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  1. Third-Parties
  2. MatprojStructure
  3. mp-19942

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-19942
  • 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: 12
  • Number of elements: 4
  • Element list: ['Ba', 'Gd', 'Au', 'Se']
  • Chemical System: Au-Ba-Gd-Se
  • Density: 7.256707739545914
  • Atomic Density: 0.035996294466547396
  • Unit Cell Volume: 333.3676473602586
  • Molar Volume: 16.72989081027933
  • Full Formula: Ba2 Gd2 Au2 Se6
  • Reduced Formula: BaGdAuSe3
  • Formula Anonymous: ABCD3
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -80.53361149999999
  • Final energy per atom: -6.711134291666666
  • 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.