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  1. Third-Parties
  2. MatprojStructure
  3. mp-696127

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-696127
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:40 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 50
  • Number of elements: 4
  • Element list: ['Li', 'Ge', 'P', 'Se']
  • Chemical System: Ge-Li-P-Se
  • Density: 3.3163516601526757
  • Atomic Density: 0.043359167571818985
  • Unit Cell Volume: 1153.1586697826085
  • Molar Volume: 13.888967656090454
  • Full Formula: Li20 Ge2 P4 Se24
  • Reduced Formula: Li10Ge(PSe6)2
  • Formula Anonymous: AB2C10D12
  • Spacegroup Number: 105
  • Spacegroup Symbol: P4_2mc
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -204.91208069
  • Final energy per atom: -4.0982416138
  • 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.