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  1. Third-Parties
  2. MatprojStructure
  3. mp-1218869

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-1218869
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 6
  • Element list: ['Sr', 'Cu', 'Ru', 'Pb', 'Cl', 'O']
  • Chemical System: Cl-Cu-O-Pb-Ru-Sr
  • Density: 6.88577769975364
  • Atomic Density: 0.06761516696037867
  • Unit Cell Volume: 236.63329870021215
  • Molar Volume: 8.906493957973765
  • Full Formula: Sr2 Cu2 Ru1 Pb2 Cl1 O8
  • Reduced Formula: Sr2Cu2RuPb2ClO8
  • Formula Anonymous: ABC2D2E2F8
  • Spacegroup Number: 38
  • Spacegroup Symbol: Amm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -98.24763686
  • Final energy per atom: -6.14047730375
  • 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.