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  1. Third-Parties
  2. MatprojStructure
  3. mp-650280

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-650280
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 184
  • Number of elements: 3
  • Element list: ['Cs', 'As', 'S']
  • Chemical System: As-Cs-S
  • Density: 3.0987325113043176
  • Atomic Density: 0.033478429630427894
  • Unit Cell Volume: 5496.076190884592
  • Molar Volume: 17.988121983256327
  • Full Formula: Cs16 As64 S104
  • Reduced Formula: Cs2As8S13
  • Formula Anonymous: A2B8C13
  • Spacegroup Number: 60
  • Spacegroup Symbol: Pbcn
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -857.9793032800001
  • Final energy per atom: -4.662930996086957
  • 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.