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  1. Third-Parties
  2. MatprojStructure
  3. mp-1209865

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-1209865
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Nb', 'Se', 'Br']
  • Chemical System: Br-Nb-Se
  • Density: 5.680236461322882
  • Atomic Density: 0.040759977641522366
  • Unit Cell Volume: 294.40644216093847
  • Molar Volume: 14.77464196119975
  • Full Formula: Nb4 Se4 Br4
  • Reduced Formula: NbSeBr
  • Formula Anonymous: ABC
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -75.60962261
  • Final energy per atom: -6.300801884166667
  • 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.