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  1. Third-Parties
  2. MatprojStructure
  3. mp-1191020

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-1191020
  • 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: 23
  • Number of elements: 5
  • Element list: ['Ce', 'C', 'N', 'Cl', 'O']
  • Chemical System: C-Ce-Cl-N-O
  • Density: 2.2532047484155533
  • Atomic Density: 0.05888075539230578
  • Unit Cell Volume: 390.61998859826986
  • Molar Volume: 10.227689369601636
  • Full Formula: Ce1 C8 N4 Cl4 O6
  • Reduced Formula: CeC8N4(Cl2O3)2
  • Formula Anonymous: AB4C4D6E8
  • Spacegroup Number: 119
  • Spacegroup Symbol: I-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -135.09127238
  • Final energy per atom: -5.87353358173913
  • 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.