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  1. Third-Parties
  2. MatprojStructure
  3. mp-554445

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-554445
  • 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: 3
  • Element list: ['Bi', 'I', 'O']
  • Chemical System: Bi-I-O
  • Density: 7.875358742701983
  • Atomic Density: 0.04802489916968976
  • Unit Cell Volume: 1082.7716642624223
  • Molar Volume: 12.539621871399556
  • Full Formula: Bi20 I4 O28
  • Reduced Formula: Bi5IO7
  • Formula Anonymous: AB5C7
  • Spacegroup Number: 73
  • Spacegroup Symbol: Ibca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -304.4567372
  • Final energy per atom: -5.854937253846154
  • 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.