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  1. Third-Parties
  2. MatprojStructure
  3. mp-1356115

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-1356115
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 37
  • Number of elements: 5
  • Element list: ['Ba', 'Y', 'Tl', 'Cu', 'O']
  • Chemical System: Ba-Cu-O-Tl-Y
  • Density: 6.642285430551717
  • Atomic Density: 0.06597607171325864
  • Unit Cell Volume: 560.8093819348209
  • Molar Volume: 9.127764966324575
  • Full Formula: Ba6 Y1 Tl3 Cu6 O21
  • Reduced Formula: Ba6YTl3(Cu2O7)3
  • Formula Anonymous: AB3C6D6E21
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -218.28881469
  • Final energy per atom: -5.899697694324325
  • 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.