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  1. Third-Parties
  2. MatprojStructure
  3. mp-1080152

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-1080152
  • 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: 12
  • Number of elements: 4
  • Element list: ['Mo', 'W', 'Se', 'S']
  • Chemical System: Mo-S-Se-W
  • Density: 5.4019025775444325
  • Atomic Density: 0.035762781016183895
  • Unit Cell Volume: 335.54437487872053
  • Molar Volume: 16.839128806215527
  • Full Formula: Mo1 W3 Se4 S4
  • Reduced Formula: MoW3(SeS)4
  • Formula Anonymous: AB3C4D4
  • Spacegroup Number: 156
  • Spacegroup Symbol: P3m1
  • Crystal System: trigonal
  • Pointgroup: 3m1

Thermodynamics:

  • Final energy: -92.36750625
  • Final energy per atom: -7.6972921875
  • 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.