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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195200

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-1195200
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 65
  • Number of elements: 5
  • Element list: ['Co', 'H', 'Pt', 'N', 'Cl']
  • Chemical System: Cl-Co-H-N-Pt
  • Density: 2.694164745544914
  • Atomic Density: 0.07911960644678569
  • Unit Cell Volume: 821.5409924178242
  • Molar Volume: 7.611439225308047
  • Full Formula: Co2 H36 Pt3 N12 Cl12
  • Reduced Formula: Co2H36Pt3(NCl)12
  • Formula Anonymous: A2B3C12D12E36
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -316.81191913
  • Final energy per atom: -4.8740295250769226
  • 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.