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  1. Third-Parties
  2. MatprojStructure
  3. mp-1212168

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-1212168
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 90
  • Number of elements: 4
  • Element list: ['K', 'Co', 'Mo', 'O']
  • Chemical System: Co-K-Mo-O
  • Density: 3.2050381183208505
  • Atomic Density: 0.05591018771608771
  • Unit Cell Volume: 1609.7245184906296
  • Molar Volume: 10.771097372415328
  • Full Formula: K20 Co2 Mo14 O54
  • Reduced Formula: K10CoMo7O27
  • Formula Anonymous: AB7C10D27
  • Spacegroup Number: 31
  • Spacegroup Symbol: Pmn2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -645.8617879
  • Final energy per atom: -7.176242087777777
  • 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.