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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227775

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-1227775
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 4
  • Element list: ['Ba', 'Sr', 'Zr', 'O']
  • Chemical System: Ba-O-Sr-Zr
  • Density: 5.421850600351226
  • Atomic Density: 0.06823105861894978
  • Unit Cell Volume: 293.1216429118309
  • Molar Volume: 8.82609896708751
  • Full Formula: Ba1 Sr3 Zr4 O12
  • Reduced Formula: BaSr3Zr4O12
  • Formula Anonymous: AB3C4D12
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -173.49547741000003
  • Final energy per atom: -8.674773870500001
  • 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.