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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223696

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-1223696
  • 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: 8
  • Number of elements: 3
  • Element list: ['In', 'I', 'Br']
  • Chemical System: Br-I-In
  • Density: 4.387681839488553
  • Atomic Density: 0.02356424968732556
  • Unit Cell Volume: 339.4973362679542
  • Molar Volume: 25.556259333133415
  • Full Formula: In2 I4 Br2
  • Reduced Formula: InI2Br
  • Formula Anonymous: ABC2
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -22.29558986
  • Final energy per atom: -2.7869487325
  • 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.