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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196358

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-1196358
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 192
  • Number of elements: 7
  • Element list: ['P', 'H', 'Pt', 'C', 'I', 'N', 'Cl']
  • Chemical System: C-Cl-H-I-N-P-Pt
  • Density: 2.3546584026874933
  • Atomic Density: 0.07477890751518702
  • Unit Cell Volume: 2567.56893594636
  • Molar Volume: 8.053261220454377
  • Full Formula: P4 H120 Pt8 C40 I8 N4 Cl8
  • Reduced Formula: PH30Pt2C10I2NCl2
  • Formula Anonymous: ABC2D2E2F10G30
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -945.1811690000002
  • Final energy per atom: -4.922818588541667
  • 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.