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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227881

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-1227881
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['Ba', 'Mg', 'In']
  • Chemical System: Ba-In-Mg
  • Density: 5.511515130970771
  • Atomic Density: 0.03279197599918389
  • Unit Cell Volume: 152.47632530971714
  • Molar Volume: 18.364677871653342
  • Full Formula: Ba1 Mg1 In3
  • Reduced Formula: BaMgIn3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 119
  • Spacegroup Symbol: I-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -13.52634353
  • Final energy per atom: -2.705268706
  • 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.