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  1. Third-Parties
  2. MatprojStructure
  3. mp-680178

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-680178
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 192
  • Number of elements: 2
  • Element list: ['In', 'Br']
  • Chemical System: Br-In
  • Density: 4.365773587512112
  • Atomic Density: 0.02783577082351664
  • Unit Cell Volume: 6897.599539000071
  • Molar Volume: 21.634539234359135
  • Full Formula: In80 Br112
  • Reduced Formula: In5Br7
  • Formula Anonymous: A5B7
  • Spacegroup Number: 92
  • Spacegroup Symbol: P4_12_12
  • Crystal System: tetragonal
  • Pointgroup: 422

Thermodynamics:

  • Final energy: -603.85881764
  • Final energy per atom: -3.1450980085416664
  • 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.