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  1. Third-Parties
  2. MatprojStructure
  3. mp-1180044

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-1180044
  • 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: 172
  • Number of elements: 6
  • Element list: ['P', 'H', 'W', 'C', 'N', 'O']
  • Chemical System: C-H-N-O-P-W
  • Density: 4.508619562071588
  • Atomic Density: 0.07743935934278609
  • Unit Cell Volume: 2221.09275515362
  • Molar Volume: 7.776589077064718
  • Full Formula: P2 H48 W24 C12 N6 O80
  • Reduced Formula: PH24W12C6N3O40
  • Formula Anonymous: AB3C6D12E24F40
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -1294.24681122
  • Final energy per atom: -7.524690762906976
  • 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.