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  1. Third-Parties
  2. MatprojStructure
  3. mp-728891

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-728891
  • 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: 52
  • Number of elements: 5
  • Element list: ['Mo', 'H', 'N', 'O', 'F']
  • Chemical System: F-H-Mo-N-O
  • Density: 2.6955101327011297
  • Atomic Density: 0.10447364801297669
  • Unit Cell Volume: 497.7331699333507
  • Molar Volume: 5.764267712037766
  • Full Formula: Mo4 H24 N4 O12 F8
  • Reduced Formula: MoH6NO3F2
  • Formula Anonymous: ABC2D3E6
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -308.03204566
  • Final energy per atom: -5.92369318576923
  • 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.