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  1. Third-Parties
  2. MatprojStructure
  3. mp-1203896

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-1203896
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 71
  • Number of elements: 4
  • Element list: ['Sn', 'H', 'Cl', 'O']
  • Chemical System: Cl-H-O-Sn
  • Density: 4.147257056899027
  • Atomic Density: 0.05224268186844735
  • Unit Cell Volume: 1359.0420219770797
  • Molar Volume: 11.527242753663362
  • Full Formula: Sn21 H14 Cl16 O20
  • Reduced Formula: Sn21H14(Cl4O5)4
  • Formula Anonymous: A14B16C20D21
  • Spacegroup Number: 155
  • Spacegroup Symbol: R32H
  • Crystal System: trigonal
  • Pointgroup: 32

Thermodynamics:

  • Final energy: -363.43639795
  • Final energy per atom: -5.118822506338028
  • 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.