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  1. Third-Parties
  2. MatprojStructure
  3. mp-1028663

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-1028663
  • 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: 12
  • Number of elements: 3
  • Element list: ['W', 'Se', 'S']
  • Chemical System: S-Se-W
  • Density: 5.7879409880890496
  • Atomic Density: 0.03546280028442625
  • Unit Cell Volume: 338.38275330078454
  • Molar Volume: 16.981571426113995
  • Full Formula: W4 Se4 S4
  • Reduced Formula: WSeS
  • Formula Anonymous: ABC
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -94.34639708
  • Final energy per atom: -7.862199756666667
  • 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.