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  1. Third-Parties
  2. MatprojStructure
  3. mp-1194678

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-1194678
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 52
  • Number of elements: 5
  • Element list: ['Bi', 'Te', 'I', 'Cl', 'O']
  • Chemical System: Bi-Cl-I-O-Te
  • Density: 6.26591054596859
  • Atomic Density: 0.05868365047827364
  • Unit Cell Volume: 886.1071112004506
  • Molar Volume: 10.262041830934782
  • Full Formula: Bi8 Te4 I4 Cl4 O32
  • Reduced Formula: Bi2TeIClO8
  • Formula Anonymous: ABCD2E8
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -288.44874682
  • Final energy per atom: -5.547091285
  • 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.