Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-643378

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-643378
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 13
  • Number of elements: 5
  • Element list: ['Cu', 'H', 'Pb', 'Cl', 'O']
  • Chemical System: Cl-Cu-H-O-Pb
  • Density: 5.173362246521188
  • Atomic Density: 0.06565465093696925
  • Unit Cell Volume: 198.00577437355432
  • Molar Volume: 9.172451112079576
  • Full Formula: Cu1 H4 Pb2 Cl2 O4
  • Reduced Formula: CuH4Pb2(ClO2)2
  • Formula Anonymous: AB2C2D4E4
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -65.83120698
  • Final energy per atom: -5.063938998461539
  • 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.