Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1212239

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-1212239
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 4
  • Element list: ['Hg', 'Pt', 'N', 'Cl']
  • Chemical System: Cl-Hg-N-Pt
  • Density: 4.21827138439678
  • Atomic Density: 0.03208345474696034
  • Unit Cell Volume: 872.7239700597638
  • Molar Volume: 18.770237829735443
  • Full Formula: Hg6 Pt2 N4 Cl16
  • Reduced Formula: Hg3Pt(NCl4)2
  • Formula Anonymous: AB2C3D8
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -83.9492173
  • Final energy per atom: -2.9981863321428572
  • 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.