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  1. Third-Parties
  2. MatprojStructure
  3. mp-1229117

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-1229117
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 64
  • Number of elements: 5
  • Element list: ['Al', 'P', 'H', 'O', 'F']
  • Chemical System: Al-F-H-O-P
  • Density: 2.4021132093207296
  • Atomic Density: 0.09645740902510243
  • Unit Cell Volume: 663.5052780999374
  • Molar Volume: 6.243315905813701
  • Full Formula: Al4 P8 H16 O32 F4
  • Reduced Formula: AlP2H4O8F
  • Formula Anonymous: ABC2D4E8
  • Spacegroup Number: 7
  • Spacegroup Symbol: P1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -429.06227642
  • Final energy per atom: -6.7040980690625
  • 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.