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  1. Third-Parties
  2. MatprojStructure
  3. mp-569237

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-569237
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 108
  • Number of elements: 3
  • Element list: ['Ga', 'Bi', 'Cl']
  • Chemical System: Bi-Cl-Ga
  • Density: 5.335332121115246
  • Atomic Density: 0.02760697573649159
  • Unit Cell Volume: 3912.0547296038267
  • Molar Volume: 21.813837261572207
  • Full Formula: Ga12 Bi48 Cl48
  • Reduced Formula: Ga(BiCl)4
  • Formula Anonymous: AB4C4
  • Spacegroup Number: 173
  • Spacegroup Symbol: P6_3
  • Crystal System: hexagonal
  • Pointgroup: 6

Thermodynamics:

  • Final energy: -411.42156254
  • Final energy per atom: -3.8094589124074076
  • 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.