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  1. Third-Parties
  2. MatprojStructure
  3. mp-707284

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-707284
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 78
  • Number of elements: 5
  • Element list: ['H', 'Pd', 'C', 'N', 'Cl']
  • Chemical System: C-Cl-H-N-Pd
  • Density: 1.4083708832294868
  • Atomic Density: 0.08341914635283763
  • Unit Cell Volume: 935.0371396763485
  • Molar Volume: 7.21913496276763
  • Full Formula: H48 Pd2 C16 N4 Cl8
  • Reduced Formula: H24PdC8(NCl2)2
  • Formula Anonymous: AB2C4D8E24
  • Spacegroup Number: 136
  • Spacegroup Symbol: P4_2/mnm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -395.37165998
  • Final energy per atom: -5.0688674356410255
  • 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.