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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196439

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-1196439
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 208
  • Number of elements: 7
  • Element list: ['Sn', 'P', 'H', 'C', 'N', 'Cl', 'O']
  • Chemical System: C-Cl-H-N-O-P-Sn
  • Density: 1.3654621536703402
  • Atomic Density: 0.07612659689243471
  • Unit Cell Volume: 2732.290795737259
  • Molar Volume: 7.910692196722203
  • Full Formula: Sn8 P4 H128 C44 N12 Cl8 O4
  • Reduced Formula: Sn2PH32C11N3Cl2O
  • Formula Anonymous: ABC2D2E3F11G32
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -1079.50377036
  • Final energy per atom: -5.1899219728846155
  • 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.