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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227468

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-1227468
  • 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: 20
  • Number of elements: 5
  • Element list: ['Ca', 'Mg', 'Al', 'Si', 'O']
  • Chemical System: Al-Ca-Mg-O-Si
  • Density: 3.250677746921256
  • Atomic Density: 0.0900724083458982
  • Unit Cell Volume: 222.04357990735102
  • Molar Volume: 6.685888465281878
  • Full Formula: Ca2 Mg1 Al2 Si3 O12
  • Reduced Formula: Ca2MgAl2(SiO4)3
  • Formula Anonymous: AB2C2D3E12
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -156.38057899
  • Final energy per atom: -7.8190289495
  • 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.