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  1. Third-Parties
  2. MatprojStructure
  3. mp-1198245

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-1198245
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 88
  • Number of elements: 7
  • Element list: ['Ga', 'Si', 'Bi', 'H', 'C', 'N', 'Cl']
  • Chemical System: Bi-C-Cl-Ga-H-N-Si
  • Density: 1.3524485477812396
  • Atomic Density: 0.07827304506763309
  • Unit Cell Volume: 1124.269535239905
  • Molar Volume: 7.6937606743119185
  • Full Formula: Ga1 Si6 Bi1 H54 C18 N4 Cl4
  • Reduced Formula: GaSi6BiH54C18(NCl)4
  • Formula Anonymous: ABC4D4E6F18G54
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -453.7926943400001
  • Final energy per atom: -5.156735162954546
  • 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.