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  1. Third-Parties
  2. MatprojStructure
  3. mp-731452

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-731452
  • 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: 63
  • Number of elements: 5
  • Element list: ['Li', 'Ti', 'Ni', 'P', 'O']
  • Chemical System: Li-Ni-O-P-Ti
  • Density: 3.234934354874164
  • Atomic Density: 0.0895171660502456
  • Unit Cell Volume: 703.7756307504013
  • Molar Volume: 6.727358590216987
  • Full Formula: Li6 Ti8 Ni1 P8 O40
  • Reduced Formula: Li6Ti8Ni(PO5)8
  • Formula Anonymous: AB6C8D8E40
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -510.91071246
  • Final energy per atom: -8.109693848571428
  • 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.