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  1. Third-Parties
  2. MatprojStructure
  3. mp-1194671

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-1194671
  • 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: 40
  • Number of elements: 3
  • Element list: ['Li', 'Se', 'O']
  • Chemical System: Li-O-Se
  • Density: 2.4540441630447534
  • Atomic Density: 0.07214781347104422
  • Unit Cell Volume: 554.4173561968526
  • Molar Volume: 8.34694839701126
  • Full Formula: Li8 Se4 O28
  • Reduced Formula: Li2SeO7
  • Formula Anonymous: AB2C7
  • Spacegroup Number: 52
  • Spacegroup Symbol: Pnna
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -194.56632222
  • Final energy per atom: -4.8641580555
  • 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.