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  1. Third-Parties
  2. MatprojStructure
  3. mp-1198665

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-1198665
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 5
  • Element list: ['Pb', 'C', 'S', 'N', 'Cl']
  • Chemical System: C-Cl-N-Pb-S
  • Density: 2.0031643010410485
  • Atomic Density: 0.03142355581736078
  • Unit Cell Volume: 1400.2234583423888
  • Molar Volume: 19.164415367254232
  • Full Formula: Pb4 C8 S8 N16 Cl8
  • Reduced Formula: PbC2S2(N2Cl)2
  • Formula Anonymous: AB2C2D2E4
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -259.40746196
  • Final energy per atom: -5.895624135454545
  • 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.