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  1. Third-Parties
  2. MatprojStructure
  3. mp-776035

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-776035
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 98
  • Number of elements: 4
  • Element list: ['Li', 'Cu', 'P', 'O']
  • Chemical System: Cu-Li-O-P
  • Density: 2.7964846336712967
  • Atomic Density: 0.08552365486249233
  • Unit Cell Volume: 1145.8818049528816
  • Molar Volume: 7.041491350764406
  • Full Formula: Li18 Cu6 P16 O58
  • Reduced Formula: Li9Cu3P8O29
  • Formula Anonymous: A3B8C9D29
  • Spacegroup Number: 165
  • Spacegroup Symbol: P-3c1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -669.52425211
  • Final energy per atom: -6.831880123571429
  • 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.