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  1. Third-Parties
  2. MatprojStructure
  3. mp-722602

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-722602
  • 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: 36
  • Number of elements: 5
  • Element list: ['Na', 'V', 'P', 'O', 'F']
  • Chemical System: F-Na-O-P-V
  • Density: 3.0617066322105826
  • Atomic Density: 0.08059513545038371
  • Unit Cell Volume: 446.677082913552
  • Molar Volume: 7.472089632143337
  • Full Formula: Na6 V4 P4 O20 F2
  • Reduced Formula: Na3V2P2O10F
  • Formula Anonymous: AB2C2D3E10
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -260.58892487
  • Final energy per atom: -7.23858124638889
  • 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.