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  1. Third-Parties
  2. MatprojStructure
  3. mp-1201718

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-1201718
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 76
  • Number of elements: 5
  • Element list: ['K', 'Mo', 'H', 'Se', 'O']
  • Chemical System: H-K-Mo-O-Se
  • Density: 3.255483892115868
  • Atomic Density: 0.06389103061245466
  • Unit Cell Volume: 1189.5253413737369
  • Molar Volume: 9.425643478078547
  • Full Formula: K8 Mo10 H8 Se4 O46
  • Reduced Formula: K4Mo5H4Se2O23
  • Formula Anonymous: A2B4C4D5E23
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -525.84547004
  • Final energy per atom: -6.919019342631579
  • 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.