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  1. Third-Parties
  2. MatprojStructure
  3. mp-774182

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-774182
  • 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: 42
  • Number of elements: 4
  • Element list: ['Li', 'Cr', 'P', 'O']
  • Chemical System: Cr-Li-O-P
  • Density: 2.8668974306992294
  • Atomic Density: 0.0919875020709525
  • Unit Cell Volume: 456.5837646901667
  • Molar Volume: 6.546694523083099
  • Full Formula: Li9 Cr3 P6 O24
  • Reduced Formula: Li3Cr(PO4)2
  • Formula Anonymous: AB2C3D8
  • Spacegroup Number: 146
  • Spacegroup Symbol: R3H
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -307.89882101
  • Final energy per atom: -7.330924309761905
  • 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.