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  1. Third-Parties
  2. MatprojStructure
  3. mp-1198960

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-1198960
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 76
  • Number of elements: 5
  • Element list: ['Cd', 'H', 'S', 'N', 'O']
  • Chemical System: Cd-H-N-O-S
  • Density: 3.0949558725105097
  • Atomic Density: 0.09681644353930217
  • Unit Cell Volume: 784.9906195856922
  • Molar Volume: 6.220163166348225
  • Full Formula: Cd6 H28 S6 N4 O32
  • Reduced Formula: Cd3H14S3(NO8)2
  • Formula Anonymous: A2B3C3D14E16
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -422.32351796
  • Final energy per atom: -5.556888394210526
  • 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.