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  1. Third-Parties
  2. MatprojStructure
  3. mp-1205064

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-1205064
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 4
  • Element list: ['Cr', 'Pt', 'N', 'Cl']
  • Chemical System: Cl-Cr-N-Pt
  • Density: 2.5669455760912094
  • Atomic Density: 0.037522273628727495
  • Unit Cell Volume: 1279.240178112518
  • Molar Volume: 16.049509205085528
  • Full Formula: Cr4 Pt4 N20 Cl20
  • Reduced Formula: CrPt(NCl)5
  • Formula Anonymous: ABC5D5
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -256.21719471
  • Final energy per atom: -5.337858223125
  • 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.