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  1. Third-Parties
  2. MatprojStructure
  3. mp-705676

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-705676
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 13
  • Number of elements: 3
  • Element list: ['K', 'Mo', 'O']
  • Chemical System: K-Mo-O
  • Density: 2.440282735076903
  • Atomic Density: 0.05023144200875416
  • Unit Cell Volume: 258.8020466888927
  • Molar Volume: 11.988787339512337
  • Full Formula: K4 Mo1 O8
  • Reduced Formula: K4MoO8
  • Formula Anonymous: AB4C8
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -70.00991673
  • Final energy per atom: -5.38537821
  • 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.