Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1203168

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-1203168
  • 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: 84
  • Number of elements: 5
  • Element list: ['Sn', 'H', 'C', 'Cl', 'O']
  • Chemical System: C-Cl-H-O-Sn
  • Density: 2.0043552639893303
  • Atomic Density: 0.06593102166067953
  • Unit Cell Volume: 1274.0588251811755
  • Molar Volume: 9.134001883049134
  • Full Formula: Sn8 H48 C16 Cl8 O4
  • Reduced Formula: Sn2H12C4Cl2O
  • Formula Anonymous: AB2C2D4E12
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -414.54471702
  • Final energy per atom: -4.935056155
  • 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.