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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195646

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-1195646
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 5
  • Element list: ['Na', 'V', 'H', 'O', 'F']
  • Chemical System: F-H-Na-O-V
  • Density: 2.4589071512519602
  • Atomic Density: 0.08050407872172098
  • Unit Cell Volume: 496.86923489017596
  • Molar Volume: 7.480541179555357
  • Full Formula: Na4 V4 H8 O8 F16
  • Reduced Formula: NaVH2(OF2)2
  • Formula Anonymous: ABC2D2E4
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -234.81832675
  • Final energy per atom: -5.87045816875
  • 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.