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  1. Third-Parties
  2. MatprojStructure
  3. mp-767419

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-767419
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 5
  • Element list: ['Na', 'P', 'H', 'O', 'F']
  • Chemical System: F-H-Na-O-P
  • Density: 2.3588307178644397
  • Atomic Density: 0.08402320985175575
  • Unit Cell Volume: 523.6648311535622
  • Molar Volume: 7.167234827882693
  • Full Formula: Na4 P4 H8 O4 F24
  • Reduced Formula: NaPH2OF6
  • Formula Anonymous: ABCD2E6
  • Spacegroup Number: 52
  • Spacegroup Symbol: Pnna
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -231.9032349
  • Final energy per atom: -5.270528065909091
  • 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.