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  1. Third-Parties
  2. MatprojStructure
  3. mp-610491

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-610491
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Bi', 'Se', 'Cl']
  • Chemical System: Bi-Cl-Se
  • Density: 5.8637078864698475
  • Atomic Density: 0.0327576947581923
  • Unit Cell Volume: 366.3261437833304
  • Molar Volume: 18.383896682760124
  • Full Formula: Bi4 Se4 Cl4
  • Reduced Formula: BiSeCl
  • Formula Anonymous: ABC
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -49.02306528
  • Final energy per atom: -4.08525544
  • 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.