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  1. Third-Parties
  2. MatprojStructure
  3. mp-961727

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-961727
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 3
  • Number of elements: 3
  • Element list: ['Ta', 'Ge', 'Rh']
  • Chemical System: Ge-Rh-Ta
  • Density: 10.447027575572031
  • Atomic Density: 0.05294359514230351
  • Unit Cell Volume: 56.664077910396955
  • Molar Volume: 11.374635107067236
  • Full Formula: Ta1 Ge1 Rh1
  • Reduced Formula: TaGeRh
  • Formula Anonymous: ABC
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -23.74848979
  • Final energy per atom: -7.916163263333334
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.