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  1. Third-Parties
  2. MatprojStructure
  3. mp-1201527

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-1201527
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 45
  • Number of elements: 6
  • Element list: ['Cu', 'Si', 'Pb', 'C', 'Cl', 'O']
  • Chemical System: C-Cl-Cu-O-Pb-Si
  • Density: 4.647952959938535
  • Atomic Density: 0.07294270135381041
  • Unit Cell Volume: 616.9225866989265
  • Molar Volume: 8.255988122498309
  • Full Formula: Cu4 Si4 Pb4 C4 Cl1 O28
  • Reduced Formula: Cu4Si4Pb4C4ClO28
  • Formula Anonymous: AB4C4D4E4F28
  • Spacegroup Number: 87
  • Spacegroup Symbol: I4/m
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -310.80821100000003
  • Final energy per atom: -6.906849133333334
  • 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.