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  1. Third-Parties
  2. MatprojStructure
  3. mp-1173221

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-1173221
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 26
  • Number of elements: 6
  • Element list: ['Sr', 'Ca', 'Tl', 'Cu', 'Pb', 'O']
  • Chemical System: Ca-Cu-O-Pb-Sr-Tl
  • Density: 6.194266073733895
  • Atomic Density: 0.07345312357379115
  • Unit Cell Volume: 353.9672478853857
  • Molar Volume: 8.198617658444636
  • Full Formula: Sr4 Ca2 Tl1 Cu4 Pb1 O14
  • Reduced Formula: Sr4Ca2TlCu4PbO14
  • Formula Anonymous: ABC2D4E4F14
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -156.50991057
  • Final energy per atom: -6.019611944999999
  • 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.