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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195311

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-1195311
  • 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: 44
  • Number of elements: 7
  • Element list: ['Ca', 'La', 'Mg', 'Al', 'Si', 'H', 'O']
  • Chemical System: Al-Ca-H-La-Mg-O-Si
  • Density: 3.822229088433628
  • Atomic Density: 0.09198701252309059
  • Unit Cell Volume: 478.32839433670176
  • Molar Volume: 6.546729364091829
  • Full Formula: Ca2 La2 Mg2 Al4 Si6 H2 O26
  • Reduced Formula: CaLaMgAl2Si3HO13
  • Formula Anonymous: ABCDE2F3G13
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -346.15706613000003
  • Final energy per atom: -7.867206048409091
  • 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.