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  1. Third-Parties
  2. MatprojStructure
  3. mp-755289

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-755289
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 15
  • Number of elements: 4
  • Element list: ['Li', 'Y', 'Zr', 'O']
  • Chemical System: Li-O-Y-Zr
  • Density: 4.122917405144228
  • Atomic Density: 0.07349278123670867
  • Unit Cell Volume: 204.10167839052605
  • Molar Volume: 8.194193577466653
  • Full Formula: Li3 Y3 Zr1 O8
  • Reduced Formula: Li3Y3ZrO8
  • Formula Anonymous: AB3C3D8
  • Spacegroup Number: 21
  • Spacegroup Symbol: C222
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -123.86605284
  • Final energy per atom: -8.257736856
  • 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.