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  1. Third-Parties
  2. MatprojStructure
  3. mp-582988

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-582988
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 25
  • Number of elements: 3
  • Element list: ['Bi', 'Pt', 'Cl']
  • Chemical System: Bi-Cl-Pt
  • Density: 6.199948707579308
  • Atomic Density: 0.029838207054170333
  • Unit Cell Volume: 837.8519511783426
  • Molar Volume: 20.182649544146507
  • Full Formula: Bi12 Pt1 Cl12
  • Reduced Formula: Bi12PtCl12
  • Formula Anonymous: AB12C12
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -97.97156698
  • Final energy per atom: -3.9188626792
  • 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.