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  1. Third-Parties
  2. MatprojStructure
  3. mp-651106

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-651106
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 136
  • Number of elements: 7
  • Element list: ['Fe', 'Sb', 'W', 'C', 'Se', 'O', 'F']
  • Chemical System: C-F-Fe-O-Sb-Se-W
  • Density: 3.083908668975032
  • Atomic Density: 0.05776130710773752
  • Unit Cell Volume: 2354.5173544346935
  • Molar Volume: 10.42590803696216
  • Full Formula: Fe4 Sb8 W4 C32 Se8 O32 F48
  • Reduced Formula: FeSb2WC8Se2(O2F3)4
  • Formula Anonymous: ABC2D2E8F8G12
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -901.17044493
  • Final energy per atom: -6.626253271544118
  • 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.