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  1. Third-Parties
  2. MatprojStructure
  3. mp-21957

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-21957
  • 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: 80
  • Number of elements: 4
  • Element list: ['K', 'Ni', 'P', 'O']
  • Chemical System: K-Ni-O-P
  • Density: 3.798616884679745
  • Atomic Density: 0.08187680490884575
  • Unit Cell Volume: 977.0776972680454
  • Molar Volume: 7.355124283006046
  • Full Formula: K4 Ni16 P12 O48
  • Reduced Formula: KNi4(PO4)3
  • Formula Anonymous: AB3C4D12
  • Spacegroup Number: 58
  • Spacegroup Symbol: Pnnm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -574.43631304
  • Final energy per atom: -7.180453912999999
  • 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.