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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227788

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-1227788
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 8
  • Number of elements: 3
  • Element list: ['Ca', 'Tl', 'Pb']
  • Chemical System: Ca-Pb-Tl
  • Density: 9.193875699489531
  • Atomic Density: 0.03368564312406113
  • Unit Cell Volume: 237.48989949625528
  • Molar Volume: 17.87747004805878
  • Full Formula: Ca2 Tl3 Pb3
  • Reduced Formula: Ca2(TlPb)3
  • Formula Anonymous: A2B3C3
  • Spacegroup Number: 47
  • Spacegroup Symbol: Pmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -24.56378306
  • Final energy per atom: -3.0704728825
  • 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.