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  1. Third-Parties
  2. MatprojStructure
  3. mp-759194

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-759194
  • 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: 67
  • Number of elements: 5
  • Element list: ['Li', 'Cr', 'P', 'O', 'F']
  • Chemical System: Cr-F-Li-O-P
  • Density: 2.8120913332025617
  • Atomic Density: 0.0972571753715017
  • Unit Cell Volume: 688.895186849446
  • Molar Volume: 6.191975797155022
  • Full Formula: Li19 Cr4 P8 O35 F1
  • Reduced Formula: Li19Cr4P8O35F
  • Formula Anonymous: AB4C8D19E35
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -471.39422883
  • Final energy per atom: -7.035734758656716
  • 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.