Phase Diagrams and First-Principles Study of Germanium Impacts on Phosphorus Distribution in Czochralski Silicon (2021) [crossref_reference_list]
• Thermodynamic Modeling of the Ge-X (X = As, Se, S, P) Systems (2022) [crossref_reference_list]
• Investigation of the Thermodynamic Properties, Phase Relations, and Stability of the Cd–Gd System via Thermodynamic Remodeling (2019) [crossref_reference_list]
• DFT Calculations and Thermodynamic Re-Assessment of the Fe-Y Binary System (2021) [crossref_reference_list]
• Experimental Study and Thermodynamic Modeling of B-Fe-W System (2021) [crossref_reference_list]
• Thermodynamic Study of Er-Bi and Er-Te Systems by Combination of First-Principles Calculations and the CALPHAD Method (2022) [crossref_reference_list]
• Thermodynamic Modelling of the Te-X (X = Cu, Ga, Li, Sr) Systems (2022) [crossref_reference_list]
• Thermodynamic Modeling of the Co-Cu-Sn Ternary System (2022) [crossref_reference_list]
• Excess Thermodynamic Properties of Solutions in Ln-Ru (Ln = Nd, Gd, Dy) Binary Systems Based on Quadratic, Exponential and Combined Models Supported by Ab-Initio Calculations (2023) [crossref_reference_list]
• Thermodynamic Modeling of the Te-X (X = Gd, Dy, Ho) Binary Systems Combined with the First-Principles Method (2023) [crossref_reference_list]
• Applying the Effective Bond Energy Formalism (EBEF) to Describe the Sigma (σ) Phase in the Co-Cr-Ni-Re System (2023) [crossref_reference_list]
• Thermodynamic Modeling of the Bi-Se and Bi-Te Binary Systems (2024) [crossref_reference_list]
• Thermodynamic Assessment of the Co-Ti System (2024) [crossref_reference_list]
• Experimental investigation and thermodynamic assessment of La–Y–Ni ternary system in Ni‐rich corner (2022) [crossref_reference_list]
• Experimental study and thermodynamic modeling of the phase equilibria in the Mg-rich corner of Mg-Zn-Mn system (2025) [crossref_reference_list]
• Phase equilibria in Ti-rich portion and thermodynamic re-optimization of Co–Ti system (2022) [crossref_reference_list]
• Thermodynamic properties of the Nd-Bi system via emf measurements, DFT calculations, machine learning, and CALPHAD modeling (2022) [crossref_reference_list]
• Thermodynamic modeling of Fe-Nb and Fe-Nb-Ni systems supported by first-principles calculations and diffusion-multiple measurements (2024) [crossref_reference_list]
• Thermodynamic description of the Ti-Mo-Nb-Ta-Zr system and its implications for phase stability of Ti bio-implant materials (2018) [crossref_reference_list]
• Thermodynamic optimization of the Ni–Al–Nd ternary system (2019) [crossref_reference_list]
• Thermodynamic assessment of the Co-Ta system (2019) [crossref_reference_list]
• Phase equilibria of the Zn-Ti system: Experiments, first-principles calculations and Calphad assessment (2019) [crossref_reference_list]
• Thermodynamic modelling of the Ni-V system (2019) [crossref_reference_list]
• Experimental investigation and thermodynamic modeling of the Fe−Si−Zr system (2019) [crossref_reference_list]
• Heat capacity measurement of Zr2Fe and thermodynamic re-assessment of the Fe–Zr system (2019) [crossref_reference_list]
• Thermodynamic description of the Co–Ni–Ta system (2019) [crossref_reference_list]
• Thermodynamic assessment of the RE–Zn (RE = Dy, Er, Ho, Tb) binaries as a starting step for a Mg–Zn–Zr–Rare earth multicomponent database (2019) [crossref_reference_list]
• Phase equilibria and thermodynamic investigation of the In–Li system (2020) [crossref_reference_list]
• Critical evaluation and thermodynamic modeling of the Fe–P and Fe–C–P system (2020) [crossref_reference_list]
• Thermodynamic modeling of the Te-X (X = Zr, Ce, Eu) systems (2021) [crossref_reference_list]
• Experimental investigation and thermodynamic modeling of the Mg–Cu–Ca ternary system (2021) [crossref_reference_list]
• Sm–Ti binary thermodynamic database and phase diagram (2021) [crossref_reference_list]
• Thermodynamic calculation of S−Sb system and Cu−S−Sb system (2021) [crossref_reference_list]
• Thermodynamic modeling of the Ta-O system (2022) [crossref_reference_list]
• Thermodynamic re-modeling of the Yb-Sb system aided by first-principles calculations (2023) [crossref_reference_list]
• Thermodynamic modeling of the Nb-Ni system with uncertainty quantification using PyCalphad and ESPEI (2023) [crossref_reference_list]
• Al–Ni–Ti thermodynamic database from first-principles calculations (2024) [crossref_reference_list]
• Thermodynamic assessment of the Ta–Ge system supported by ab initio calculations (2024) [crossref_reference_list]
• Thermodynamic and kinetic studies of the performance effect of Al doping in the Ge-Sb-Te phase change materials (2025) [crossref_reference_list]
• Thermodynamic modelling and metallic glass region prediction for the Al-Ni-Gd ternary system (2025) [crossref_reference_list]
• Experimental investigation and thermodynamic modelling of the Ag-Zr system (2026) [crossref_reference_list]
• Thermodynamic assessment of the Ba–La–S and Ga–La–S systems (2026) [crossref_reference_list]
• A RESTful API for exchanging materials data in the AFLOWLIB.org consortium (2014) [crossref_reference_list]
• Thermodynamic modelling of the Ni–Zr system (2020) [crossref_reference_list]
• Critical evaluation and thermodynamic modeling of the Ag-X (X=Mn, Y, Sr) binary systems (2021) [crossref_reference_list]
• Thermodynamic properties and phase stability of the Ba-Bi system: A combined computational and experimental study (2019) [crossref_reference_list]
• Measurements of high phase transition temperatures and construction of Ni-Si-Zr phase diagram (2022) [crossref_reference_list]
• … 22 more in the JSON record

