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  1. Third-Parties
  2. MatprojStructure
  3. mp-690647

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-690647
  • 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: 58
  • Number of elements: 4
  • Element list: ['Ni', 'H', 'Br', 'O']
  • Chemical System: Br-H-Ni-O
  • Density: 2.491289975856558
  • Atomic Density: 0.09570947770570028
  • Unit Cell Volume: 606.0005904362555
  • Molar Volume: 6.29210492456938
  • Full Formula: Ni2 H24 Br4 O28
  • Reduced Formula: NiH12(BrO7)2
  • Formula Anonymous: AB2C12D14
  • Spacegroup Number: 147
  • Spacegroup Symbol: P-3
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -291.11997312
  • Final energy per atom: -5.019309881379311
  • 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.