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  1. Third-Parties
  2. MatprojStructure
  3. mp-1214627

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-1214627
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 6
  • Element list: ['Ba', 'Sr', 'Y', 'Cu', 'Pt', 'O']
  • Chemical System: Ba-Cu-O-Pt-Sr-Y
  • Density: 6.49439696389447
  • Atomic Density: 0.06886565741480198
  • Unit Cell Volume: 261.37846752234856
  • Molar Volume: 8.744766239181507
  • Full Formula: Ba2 Sr1 Y2 Cu2 Pt1 O10
  • Reduced Formula: Ba2SrY2Cu2PtO10
  • Formula Anonymous: ABC2D2E2F10
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -127.91366368
  • Final energy per atom: -7.106314648888889
  • 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.