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  1. Third-Parties
  2. MatprojStructure
  3. mp-1202311

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-1202311
  • 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: 124
  • Number of elements: 5
  • Element list: ['In', 'Si', 'H', 'C', 'Br']
  • Chemical System: Br-C-H-In-Si
  • Density: 1.6199448579369196
  • Atomic Density: 0.06967874560322015
  • Unit Cell Volume: 1779.5957565899323
  • Molar Volume: 8.642722695228443
  • Full Formula: In4 Si8 H76 C28 Br8
  • Reduced Formula: InSi2H19C7Br2
  • Formula Anonymous: AB2C2D7E19
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -619.6694942400001
  • Final energy per atom: -4.997334630967742
  • 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.