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  1. Third-Parties
  2. MatprojStructure
  3. mp-760793

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-760793
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 49
  • Number of elements: 5
  • Element list: ['Li', 'Cr', 'P', 'O', 'F']
  • Chemical System: Cr-F-Li-O-P
  • Density: 2.5920016922918596
  • Atomic Density: 0.08412300306813406
  • Unit Cell Volume: 582.4803943377206
  • Molar Volume: 7.158732499269512
  • Full Formula: Li10 Cr3 P6 O24 F6
  • Reduced Formula: Li10Cr3P6(O4F)6
  • Formula Anonymous: A3B6C6D10E24
  • Spacegroup Number: 143
  • Spacegroup Symbol: P3
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -337.05349108
  • Final energy per atom: -6.878642675102041
  • 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.