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  1. Third-Parties
  2. MatprojStructure
  3. mp-684698

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-684698
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 39
  • Number of elements: 6
  • Element list: ['Sn', 'As', 'H', 'C', 'Cl', 'O']
  • Chemical System: As-C-Cl-H-O-Sn
  • Density: 2.0634503187496387
  • Atomic Density: 0.07711911372007649
  • Unit Cell Volume: 505.7112059347629
  • Molar Volume: 7.8088822206371535
  • Full Formula: Sn2 As2 H22 C7 Cl2 O4
  • Reduced Formula: Sn2As2H22C7(ClO2)2
  • Formula Anonymous: A2B2C2D4E7F22
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -181.24484047
  • Final energy per atom: -4.647303601794873
  • 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.