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  1. Third-Parties
  2. MatprojStructure
  3. mp-704755

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-704755
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 144
  • Number of elements: 6
  • Element list: ['Fe', 'P', 'W', 'C', 'Br', 'O']
  • Chemical System: Br-C-Fe-O-P-W
  • Density: 2.369971987508381
  • Atomic Density: 0.05822761730889361
  • Unit Cell Volume: 2473.053280474962
  • Molar Volume: 10.342413168055542
  • Full Formula: Fe12 P4 W4 C60 Br4 O60
  • Reduced Formula: Fe3PWC15BrO15
  • Formula Anonymous: ABCD3E15F15
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -1121.31237194
  • Final energy per atom: -7.786891471805556
  • 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.