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  1. Third-Parties
  2. MatprojStructure
  3. mp-1229169

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-1229169
  • 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: 114
  • Number of elements: 4
  • Element list: ['Ca', 'Al', 'Si', 'O']
  • Chemical System: Al-Ca-O-Si
  • Density: 1.6530883093216744
  • Atomic Density: 0.04928341158976008
  • Unit Cell Volume: 2313.151551863883
  • Molar Volume: 12.219407232049775
  • Full Formula: Ca2 Al4 Si32 O76
  • Reduced Formula: CaAl2(Si8O19)2
  • Formula Anonymous: AB2C16D38
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -917.49668024
  • Final energy per atom: -8.048216493333333
  • 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.