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  1. Third-Parties
  2. MatprojStructure
  3. mp-1226647

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-1226647
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 42
  • Number of elements: 5
  • Element list: ['Cr', 'Si', 'Pb', 'Cl', 'O']
  • Chemical System: Cl-Cr-O-Pb-Si
  • Density: 6.648374309262048
  • Atomic Density: 0.06076941957158152
  • Unit Cell Volume: 691.1370932303764
  • Molar Volume: 9.909821094977548
  • Full Formula: Cr3 Si3 Pb10 Cl2 O24
  • Reduced Formula: Cr3Si3Pb10(ClO12)2
  • Formula Anonymous: A2B3C3D10E24
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -288.61823255
  • Final energy per atom: -6.871862679761906
  • 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.