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  1. Third-Parties
  2. MatprojStructure
  3. mp-1180029

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-1180029
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 35
  • Number of elements: 6
  • Element list: ['Pb', 'C', 'S', 'N', 'Cl', 'O']
  • Chemical System: C-Cl-N-O-Pb-S
  • Density: 1.8591722037015626
  • Atomic Density: 0.04672670602750061
  • Unit Cell Volume: 749.0363215288713
  • Molar Volume: 12.888006178855662
  • Full Formula: Pb1 C6 S6 N12 Cl2 O8
  • Reduced Formula: PbC6S6N12(ClO4)2
  • Formula Anonymous: AB2C6D6E8F12
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -210.64208769
  • Final energy per atom: -6.018345362571429
  • 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.