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  1. Third-Parties
  2. MatprojStructure
  3. mp-721610

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-721610
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 90
  • Number of elements: 5
  • Element list: ['Cd', 'Ni', 'H', 'Cl', 'O']
  • Chemical System: Cd-Cl-H-Ni-O
  • Density: 2.220836614457805
  • Atomic Density: 0.09136774693673305
  • Unit Cell Volume: 985.0303090249107
  • Molar Volume: 6.591101304238123
  • Full Formula: Cd2 Ni4 H48 Cl12 O24
  • Reduced Formula: CdNi2H24(ClO2)6
  • Formula Anonymous: AB2C6D12E24
  • Spacegroup Number: 143
  • Spacegroup Symbol: P3
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -442.00521589
  • Final energy per atom: -4.911169065444445
  • 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.