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  1. Third-Parties
  2. MatprojStructure
  3. mp-732275

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-732275
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 92
  • Number of elements: 5
  • Element list: ['Mo', 'H', 'Br', 'Cl', 'O']
  • Chemical System: Br-Cl-H-Mo-O
  • Density: 2.7180160367817057
  • Atomic Density: 0.05070901215600191
  • Unit Cell Volume: 1814.2731654280688
  • Molar Volume: 11.875878673150648
  • Full Formula: Mo12 H36 Br12 Cl16 O16
  • Reduced Formula: Mo3H9Br3(ClO)4
  • Formula Anonymous: A3B3C4D4E9
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -465.1259469
  • Final energy per atom: -5.0557168141304345
  • 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.