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  1. Third-Parties
  2. MatprojStructure
  3. mp-1235588

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-1235588
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 11
  • Number of elements: 5
  • Element list: ['Sr', 'Li', 'Zr', 'Cr', 'O']
  • Chemical System: Cr-Li-O-Sr-Zr
  • Density: 4.934974694951606
  • Atomic Density: 0.07757763987052038
  • Unit Cell Volume: 141.79343453035384
  • Molar Volume: 7.762727468960321
  • Full Formula: Sr2 Li1 Zr1 Cr1 O6
  • Reduced Formula: Sr2LiZrCrO6
  • Formula Anonymous: ABCD2E6
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -85.34133381
  • Final energy per atom: -7.758303073636363
  • 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.