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  1. Third-Parties
  2. MatprojStructure
  3. mp-1173470

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-1173470
  • 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: 26
  • Number of elements: 5
  • Element list: ['Ni', 'Ge', 'H', 'O', 'F']
  • Chemical System: F-Ge-H-Ni-O
  • Density: 0.5480532649124369
  • Atomic Density: 0.024280712578024253
  • Unit Cell Volume: 1070.8087712191702
  • Molar Volume: 24.80215825894031
  • Full Formula: Ni1 Ge1 H12 O6 F6
  • Reduced Formula: NiGeH12(OF)6
  • Formula Anonymous: ABC6D6E12
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -83.72923374
  • Final energy per atom: -3.2203551438461537
  • 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.