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  1. Third-Parties
  2. MatprojStructure
  3. mp-1221248

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-1221248
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 30
  • Number of elements: 5
  • Element list: ['Na', 'B', 'P', 'O', 'F']
  • Chemical System: B-F-Na-O-P
  • Density: 2.373174901115372
  • Atomic Density: 0.07723635761094169
  • Unit Cell Volume: 388.41810939761416
  • Molar Volume: 7.79702842841837
  • Full Formula: Na6 B4 P2 O10 F8
  • Reduced Formula: Na3B2PO5F4
  • Formula Anonymous: AB2C3D4E5
  • Spacegroup Number: 40
  • Spacegroup Symbol: Ama2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -197.91030572
  • Final energy per atom: -6.5970101906666665
  • 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.