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  1. Third-Parties
  2. MatprojStructure
  3. mp-720082

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-720082
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 50
  • Number of elements: 6
  • Element list: ['K', 'Cd', 'H', 'C', 'Cl', 'O']
  • Chemical System: C-Cd-Cl-H-K-O
  • Density: 3.190451732743901
  • Atomic Density: 0.07315682100761514
  • Unit Cell Volume: 683.4632685145699
  • Molar Volume: 8.231824014568833
  • Full Formula: K1 Cd6 H4 C12 Cl1 O26
  • Reduced Formula: KCd6H4C12ClO26
  • Formula Anonymous: ABC4D6E12F26
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -329.12447379
  • Final energy per atom: -6.5824894758
  • 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.