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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223939

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-1223939
  • 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: 15
  • Number of elements: 4
  • Element list: ['In', 'Mo', 'Se', 'S']
  • Chemical System: In-Mo-S-Se
  • Density: 6.121120161008489
  • Atomic Density: 0.0487356052725455
  • Unit Cell Volume: 307.78318882293706
  • Molar Volume: 12.356757911022573
  • Full Formula: In1 Mo6 Se4 S4
  • Reduced Formula: InMo6(SeS)4
  • Formula Anonymous: AB4C4D6
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -110.76965806
  • Final energy per atom: -7.384643870666666
  • 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.