Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1227935

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-1227935
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 76
  • Number of elements: 4
  • Element list: ['Ca', 'Si', 'Ge', 'O']
  • Chemical System: Ca-Ge-O-Si
  • Density: 3.5284623156759993
  • Atomic Density: 0.07198039179696358
  • Unit Cell Volume: 1055.843099803827
  • Molar Volume: 8.366362851964967
  • Full Formula: Ca20 Si3 Ge9 O44
  • Reduced Formula: Ca20Si3Ge9O44
  • Formula Anonymous: A3B9C20D44
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -547.0491964099999
  • Final energy per atom: -7.198015742236841
  • 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.