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  1. Third-Parties
  2. MatprojStructure
  3. mp-774710

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-774710
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 83
  • Number of elements: 4
  • Element list: ['Ba', 'Y', 'Cu', 'O']
  • Chemical System: Ba-Cu-O-Y
  • Density: 5.849866132352313
  • Atomic Density: 0.06515385213866343
  • Unit Cell Volume: 1273.907793254581
  • Molar Volume: 9.242954272578391
  • Full Formula: Ba14 Y7 Cu20 O42
  • Reduced Formula: Ba14Y7(Cu10O21)2
  • Formula Anonymous: A7B14C20D42
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -548.62711062
  • Final energy per atom: -6.6099651881927715
  • 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.