Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1330795

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-1330795
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 62
  • Number of elements: 4
  • Element list: ['Ca', 'Cu', 'Si', 'O']
  • Chemical System: Ca-Cu-O-Si
  • Density: 2.892843390032309
  • Atomic Density: 0.07586717460059195
  • Unit Cell Volume: 817.2177272503337
  • Molar Volume: 7.937742233981931
  • Full Formula: Ca2 Cu4 Si16 O40
  • Reduced Formula: CaCu2(Si2O5)4
  • Formula Anonymous: AB2C8D20
  • Spacegroup Number: 114
  • Spacegroup Symbol: P-42_1c
  • Crystal System: tetragonal
  • Pointgroup: -42m

Thermodynamics:

  • Final energy: -481.32466886
  • Final energy per atom: -7.763301110645161
  • 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.