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  1. Third-Parties
  2. MatprojStructure
  3. mp-684728

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-684728
  • 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: 26
  • Number of elements: 6
  • Element list: ['Ba', 'Tm', 'Al', 'Si', 'N', 'O']
  • Chemical System: Al-Ba-N-O-Si-Tm
  • Density: 4.279738145914759
  • Atomic Density: 0.06468383538997045
  • Unit Cell Volume: 401.9551383007729
  • Molar Volume: 9.310117007894315
  • Full Formula: Ba2 Tm2 Al3 Si5 N11 O3
  • Reduced Formula: Ba2Tm2Al3Si5N11O3
  • Formula Anonymous: A2B2C3D3E5F11
  • Spacegroup Number: 156
  • Spacegroup Symbol: P3m1
  • Crystal System: trigonal
  • Pointgroup: 3m1

Thermodynamics:

  • Final energy: -167.38183069000002
  • Final energy per atom: -6.437762718846154
  • 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.