Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1075922

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-1075922
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 4
  • Element list: ['Sr', 'Ca', 'Ti', 'O']
  • Chemical System: Ca-O-Sr-Ti
  • Density: 4.829216780291869
  • Atomic Density: 0.0819021682463034
  • Unit Cell Volume: 488.38755867498503
  • Molar Volume: 7.3528465594337975
  • Full Formula: Sr7 Ca1 Ti8 O24
  • Reduced Formula: Sr7CaTi8O24
  • Formula Anonymous: AB7C8D24
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -337.47959433
  • Final energy per atom: -8.43698985825
  • 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.