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  1. Third-Parties
  2. MatprojStructure
  3. mp-1019570

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-1019570
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 124
  • Number of elements: 3
  • Element list: ['Ca', 'Si', 'O']
  • Chemical System: Ca-O-Si
  • Density: 2.90362191251342
  • Atomic Density: 0.07236811246539601
  • Unit Cell Volume: 1713.4618518521208
  • Molar Volume: 8.321539079632046
  • Full Formula: Ca32 Si20 O72
  • Reduced Formula: Ca8Si5O18
  • Formula Anonymous: A5B8C18
  • Spacegroup Number: 60
  • Spacegroup Symbol: Pbcn
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -958.82869962
  • Final energy per atom: -7.7324895130645155
  • 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.