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  1. Third-Parties
  2. MatprojStructure
  3. mp-1203511

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-1203511
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 5
  • Element list: ['Hg', 'H', 'Pt', 'N', 'Cl']
  • Chemical System: Cl-H-Hg-N-Pt
  • Density: 4.3318164855599015
  • Atomic Density: 0.0468118346604445
  • Unit Cell Volume: 854.4847748468951
  • Molar Volume: 12.864568978512272
  • Full Formula: Hg6 H12 Pt2 N4 Cl16
  • Reduced Formula: Hg3H6Pt(NCl4)2
  • Formula Anonymous: AB2C3D6E8
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -150.53644562
  • Final energy per atom: -3.7634111404999997
  • 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.