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  1. Third-Parties
  2. MatprojStructure
  3. mp-557923

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-557923
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 4
  • Element list: ['Na', 'Mo', 'Se', 'O']
  • Chemical System: Mo-Na-O-Se
  • Density: 3.4477467683836833
  • Atomic Density: 0.06552348671713815
  • Unit Cell Volume: 610.4681237840432
  • Molar Volume: 9.19081242730153
  • Full Formula: Na8 Mo4 Se4 O24
  • Reduced Formula: Na2MoSeO6
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 198
  • Spacegroup Symbol: P2_13
  • Crystal System: cubic
  • Pointgroup: 23

Thermodynamics:

  • Final energy: -262.6799934
  • Final energy per atom: -6.566999835
  • 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.