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  1. Third-Parties
  2. MatprojStructure
  3. mp-1194093

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-1194093
  • 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: 29
  • Number of elements: 5
  • Element list: ['H', 'Pt', 'C', 'N', 'Cl']
  • Chemical System: C-Cl-H-N-Pt
  • Density: 1.8440743714668628
  • Atomic Density: 0.06441249901314525
  • Unit Cell Volume: 450.2231778661732
  • Molar Volume: 9.349335691464178
  • Full Formula: H16 Pt1 C4 N2 Cl6
  • Reduced Formula: H16PtC4(NCl3)2
  • Formula Anonymous: AB2C4D6E16
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -140.34879610000002
  • Final energy per atom: -4.83961365862069
  • 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.