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  1. Third-Parties
  2. MatprojStructure
  3. mp-1219513

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-1219513
  • 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: 20
  • Number of elements: 3
  • Element list: ['Sb', 'As', 'S']
  • Chemical System: As-S-Sb
  • Density: 4.118713976400113
  • Atomic Density: 0.03920930237554901
  • Unit Cell Volume: 510.0830361233878
  • Molar Volume: 15.35895921411603
  • Full Formula: Sb6 As2 S12
  • Reduced Formula: Sb3AsS6
  • Formula Anonymous: AB3C6
  • Spacegroup Number: 26
  • Spacegroup Symbol: Pmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -93.78909896
  • Final energy per atom: -4.689454948
  • 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.