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  1. Third-Parties
  2. MatprojStructure
  3. mp-1194687

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-1194687
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 92
  • Number of elements: 3
  • Element list: ['Bi', 'Pt', 'I']
  • Chemical System: Bi-I-Pt
  • Density: 8.44929601672636
  • Atomic Density: 0.027928730449578717
  • Unit Cell Volume: 3294.098890964367
  • Molar Volume: 21.562529563855772
  • Full Formula: Bi52 Pt12 I28
  • Reduced Formula: Bi13Pt3I7
  • Formula Anonymous: A3B7C13
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -353.7873993
  • Final energy per atom: -3.845515209782609
  • 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.