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  1. Third-Parties
  2. MatprojStructure
  3. mp-1097840

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-1097840
  • 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: 48
  • Number of elements: 5
  • Element list: ['H', 'Ru', 'C', 'I', 'N']
  • Chemical System: C-H-I-N-Ru
  • Density: 4.269768599272753
  • Atomic Density: 0.06004839954582204
  • Unit Cell Volume: 799.3551928619165
  • Molar Volume: 10.028811434690436
  • Full Formula: H24 Ru4 C4 I12 N4
  • Reduced Formula: H6RuCI3N
  • Formula Anonymous: ABCD3E6
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -217.66841134
  • Final energy per atom: -4.5347585695833335
  • 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.