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  1. Third-Parties
  2. MatprojStructure
  3. mp-1182473

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-1182473
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 4
  • Element list: ['Bi', 'Te', 'I', 'O']
  • Chemical System: Bi-I-O-Te
  • Density: 5.930099769335577
  • Atomic Density: 0.04189217313971739
  • Unit Cell Volume: 572.8993795560807
  • Molar Volume: 14.375336270847434
  • Full Formula: Bi4 Te4 I4 O12
  • Reduced Formula: BiTeIO3
  • Formula Anonymous: ABCD3
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -102.11432448
  • Final energy per atom: -4.25476352
  • 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.