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  1. Third-Parties
  2. MatprojStructure
  3. mp-720126

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-720126
  • 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: 54
  • Number of elements: 5
  • Element list: ['Na', 'Cr', 'P', 'O', 'F']
  • Chemical System: Cr-F-Na-O-P
  • Density: 3.089476959577253
  • Atomic Density: 0.07975594614357329
  • Unit Cell Volume: 677.0655055961781
  • Molar Volume: 7.550710700816208
  • Full Formula: Na9 Cr6 P6 O24 F9
  • Reduced Formula: Na3Cr2P2O8F3
  • Formula Anonymous: A2B2C3D3E8
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -386.27657611
  • Final energy per atom: -7.153269927962963
  • 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.