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  1. Third-Parties
  2. MatprojStructure
  3. mp-757494

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-757494
  • Created at: Sept. 4, 2022, 2:40 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: ['K', 'W', 'O']
  • Chemical System: K-O-W
  • Density: 6.366726846735154
  • Atomic Density: 0.06744288764334996
  • Unit Cell Volume: 756.1953792621856
  • Molar Volume: 8.929245129369544
  • Full Formula: K3 W12 O36
  • Reduced Formula: K(WO3)4
  • Formula Anonymous: AB4C12
  • Spacegroup Number: 156
  • Spacegroup Symbol: P3m1
  • Crystal System: trigonal
  • Pointgroup: 3m1

Thermodynamics:

  • Final energy: -450.9885615
  • Final energy per atom: -8.842912970588236
  • 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.