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  1. Third-Parties
  2. MatprojStructure
  3. mp-1214761

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-1214761
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 17
  • Number of elements: 3
  • Element list: ['Ba', 'As', 'Ru']
  • Chemical System: As-Ba-Ru
  • Density: 7.398001250469284
  • Atomic Density: 0.05257155912330209
  • Unit Cell Volume: 323.36876218808646
  • Molar Volume: 11.45513060755072
  • Full Formula: Ba1 As12 Ru4
  • Reduced Formula: Ba(As3Ru)4
  • Formula Anonymous: AB4C12
  • Spacegroup Number: 204
  • Spacegroup Symbol: Im-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -102.11477493
  • Final energy per atom: -6.006751466470588
  • 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.