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  1. Third-Parties
  2. MatprojStructure
  3. mp-1078776

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-1078776
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['In', 'Bi', 'S']
  • Chemical System: Bi-In-S
  • Density: 5.344519134450447
  • Atomic Density: 0.0383166098958895
  • Unit Cell Volume: 260.9834227811676
  • Molar Volume: 15.716789080147818
  • Full Formula: In2 Bi2 S6
  • Reduced Formula: InBiS3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -45.4682357
  • Final energy per atom: -4.54682357
  • 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.