Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1193012

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-1193012
  • 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: ['Pt', 'N', 'Cl', 'O']
  • Chemical System: Cl-N-O-Pt
  • Density: 4.203821386041773
  • Atomic Density: 0.0543591512197567
  • Unit Cell Volume: 515.0926637320906
  • Molar Volume: 11.078430447992845
  • Full Formula: Pt4 N8 Cl8 O8
  • Reduced Formula: PtN2(ClO)2
  • Formula Anonymous: AB2C2D2
  • Spacegroup Number: 137
  • Spacegroup Symbol: P4_2/nmc
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -132.38905162999998
  • Final energy per atom: -4.7281804153571425
  • 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.