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  1. Third-Parties
  2. MatprojStructure
  3. mp-1194717

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-1194717
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 66
  • Number of elements: 3
  • Element list: ['Bi', 'Pt', 'I']
  • Chemical System: Bi-I-Pt
  • Density: 10.973490960833058
  • Atomic Density: 0.0348865134125618
  • Unit Cell Volume: 1891.8485553284033
  • Molar Volume: 17.262088328470142
  • Full Formula: Bi32 Pt22 I12
  • Reduced Formula: Bi16Pt11I6
  • Formula Anonymous: A6B11C16
  • Spacegroup Number: 90
  • Spacegroup Symbol: P42_12
  • Crystal System: tetragonal
  • Pointgroup: 422

Thermodynamics:

  • Final energy: -299.94559181
  • Final energy per atom: -4.544630178939394
  • 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.