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  1. Third-Parties
  2. MatprojStructure
  3. mp-1105117

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-1105117
  • 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: 38
  • Number of elements: 4
  • Element list: ['Ni', 'Sb', 'O', 'F']
  • Chemical System: F-Ni-O-Sb
  • Density: 5.251364436454324
  • Atomic Density: 0.06881913070719936
  • Unit Cell Volume: 552.1720429988621
  • Molar Volume: 8.750678333357685
  • Full Formula: Ni6 Sb8 O12 F12
  • Reduced Formula: Ni3Sb4(OF)6
  • Formula Anonymous: A3B4C6D6
  • Spacegroup Number: 217
  • Spacegroup Symbol: I-43m
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -227.30798427
  • Final energy per atom: -5.981789059736842
  • 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.