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  1. Third-Parties
  2. MatprojStructure
  3. mp-1211915

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-1211915
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 80
  • Number of elements: 4
  • Element list: ['K', 'Cr', 'As', 'O']
  • Chemical System: As-Cr-K-O
  • Density: 4.030341445621217
  • Atomic Density: 0.07608019784438454
  • Unit Cell Volume: 1051.5219763706855
  • Molar Volume: 7.915516692422077
  • Full Formula: K12 Cr8 As12 O48
  • Reduced Formula: K3Cr2(AsO4)3
  • Formula Anonymous: A2B3C3D12
  • Spacegroup Number: 230
  • Spacegroup Symbol: Ia-3d
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -542.91101859
  • Final energy per atom: -6.786387732375
  • 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.