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  1. Third-Parties
  2. MatprojStructure
  3. mp-725591

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-725591
  • 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: 14
  • Number of elements: 3
  • Element list: ['Pt', 'N', 'Cl']
  • Chemical System: Cl-N-Pt
  • Density: 3.0649723748614415
  • Atomic Density: 0.035407108041924845
  • Unit Cell Volume: 395.40083260747764
  • Molar Volume: 17.00828193273877
  • Full Formula: Pt2 N4 Cl8
  • Reduced Formula: Pt(NCl2)2
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -56.58930641
  • Final energy per atom: -4.042093315
  • 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.