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  1. Third-Parties
  2. MatprojStructure
  3. mp-1211194

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-1211194
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 96
  • Number of elements: 5
  • Element list: ['Na', 'Ni', 'B', 'P', 'O']
  • Chemical System: B-Na-Ni-O-P
  • Density: 2.7887070099213798
  • Atomic Density: 0.08131817231031563
  • Unit Cell Volume: 1180.5479300943648
  • Molar Volume: 7.405651884328026
  • Full Formula: Na6 Ni6 B6 P12 O66
  • Reduced Formula: NaNiBP2O11
  • Formula Anonymous: ABCD2E11
  • Spacegroup Number: 178
  • Spacegroup Symbol: P6_122
  • Crystal System: hexagonal
  • Pointgroup: 622

Thermodynamics:

  • Final energy: -636.14572534
  • Final energy per atom: -6.6265179722916665
  • 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.