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  1. Third-Parties
  2. MatprojStructure
  3. mp-779048

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-779048
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 60
  • Number of elements: 4
  • Element list: ['Li', 'Cr', 'P', 'O']
  • Chemical System: Cr-Li-O-P
  • Density: 2.524399233492823
  • Atomic Density: 0.06819617097383261
  • Unit Cell Volume: 879.8147922853683
  • Molar Volume: 8.830614203121083
  • Full Formula: Li2 Cr6 P12 O40
  • Reduced Formula: LiCr3(P3O10)2
  • Formula Anonymous: AB3C6D20
  • Spacegroup Number: 41
  • Spacegroup Symbol: Aea2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -478.22821679
  • Final energy per atom: -7.970470279833333
  • 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.