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  1. Third-Parties
  2. MatprojStructure
  3. mp-1197057

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-1197057
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 34
  • Number of elements: 3
  • Element list: ['Re', 'Cl', 'O']
  • Chemical System: Cl-O-Re
  • Density: 2.3231068940398876
  • Atomic Density: 0.024833720992756332
  • Unit Cell Volume: 1369.106144420216
  • Molar Volume: 24.24985269729244
  • Full Formula: Re6 Cl18 O10
  • Reduced Formula: Re3Cl9O5
  • Formula Anonymous: A3B5C9
  • Spacegroup Number: 40
  • Spacegroup Symbol: Ama2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -180.67844612
  • Final energy per atom: -5.314071944705882
  • 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.