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  1. Third-Parties
  2. MatprojStructure
  3. mp-1192921

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-1192921
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 30
  • Number of elements: 6
  • Element list: ['Sn', 'H', 'C', 'Se', 'Cl', 'O']
  • Chemical System: C-Cl-H-O-Se-Sn
  • Density: 2.527009710963037
  • Atomic Density: 0.07311705750446085
  • Unit Cell Volume: 410.3009752296133
  • Molar Volume: 8.23630075599335
  • Full Formula: Sn2 H14 C4 Se2 Cl2 O6
  • Reduced Formula: SnH7C2SeClO3
  • Formula Anonymous: ABCD2E3F7
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -153.04770144
  • Final energy per atom: -5.101590048
  • 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.