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  1. Third-Parties
  2. MatprojStructure
  3. mp-1214119

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-1214119
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 4
  • Element list: ['Ca', 'La', 'Be', 'O']
  • Chemical System: Be-Ca-La-O
  • Density: 4.55071236760161
  • Atomic Density: 0.08006126919514657
  • Unit Cell Volume: 449.6556245224048
  • Molar Volume: 7.52191517888786
  • Full Formula: Ca8 La4 Be4 O20
  • Reduced Formula: Ca2LaBeO5
  • Formula Anonymous: ABC2D5
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -264.30346184
  • Final energy per atom: -7.341762828888889
  • 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.