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  1. Third-Parties
  2. MatprojStructure
  3. mp-770679

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-770679
  • Created at: Sept. 4, 2022, 2:43 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: ['Li', 'Cr', 'P', 'O', 'F']
  • Chemical System: Cr-F-Li-O-P
  • Density: 2.7507127201933748
  • Atomic Density: 0.09476628150911823
  • Unit Cell Volume: 569.8229279451492
  • Molar Volume: 6.354729408075974
  • Full Formula: Li15 Cr3 P6 O24 F6
  • Reduced Formula: Li5CrP2(O4F)2
  • Formula Anonymous: AB2C2D5E8
  • Spacegroup Number: 143
  • Spacegroup Symbol: P3
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -369.57154057
  • Final energy per atom: -6.843917417962963
  • 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.