Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1235036

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-1235036
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 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: 4.844529119515998
  • Atomic Density: 0.07615583839984548
  • Unit Cell Volume: 144.4406657602015
  • Molar Volume: 7.907654733418599
  • Full Formula: Sr2 Li1 Zr1 Cr1 O6
  • Reduced Formula: Sr2LiZrCrO6
  • Formula Anonymous: ABCD2E6
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -84.79425051999999
  • Final energy per atom: -7.7085682290909086
  • 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.