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  1. Third-Parties
  2. MatprojStructure
  3. mp-1190582

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-1190582
  • 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: 23
  • Number of elements: 3
  • Element list: ['Mg', 'Nb', 'H']
  • Chemical System: H-Mg-Nb
  • Density: 1.962329763090301
  • Atomic Density: 0.10664566898767786
  • Unit Cell Volume: 215.66745483735946
  • Molar Volume: 5.646868566876181
  • Full Formula: Mg6 Nb1 H16
  • Reduced Formula: Mg6NbH16
  • Formula Anonymous: AB6C16
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -77.95212295
  • Final energy per atom: -3.3892227369565218
  • 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.