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  1. Third-Parties
  2. MatprojStructure
  3. mp-1212169

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-1212169
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 54
  • Number of elements: 6
  • Element list: ['K', 'Cd', 'H', 'C', 'N', 'O']
  • Chemical System: C-Cd-H-K-N-O
  • Density: 2.1613063159038335
  • Atomic Density: 0.07018023510461704
  • Unit Cell Volume: 769.44740808438
  • Molar Volume: 8.580964072039441
  • Full Formula: K4 Cd2 H4 C16 N12 O16
  • Reduced Formula: K2CdH2C8(N3O4)2
  • Formula Anonymous: AB2C2D6E8F8
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -400.76300347
  • Final energy per atom: -7.4215371012962965
  • 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.