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  1. Third-Parties
  2. MatprojStructure
  3. mp-1215091

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-1215091
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 78
  • Number of elements: 6
  • Element list: ['Ca', 'Al', 'Si', 'Sn', 'H', 'O']
  • Chemical System: Al-Ca-H-O-Si-Sn
  • Density: 2.718888918792693
  • Atomic Density: 0.08193315112007504
  • Unit Cell Volume: 951.9956078057962
  • Molar Volume: 7.350066093728539
  • Full Formula: Ca4 Al4 Si12 Sn2 H12 O44
  • Reduced Formula: Ca2Al2Si6Sn(H3O11)2
  • Formula Anonymous: AB2C2D6E6F22
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -543.0542163499999
  • Final energy per atom: -6.962233542948717
  • 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.