Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1227259

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-1227259
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 5
  • Element list: ['Ca', 'Zn', 'Co', 'Si', 'O']
  • Chemical System: Ca-Co-O-Si-Zn
  • Density: 3.2759943415068764
  • Atomic Density: 0.07585140748680184
  • Unit Cell Volume: 632.8162072450931
  • Molar Volume: 7.939392240081838
  • Full Formula: Ca8 Zn3 Co1 Si8 O28
  • Reduced Formula: Ca8Zn3Co(Si2O7)4
  • Formula Anonymous: AB3C8D8E28
  • Spacegroup Number: 81
  • Spacegroup Symbol: P-4
  • Crystal System: tetragonal
  • Pointgroup: -4

Thermodynamics:

  • Final energy: -359.31265663000005
  • Final energy per atom: -7.485680346458334
  • 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.