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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196729

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-1196729
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 190
  • Number of elements: 6
  • Element list: ['P', 'H', 'W', 'C', 'N', 'O']
  • Chemical System: C-H-N-O-P-W
  • Density: 4.112817712103581
  • Atomic Density: 0.07695979976859314
  • Unit Cell Volume: 2468.8213920943426
  • Molar Volume: 7.82504733394278
  • Full Formula: P2 H60 W24 C18 N6 O80
  • Reduced Formula: PH30W12C9N3O40
  • Formula Anonymous: AB3C9D12E30F40
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -1391.28295843
  • Final energy per atom: -7.322541886473684
  • 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.