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  1. Third-Parties
  2. MatprojStructure
  3. mp-976923

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-976923
  • 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: 5
  • Number of elements: 3
  • Element list: ['Na', 'Re', 'O']
  • Chemical System: Na-O-Re
  • Density: 7.2687905480204495
  • Atomic Density: 0.08509824273158492
  • Unit Cell Volume: 58.755619851879835
  • Molar Volume: 7.076692263781415
  • Full Formula: Na1 Re1 O3
  • Reduced Formula: NaReO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -38.99648459
  • Final energy per atom: -7.7992969180000005
  • 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.