Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-680466

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-680466
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 172
  • Number of elements: 3
  • Element list: ['In', 'Bi', 'Br']
  • Chemical System: Bi-Br-In
  • Density: 6.370669005680242
  • Atomic Density: 0.028242242036314973
  • Unit Cell Volume: 6090.168046107519
  • Molar Volume: 21.32316815448468
  • Full Formula: In2 Bi74 Br96
  • Reduced Formula: InBi37Br48
  • Formula Anonymous: AB37C48
  • Spacegroup Number: 173
  • Spacegroup Symbol: P6_3
  • Crystal System: hexagonal
  • Pointgroup: 6

Thermodynamics:

  • Final energy: -592.1698953
  • Final energy per atom: -3.4428482284883724
  • 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.