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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195968

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-1195968
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 68
  • Number of elements: 6
  • Element list: ['Cs', 'Al', 'V', 'P', 'H', 'O']
  • Chemical System: Al-Cs-H-O-P-V
  • Density: 3.116575500615123
  • Atomic Density: 0.07338410977959663
  • Unit Cell Volume: 926.631122244756
  • Molar Volume: 8.206328015815718
  • Full Formula: Cs4 Al4 V4 P8 H8 O40
  • Reduced Formula: CsAlVP2(HO5)2
  • Formula Anonymous: ABCD2E2F10
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -497.46297024
  • Final energy per atom: -7.315631915294118
  • 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.