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  1. Third-Parties
  2. MatprojStructure
  3. mp-686540

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-686540
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 5
  • Element list: ['Na', 'Al', 'P', 'O', 'F']
  • Chemical System: Al-F-Na-O-P
  • Density: 2.9683074568558716
  • Atomic Density: 0.08699269980053563
  • Unit Cell Volume: 413.8278278814648
  • Molar Volume: 6.922581749742316
  • Full Formula: Na6 Al4 P4 O16 F6
  • Reduced Formula: Na3Al2P2O8F3
  • Formula Anonymous: A2B2C3D3E8
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -246.01054535
  • Final energy per atom: -6.833626259722222
  • 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.