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  1. Third-Parties
  2. MatprojStructure
  3. mp-1036323

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-1036323
  • 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: 32
  • Number of elements: 4
  • Element list: ['Ba', 'Ca', 'Mg', 'O']
  • Chemical System: Ba-Ca-Mg-O
  • Density: 3.6147317642867227
  • Atomic Density: 0.09003757335592565
  • Unit Cell Volume: 355.4071795504913
  • Molar Volume: 6.688475194898913
  • Full Formula: Ba1 Ca1 Mg14 O16
  • Reduced Formula: BaCaMg14O16
  • Formula Anonymous: ABC14D16
  • Spacegroup Number: 47
  • Spacegroup Symbol: Pmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -196.04213227
  • Final energy per atom: -6.1263166334375
  • 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.