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  1. Third-Parties
  2. MatprojStructure
  3. mp-1197711

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-1197711
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 73
  • Number of elements: 5
  • Element list: ['Si', 'W', 'C', 'N', 'O']
  • Chemical System: C-N-O-Si-W
  • Density: 4.036172262814552
  • Atomic Density: 0.0568281257687513
  • Unit Cell Volume: 1284.575181962825
  • Molar Volume: 10.597113099428418
  • Full Formula: Si1 W12 C16 N4 O40
  • Reduced Formula: SiW12C16(NO10)4
  • Formula Anonymous: AB4C12D16E40
  • Spacegroup Number: 82
  • Spacegroup Symbol: I-4
  • Crystal System: tetragonal
  • Pointgroup: -4

Thermodynamics:

  • Final energy: -626.1888700599999
  • Final energy per atom: -8.577929726849314
  • 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.