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  1. Third-Parties
  2. MatprojStructure
  3. mp-1235441

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-1235441
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 7
  • Number of elements: 4
  • Element list: ['Li', 'Zr', 'Se', 'O']
  • Chemical System: Li-O-Se-Zr
  • Density: 5.281737692878322
  • Atomic Density: 0.058699445406690816
  • Unit Cell Volume: 119.25155257432993
  • Molar Volume: 10.259280506445075
  • Full Formula: Li1 Zr2 Se2 O2
  • Reduced Formula: LiZr2(SeO)2
  • Formula Anonymous: AB2C2D2
  • Spacegroup Number: 115
  • Spacegroup Symbol: P-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -52.90954363
  • Final energy per atom: -7.558506232857143
  • 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.