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  1. Third-Parties
  2. MatprojStructure
  3. mp-1204832

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-1204832
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 88
  • Number of elements: 3
  • Element list: ['Ga', 'Ni', 'B']
  • Chemical System: B-Ga-Ni
  • Density: 7.910420958944423
  • Atomic Density: 0.10775288611960421
  • Unit Cell Volume: 816.6834612886491
  • Molar Volume: 5.588844045732109
  • Full Formula: Ga6 Ni54 B28
  • Reduced Formula: Ga3Ni27B14
  • Formula Anonymous: A3B14C27
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -545.47969194
  • Final energy per atom: -6.198632862954545
  • 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.