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  1. Third-Parties
  2. MatprojStructure
  3. mp-1182587

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-1182587
  • 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: 22
  • Number of elements: 4
  • Element list: ['As', 'C', 'O', 'F']
  • Chemical System: As-C-F-O
  • Density: 2.2739536143372074
  • Atomic Density: 0.06251870013850107
  • Unit Cell Volume: 351.89471232226845
  • Molar Volume: 9.632543137747305
  • Full Formula: As2 C6 O2 F12
  • Reduced Formula: AsC3OF6
  • Formula Anonymous: ABC3D6
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -115.22308313000002
  • Final energy per atom: -5.237412869545455
  • 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.