Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-734875

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-734875
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 34
  • Number of elements: 5
  • Element list: ['H', 'Pb', 'C', 'Cl', 'O']
  • Chemical System: C-Cl-H-O-Pb
  • Density: 5.546320394723845
  • Atomic Density: 0.05071825665261506
  • Unit Cell Volume: 670.37004510775
  • Molar Volume: 11.873714038018882
  • Full Formula: H4 Pb8 C2 Cl12 O8
  • Reduced Formula: H2Pb4C(Cl3O2)2
  • Formula Anonymous: AB2C4D4E6
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -177.03959840000002
  • Final energy per atom: -5.207047011764707
  • 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.