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  1. Third-Parties
  2. MatprojStructure
  3. mp-559615

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-559615
  • 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: 54
  • Number of elements: 5
  • Element list: ['Na', 'Cr', 'P', 'O', 'F']
  • Chemical System: Cr-F-Na-O-P
  • Density: 2.923498370547413
  • Atomic Density: 0.08025206239069961
  • Unit Cell Volume: 672.8799035357631
  • Molar Volume: 7.504032395680716
  • Full Formula: Na15 Cr3 P6 O24 F6
  • Reduced Formula: Na5CrP2(O4F)2
  • Formula Anonymous: AB2C2D5E8
  • Spacegroup Number: 147
  • Spacegroup Symbol: P-3
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -356.94072807
  • Final energy per atom: -6.610013482777777
  • 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.