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  1. Third-Parties
  2. MatprojStructure
  3. mp-1197282

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-1197282
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 336
  • Number of elements: 6
  • Element list: ['Cu', 'Sn', 'H', 'C', 'N', 'Cl']
  • Chemical System: C-Cl-Cu-H-N-Sn
  • Density: 1.84592136413982
  • Atomic Density: 0.07724237312902389
  • Unit Cell Volume: 4349.944031869053
  • Molar Volume: 7.796421207749216
  • Full Formula: Cu8 Sn24 H216 C72 N8 Cl8
  • Reduced Formula: CuSn3H27C9NCl
  • Formula Anonymous: ABCD3E9F27
  • Spacegroup Number: 198
  • Spacegroup Symbol: P2_13
  • Crystal System: cubic
  • Pointgroup: 23

Thermodynamics:

  • Final energy: -1653.225451
  • Final energy per atom: -4.920313842261905
  • 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.