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  1. Third-Parties
  2. MatprojStructure
  3. mp-1222505

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-1222505
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 15
  • Number of elements: 3
  • Element list: ['Li', 'P', 'Se']
  • Chemical System: Li-P-Se
  • Density: 3.077976459662086
  • Atomic Density: 0.049626822923685074
  • Unit Cell Volume: 302.2558994571673
  • Molar Volume: 12.134850480476462
  • Full Formula: Li8 P1 Se6
  • Reduced Formula: Li8PSe6
  • Formula Anonymous: AB6C8
  • Spacegroup Number: 82
  • Spacegroup Symbol: I-4
  • Crystal System: tetragonal
  • Pointgroup: -4

Thermodynamics:

  • Final energy: -58.49736925
  • Final energy per atom: -3.8998246166666664
  • 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.