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  1. Third-Parties
  2. MatprojStructure
  3. mp-771985

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-771985
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 37
  • Number of elements: 3
  • Element list: ['Ni', 'P', 'O']
  • Chemical System: Ni-O-P
  • Density: 3.9159897953803093
  • Atomic Density: 0.08897458813632383
  • Unit Cell Volume: 415.8490730331885
  • Molar Volume: 6.768382845192923
  • Full Formula: Ni7 P6 O24
  • Reduced Formula: Ni7(PO4)6
  • Formula Anonymous: A6B7C24
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -266.05865599
  • Final energy per atom: -7.190774486216216
  • 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.