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  1. Third-Parties
  2. MatprojStructure
  3. mp-1214743

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-1214743
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 26
  • Number of elements: 5
  • Element list: ['Ca', 'P', 'H', 'W', 'O']
  • Chemical System: Ca-H-O-P-W
  • Density: 4.770468964028572
  • Atomic Density: 0.07355108666166665
  • Unit Cell Volume: 353.4957970043246
  • Molar Volume: 8.187697875493958
  • Full Formula: Ca2 P2 H10 W4 O8
  • Reduced Formula: CaPH5(WO2)2
  • Formula Anonymous: ABC2D4E5
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -162.65936979
  • Final energy per atom: -6.256129607307693
  • 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.