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  1. Third-Parties
  2. MatprojStructure
  3. mp-554432

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-554432
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 26
  • Number of elements: 4
  • Element list: ['Re', 'Sb', 'O', 'F']
  • Chemical System: F-O-Re-Sb
  • Density: 3.790679466063219
  • Atomic Density: 0.05774176862085444
  • Unit Cell Volume: 450.2806308328015
  • Molar Volume: 10.42943592452587
  • Full Formula: Re2 Sb2 O2 F20
  • Reduced Formula: ReSbOF10
  • Formula Anonymous: ABCD10
  • Spacegroup Number: 3
  • Spacegroup Symbol: P121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -147.26327635
  • Final energy per atom: -5.663972167307692
  • 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.