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  1. Third-Parties
  2. MatprojStructure
  3. mp-1213951

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-1213951
  • 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: 38
  • Number of elements: 5
  • Element list: ['Cd', 'H', 'C', 'S', 'N']
  • Chemical System: C-Cd-H-N-S
  • Density: 2.12551279481014
  • Atomic Density: 0.06454665579640569
  • Unit Cell Volume: 588.7214377125956
  • Molar Volume: 9.329903595617955
  • Full Formula: Cd2 H8 C8 S8 N12
  • Reduced Formula: CdH4C4(S2N3)2
  • Formula Anonymous: AB4C4D4E6
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -243.13382101
  • Final energy per atom: -6.398258447631579
  • 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.