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  1. Third-Parties
  2. MatprojStructure
  3. mp-1199936

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-1199936
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 68
  • Number of elements: 5
  • Element list: ['Cd', 'H', 'C', 'S', 'N']
  • Chemical System: C-Cd-H-N-S
  • Density: 2.1799552385402547
  • Atomic Density: 0.05431572100545492
  • Unit Cell Volume: 1251.9395626391624
  • Molar Volume: 11.087288631214518
  • Full Formula: Cd4 H8 C16 S24 N16
  • Reduced Formula: CdH2C4(S3N2)2
  • Formula Anonymous: AB2C4D4E6
  • Spacegroup Number: 60
  • Spacegroup Symbol: Pbcn
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -422.09149450000007
  • Final energy per atom: -6.207227860294118
  • 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.