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  1. Third-Parties
  2. MatprojStructure
  3. mp-679967

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-679967
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 128
  • Number of elements: 3
  • Element list: ['Nb', 'Se', 'Br']
  • Chemical System: Br-Nb-Se
  • Density: 4.438726649267712
  • Atomic Density: 0.032697248093088487
  • Unit Cell Volume: 3914.7025350753147
  • Molar Volume: 18.41788257793155
  • Full Formula: Nb24 Se80 Br24
  • Reduced Formula: Nb3Se10Br3
  • Formula Anonymous: A3B3C10
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -694.5055734
  • Final energy per atom: -5.4258247921875
  • 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.