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  1. Third-Parties
  2. MatprojStructure
  3. mp-1204167

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-1204167
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 50
  • Number of elements: 4
  • Element list: ['Ce', 'H', 'Cl', 'O']
  • Chemical System: Ce-Cl-H-O
  • Density: 2.174798534621168
  • Atomic Density: 0.08787960979549592
  • Unit Cell Volume: 568.9601958446866
  • Molar Volume: 6.85271677242774
  • Full Formula: Ce2 H28 Cl6 O14
  • Reduced Formula: CeH14Cl3O7
  • Formula Anonymous: AB3C7D14
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -262.02811823
  • Final energy per atom: -5.240562364600001
  • 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.