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  1. Third-Parties
  2. MatprojStructure
  3. mp-1218785

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-1218785
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 52
  • Number of elements: 7
  • Element list: ['Sr', 'Ca', 'Nd', 'Tl', 'Cu', 'Pb', 'O']
  • Chemical System: Ca-Cu-Nd-O-Pb-Sr-Tl
  • Density: 6.40082901493947
  • Atomic Density: 0.07302228739670898
  • Unit Cell Volume: 712.1113546813322
  • Molar Volume: 8.2469900282409
  • Full Formula: Sr8 Ca3 Nd1 Tl2 Cu8 Pb2 O28
  • Reduced Formula: Sr8Ca3NdTl2Cu8(PbO14)2
  • Formula Anonymous: AB2C2D3E8F8G28
  • Spacegroup Number: 69
  • Spacegroup Symbol: Fmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -318.17978979
  • Final energy per atom: -6.1188421113461535
  • 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.