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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228509

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-1228509
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Ba', 'In', 'Au']
  • Chemical System: Au-Ba-In
  • Density: 7.042156695972378
  • Atomic Density: 0.031180135126924503
  • Unit Cell Volume: 192.43021159388474
  • Molar Volume: 19.314030344915963
  • Full Formula: Ba2 In3 Au1
  • Reduced Formula: Ba2In3Au
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -18.45933387
  • Final energy per atom: -3.0765556449999996
  • 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.