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  1. Third-Parties
  2. MatprojStructure
  3. mp-1210063

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-1210063
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 3
  • Element list: ['Na', 'Re', 'O']
  • Chemical System: Na-O-Re
  • Density: 8.025923748143796
  • Atomic Density: 0.08015610353263562
  • Unit Cell Volume: 199.61050119515338
  • Molar Volume: 7.513015846071012
  • Full Formula: Na4 Re4 O8
  • Reduced Formula: NaReO2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 141
  • Spacegroup Symbol: I4_1/amd
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -115.46959086
  • Final energy per atom: -7.21684942875
  • 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.