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  1. Third-Parties
  2. MatprojStructure
  3. mp-1210779

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-1210779
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 30
  • Number of elements: 4
  • Element list: ['Mo', 'C', 'O', 'F']
  • Chemical System: C-F-Mo-O
  • Density: 2.2319312563482696
  • Atomic Density: 0.0626190483523383
  • Unit Cell Volume: 479.08744686120343
  • Molar Volume: 9.617106804490623
  • Full Formula: Mo2 C8 O8 F12
  • Reduced Formula: MoC4(O2F3)2
  • Formula Anonymous: AB4C4D6
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -208.39824783
  • Final energy per atom: -6.946608261
  • 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.