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  1. Third-Parties
  2. MatprojStructure
  3. mp-972224

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-972224
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Ta', 'Ge', 'Rh']
  • Chemical System: Ge-Rh-Ta
  • Density: 12.601011295642762
  • Atomic Density: 0.06385958451761567
  • Unit Cell Volume: 187.91227801818533
  • Molar Volume: 9.430284906314716
  • Full Formula: Ta4 Ge4 Rh4
  • Reduced Formula: TaGeRh
  • Formula Anonymous: ABC
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -101.85935064
  • Final energy per atom: -8.48827922
  • 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.