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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223295

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-1223295
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 25
  • Number of elements: 6
  • Element list: ['Li', 'Mg', 'Zr', 'H', 'O', 'F']
  • Chemical System: F-H-Li-Mg-O-Zr
  • Density: 2.769400994534426
  • Atomic Density: 0.08070201110637945
  • Unit Cell Volume: 309.78162324908607
  • Molar Volume: 7.4621941602691395
  • Full Formula: Li2 Mg1 Zr2 H4 O4 F12
  • Reduced Formula: Li2MgZr2H4(OF3)4
  • Formula Anonymous: AB2C2D4E4F12
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -146.06466719
  • Final energy per atom: -5.8425866876
  • 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.