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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223809

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-1223809
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 72
  • Number of elements: 5
  • Element list: ['K', 'Mo', 'P', 'W', 'O']
  • Chemical System: K-Mo-O-P-W
  • Density: 3.738659125535506
  • Atomic Density: 0.06711995326112823
  • Unit Cell Volume: 1072.7063488838571
  • Molar Volume: 8.972206426561469
  • Full Formula: K4 Mo4 P12 W4 O48
  • Reduced Formula: KMoP3WO12
  • Formula Anonymous: ABCD3E12
  • Spacegroup Number: 18
  • Spacegroup Symbol: P2_12_12
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -585.28709301
  • Final energy per atom: -8.128987402916668
  • 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.