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  1. Third-Parties
  2. MatprojStructure
  3. mp-1519985

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-1519985
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 5
  • Element list: ['Ba', 'Sr', 'Ca', 'W', 'O']
  • Chemical System: Ba-Ca-O-Sr-W
  • Density: 5.836871676106093
  • Atomic Density: 0.06451266843956145
  • Unit Cell Volume: 310.0166290398754
  • Molar Volume: 9.334818890094168
  • Full Formula: Ba2 Sr2 Ca2 W2 O12
  • Reduced Formula: BaSrCaWO6
  • Formula Anonymous: ABCDE6
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -155.49083012
  • Final energy per atom: -7.774541506
  • 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.