References (Crossref, publisher-deposited) (2)

• AFLOWLIB.ORG: A distributed materials properties repository from high-throughput ab initio calculations (2012) [crossref_reference_list]
• Efficient iterative schemes for <i>ab initio</i> total-energy calculations using a plane-wave basis set (1996) [crossref_reference_list]

Cited for values by (7)

• Applying the Effective Bond Energy Formalism (EBEF) to Describe the Sigma (σ) Phase in the Co-Cr-Ni-Re System (2023) — 24 values [orchid_extraction]
• Thermodynamic Study of Er-Bi and Er-Te Systems by Combination of First-Principles Calculations and the CALPHAD Method (2022) — 6 values [orchid_extraction]
• Thermodynamic Modeling of the Bi-Se and Bi-Te Binary Systems (2024) — 6 values [orchid_extraction]
• Calculation of Phase Diagrams and First-Principles Study of Germanium Impacts on Phosphorus Distribution in Czochralski Silicon (2021) — 5 values [orchid_extraction]
• DFT Calculations and Thermodynamic Re-Assessment of the Fe-Y Binary System (2021) — 4 values [orchid_extraction]
• Excess Thermodynamic Properties of Solutions in Ln-Ru (Ln = Nd, Gd, Dy) Binary Systems Based on Quadratic, Exponential and Combined Models Supported by Ab-Initio Calculations (2023) — 3 values [orchid_extraction]
• Thermodynamic Modelling of the Te-X (X = Cu, Ga, Li, Sr) Systems (2022) — 2 values [orchid_extraction]

Used in (assessments / papers that took values from it) (7)

• Applying the Effective Bond Energy Formalism (EBEF) to Describe the Sigma (σ) Phase in the Co-Cr-Ni-Re System (2023) — 24 values [orchid_extraction]
• Thermodynamic Study of Er-Bi and Er-Te Systems by Combination of First-Principles Calculations and the CALPHAD Method (2022) — 6 values [orchid_extraction]
• Thermodynamic Modeling of the Bi-Se and Bi-Te Binary Systems (2024) — 6 values [orchid_extraction]
• Calculation of Phase Diagrams and First-Principles Study of Germanium Impacts on Phosphorus Distribution in Czochralski Silicon (2021) — 5 values [orchid_extraction]
• DFT Calculations and Thermodynamic Re-Assessment of the Fe-Y Binary System (2021) — 4 values [orchid_extraction]
• Excess Thermodynamic Properties of Solutions in Ln-Ru (Ln = Nd, Gd, Dy) Binary Systems Based on Quadratic, Exponential and Combined Models Supported by Ab-Initio Calculations (2023) — 3 values [orchid_extraction]
• Thermodynamic Modelling of the Te-X (X = Cu, Ga, Li, Sr) Systems (2022) — 2 values [orchid_extraction]