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  1. Third-Parties
  2. MatprojStructure
  3. mp-31407

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-31407
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 3
  • Element list: ['Ba', 'In', 'Bi']
  • Chemical System: Ba-Bi-In
  • Density: 6.827753035215075
  • Atomic Density: 0.026275574828069692
  • Unit Cell Volume: 1065.6284470735209
  • Molar Volume: 22.919158950489116
  • Full Formula: Ba10 In8 Bi10
  • Reduced Formula: Ba5In4Bi5
  • Formula Anonymous: A4B5C5
  • Spacegroup Number: 104
  • Spacegroup Symbol: P4nc
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -98.18781824
  • Final energy per atom: -3.506707794285714
  • 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.