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  1. Third-Parties
  2. MatprojStructure
  3. mp-505765

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-505765
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 60
  • Number of elements: 3
  • Element list: ['Ba', 'Co', 'N']
  • Chemical System: Ba-Co-N
  • Density: 5.562269067670707
  • Atomic Density: 0.04779178474397892
  • Unit Cell Volume: 1255.4458955952496
  • Molar Volume: 12.600786499731427
  • Full Formula: Ba20 Co20 N20
  • Reduced Formula: BaCoN
  • Formula Anonymous: ABC
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -379.07009746
  • Final energy per atom: -6.317834957666666
  • 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.