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  1. Third-Parties
  2. MatprojStructure
  3. mp-569707

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-569707
  • 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: 12
  • Number of elements: 3
  • Element list: ['Bi', 'Se', 'Br']
  • Chemical System: Bi-Br-Se
  • Density: 6.215972666966726
  • Atomic Density: 0.030529318135920323
  • Unit Cell Volume: 393.0647892813887
  • Molar Volume: 19.725762407102184
  • Full Formula: Bi4 Se4 Br4
  • Reduced Formula: BiSeBr
  • Formula Anonymous: ABC
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -46.69406169
  • Final energy per atom: -3.8911718074999997
  • 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.