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  1. Third-Parties
  2. MatprojStructure
  3. mp-643735

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-643735
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 34
  • Number of elements: 4
  • Element list: ['H', 'Pd', 'N', 'Cl']
  • Chemical System: Cl-H-N-Pd
  • Density: 2.4319604963822172
  • Atomic Density: 0.07009146559203783
  • Unit Cell Volume: 485.08045470035506
  • Molar Volume: 8.591831700383358
  • Full Formula: H16 Pd2 N4 Cl12
  • Reduced Formula: H8Pd(NCl3)2
  • Formula Anonymous: AB2C6D8
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -148.18185296
  • Final energy per atom: -4.358289792941176
  • 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.