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  1. Third-Parties
  2. MatprojStructure
  3. mp-1236203

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-1236203
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 23
  • Number of elements: 4
  • Element list: ['Li', 'Er', 'Zr', 'O']
  • Chemical System: Er-Li-O-Zr
  • Density: 6.995730146111207
  • Atomic Density: 0.07660687543066416
  • Unit Cell Volume: 300.2341483150163
  • Molar Volume: 7.861096965703239
  • Full Formula: Li1 Er4 Zr4 O14
  • Reduced Formula: LiEr4Zr4O14
  • Formula Anonymous: AB4C4D14
  • Spacegroup Number: 25
  • Spacegroup Symbol: Pmm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -206.85939375
  • Final energy per atom: -8.993886684782609
  • 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.