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  1. Third-Parties
  2. MatprojStructure
  3. mp-1238774

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-1238774
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 64
  • Number of elements: 5
  • Element list: ['Na', 'V', 'P', 'O', 'F']
  • Chemical System: F-Na-O-P-V
  • Density: 2.8137557043968076
  • Atomic Density: 0.07214364931573546
  • Unit Cell Volume: 887.1189717601487
  • Molar Volume: 8.3474301856345
  • Full Formula: Na8 V8 P8 O32 F8
  • Reduced Formula: NaVPO4F
  • Formula Anonymous: ABCDE4
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -479.0519369
  • Final energy per atom: -7.4851865140625
  • 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.