Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1218557

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-1218557
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 30
  • Number of elements: 4
  • Element list: ['Sr', 'Co', 'Sb', 'O']
  • Chemical System: Co-O-Sb-Sr
  • Density: 5.898867110033081
  • Atomic Density: 0.07512353943628215
  • Unit Cell Volume: 399.342206518973
  • Molar Volume: 8.016316596887483
  • Full Formula: Sr6 Co2 Sb4 O18
  • Reduced Formula: Sr3CoSb2O9
  • Formula Anonymous: AB2C3D9
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -203.13240573
  • Final energy per atom: -6.771080190999999
  • 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.