Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-605078

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-605078
  • 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: 128
  • Number of elements: 5
  • Element list: ['Sn', 'H', 'C', 'Cl', 'O']
  • Chemical System: C-Cl-H-O-Sn
  • Density: 1.6025068322923879
  • Atomic Density: 0.07757210988308386
  • Unit Cell Volume: 1650.0775883615995
  • Molar Volume: 7.763280860964758
  • Full Formula: Sn8 H84 C24 Cl4 O8
  • Reduced Formula: Sn2H21C6ClO2
  • Formula Anonymous: AB2C2D6E21
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -609.76444398
  • Final energy per atom: -4.76378471859375
  • 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.