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  1. Third-Parties
  2. MatprojStructure
  3. mp-1179748

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-1179748
  • 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: 16
  • Number of elements: 6
  • Element list: ['Rb', 'Hg', 'C', 'N', 'Cl', 'O']
  • Chemical System: C-Cl-Hg-N-O-Rb
  • Density: 2.6499640175246237
  • Atomic Density: 0.0327735308177146
  • Unit Cell Volume: 488.19884830204967
  • Molar Volume: 18.375013645905188
  • Full Formula: Rb2 Hg2 C4 N4 Cl2 O2
  • Reduced Formula: RbHgC2N2ClO
  • Formula Anonymous: ABCDE2F2
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -85.92617597
  • Final energy per atom: -5.370385998125
  • 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.