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  1. Third-Parties
  2. MatprojStructure
  3. mp-758764

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-758764
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 68
  • Number of elements: 5
  • Element list: ['Li', 'Ni', 'P', 'O', 'F']
  • Chemical System: F-Li-Ni-O-P
  • Density: 3.3034182960938243
  • Atomic Density: 0.09236451401056286
  • Unit Cell Volume: 736.2134768794807
  • Molar Volume: 6.519972334084174
  • Full Formula: Li12 Ni8 P8 O32 F8
  • Reduced Formula: Li3Ni2P2(O4F)2
  • Formula Anonymous: A2B2C2D3E8
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -450.0494712699999
  • Final energy per atom: -6.618374577499999
  • 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.