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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196259

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-1196259
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 84
  • Number of elements: 3
  • Element list: ['Sb', 'W', 'Br']
  • Chemical System: Br-Sb-W
  • Density: 5.06382250966491
  • Atomic Density: 0.028595238751845786
  • Unit Cell Volume: 2937.551972514232
  • Molar Volume: 21.05994222416233
  • Full Formula: Sb4 W20 Br60
  • Reduced Formula: Sb(WBr3)5
  • Formula Anonymous: AB5C15
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -448.8402746
  • Final energy per atom: -5.343336602380952
  • 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.