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  1. Third-Parties
  2. MatprojStructure
  3. mp-1246447

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-1246447
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 64
  • Number of elements: 3
  • Element list: ['Ga', 'Bi', 'N']
  • Chemical System: Bi-Ga-N
  • Density: 8.36742555063012
  • Atomic Density: 0.06571510198610409
  • Unit Cell Volume: 973.9009461407096
  • Molar Volume: 9.164013412432082
  • Full Formula: Ga16 Bi16 N32
  • Reduced Formula: GaBiN2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -376.08050154
  • Final energy per atom: -5.8762578365625
  • 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.