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  1. Third-Parties
  2. MatprojStructure
  3. mp-1216288

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-1216288
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 51
  • Number of elements: 3
  • Element list: ['W', 'N', 'O']
  • Chemical System: N-O-W
  • Density: 6.201420930979605
  • Atomic Density: 0.0674427895093937
  • Unit Cell Volume: 756.1964795791331
  • Molar Volume: 8.929258122043148
  • Full Formula: W12 N3 O36
  • Reduced Formula: W4NO12
  • Formula Anonymous: AB4C12
  • Spacegroup Number: 162
  • Spacegroup Symbol: P-31m
  • Crystal System: trigonal
  • Pointgroup: -31m

Thermodynamics:

  • Final energy: -447.4540643
  • Final energy per atom: -8.773609103921569
  • 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.