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  1. Third-Parties
  2. MatprojStructure
  3. mp-728290

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-728290
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 92
  • Number of elements: 5
  • Element list: ['V', 'H', 'N', 'O', 'F']
  • Chemical System: F-H-N-O-V
  • Density: 1.8899092188498803
  • Atomic Density: 0.11735892371581666
  • Unit Cell Volume: 783.9199362698399
  • Molar Volume: 5.131387174768703
  • Full Formula: V4 H48 N12 O20 F8
  • Reduced Formula: VH12N3O5F2
  • Formula Anonymous: AB2C3D5E12
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -502.9003609
  • Final energy per atom: -5.466308270652174
  • 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.