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  1. Third-Parties
  2. MatprojStructure
  3. mp-735142

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-735142
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 5
  • Element list: ['Cr', 'Hg', 'N', 'Cl', 'O']
  • Chemical System: Cl-Cr-Hg-N-O
  • Density: 2.6359657243090155
  • Atomic Density: 0.043111409078171924
  • Unit Cell Volume: 1298.9600942631635
  • Molar Volume: 13.968786659420784
  • Full Formula: Cr8 Hg4 N8 Cl8 O28
  • Reduced Formula: Cr2HgN2Cl2O7
  • Formula Anonymous: AB2C2D2E7
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -306.5277034
  • Final energy per atom: -5.473708989285714
  • 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.