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  1. Third-Parties
  2. MatprojStructure
  3. mp-560414

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-560414
  • 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: 120
  • Number of elements: 4
  • Element list: ['Te', 'Mo', 'O', 'F']
  • Chemical System: F-Mo-O-Te
  • Density: 3.147043009979809
  • Atomic Density: 0.05332039572051179
  • Unit Cell Volume: 2250.545937974674
  • Molar Volume: 11.294253687774763
  • Full Formula: Te16 Mo4 O20 F80
  • Reduced Formula: Te4Mo(OF4)5
  • Formula Anonymous: AB4C5D20
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -612.94483534
  • Final energy per atom: -5.107873627833333
  • 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.