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  1. Third-Parties
  2. MatprojStructure
  3. mp-1048483

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-1048483
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 13
  • Number of elements: 4
  • Element list: ['Ba', 'Al', 'Ni', 'O']
  • Chemical System: Al-Ba-Ni-O
  • Density: 5.889593641906319
  • Atomic Density: 0.0781879741328894
  • Unit Cell Volume: 166.26597816570887
  • Molar Volume: 7.702131723946041
  • Full Formula: Ba2 Al1 Ni3 O7
  • Reduced Formula: Ba2AlNi3O7
  • Formula Anonymous: AB2C3D7
  • Spacegroup Number: 47
  • Spacegroup Symbol: Pmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -83.4801549
  • Final energy per atom: -6.4215503769230775
  • 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.