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  1. Third-Parties
  2. MatprojStructure
  3. mp-24227

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-24227
  • 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: 17
  • Number of elements: 4
  • Element list: ['H', 'Pt', 'N', 'Cl']
  • Chemical System: Cl-H-N-Pt
  • Density: 2.937610214262392
  • Atomic Density: 0.06775314710711246
  • Unit Cell Volume: 250.91085397294273
  • Molar Volume: 8.888355769628625
  • Full Formula: H8 Pt1 N2 Cl6
  • Reduced Formula: H8Pt(NCl3)2
  • Formula Anonymous: AB2C6D8
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -75.43995478
  • Final energy per atom: -4.4376443988235295
  • 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.