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  1. Third-Parties
  2. MatprojStructure
  3. mp-1204665

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-1204665
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 4
  • Element list: ['Re', 'C', 'Cl', 'O']
  • Chemical System: C-Cl-O-Re
  • Density: 3.617439890785049
  • Atomic Density: 0.049932138524455
  • Unit Cell Volume: 1121.5221629767204
  • Molar Volume: 12.060650590902627
  • Full Formula: Re8 C12 Cl12 O24
  • Reduced Formula: Re2C3(ClO2)3
  • Formula Anonymous: A2B3C3D6
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -404.53168577
  • Final energy per atom: -7.223780103035715
  • 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.