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  1. Third-Parties
  2. MatprojStructure
  3. mp-1198870

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-1198870
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 128
  • Number of elements: 6
  • Element list: ['Cd', 'H', 'C', 'S', 'N', 'O']
  • Chemical System: C-Cd-H-N-O-S
  • Density: 2.502301497400119
  • Atomic Density: 0.07615682960027582
  • Unit Cell Volume: 1680.7422350934683
  • Molar Volume: 7.907551813288967
  • Full Formula: Cd8 H32 C8 S16 N16 O48
  • Reduced Formula: CdH4CS2(NO3)2
  • Formula Anonymous: ABC2D2E4F6
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -688.41982779
  • Final energy per atom: -5.378279904609375
  • 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.