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  1. Third-Parties
  2. MatprojStructure
  3. mp-1203626

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-1203626
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 4
  • Element list: ['Li', 'Zn', 'Cl', 'O']
  • Chemical System: Cl-Li-O-Zn
  • Density: 1.9557962947098828
  • Atomic Density: 0.04156226388469219
  • Unit Cell Volume: 769.9291859745381
  • Molar Volume: 14.48944354115902
  • Full Formula: Li4 Zn4 Cl12 O12
  • Reduced Formula: LiZn(ClO)3
  • Formula Anonymous: ABC3D3
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -114.45130288
  • Final energy per atom: -3.576603215
  • 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.