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  1. Third-Parties
  2. MatprojStructure
  3. mp-766392

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-766392
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 58
  • Number of elements: 4
  • Element list: ['Ti', 'Ni', 'P', 'O']
  • Chemical System: Ni-O-P-Ti
  • Density: 3.2786368303977533
  • Atomic Density: 0.08250018628656534
  • Unit Cell Volume: 703.0287155781241
  • Molar Volume: 7.299548075057704
  • Full Formula: Ti8 Ni2 P8 O40
  • Reduced Formula: Ti4Ni(PO5)4
  • Formula Anonymous: AB4C4D20
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -479.0501091100001
  • Final energy per atom: -8.259484639827589
  • 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.