Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-756493

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-756493
  • 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: 22
  • Number of elements: 4
  • Element list: ['Li', 'Cr', 'Sn', 'O']
  • Chemical System: Cr-Li-O-Sn
  • Density: 4.431574669731546
  • Atomic Density: 0.08826829678182128
  • Unit Cell Volume: 249.24011000664132
  • Molar Volume: 6.8225410249903575
  • Full Formula: Li4 Cr4 Sn2 O12
  • Reduced Formula: Li2Cr2SnO6
  • Formula Anonymous: AB2C2D6
  • Spacegroup Number: 64
  • Spacegroup Symbol: Cmce
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -163.12025499
  • Final energy per atom: -7.4145570450000005
  • 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.