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  1. Third-Parties
  2. MatprojStructure
  3. mp-1198248

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-1198248
  • 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: 52
  • Number of elements: 4
  • Element list: ['In', 'Bi', 'Se', 'I']
  • Chemical System: Bi-I-In-Se
  • Density: 6.476221492240727
  • Atomic Density: 0.03300408641171139
  • Unit Cell Volume: 1575.562472819971
  • Molar Volume: 18.24665189902988
  • Full Formula: In8 Bi12 Se28 I4
  • Reduced Formula: In2Bi3Se7I
  • Formula Anonymous: AB2C3D7
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -210.01382901
  • Final energy per atom: -4.038727480961539
  • 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.