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  1. Third-Parties
  2. MatprojStructure
  3. mp-560268

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-560268
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 58
  • Number of elements: 4
  • Element list: ['K', 'Mo', 'As', 'O']
  • Chemical System: As-K-Mo-O
  • Density: 3.536749559522046
  • Atomic Density: 0.06266317810981685
  • Unit Cell Volume: 925.5834406987041
  • Molar Volume: 9.610334077608117
  • Full Formula: K4 Mo6 As8 O40
  • Reduced Formula: K2Mo3(AsO5)4
  • Formula Anonymous: A2B3C4D20
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -412.48780571
  • Final energy per atom: -7.11185871913793
  • 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.