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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228285

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-1228285
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 5
  • Element list: ['Ba', 'Y', 'Cu', 'W', 'O']
  • Chemical System: Ba-Cu-O-W-Y
  • Density: 6.526395449221529
  • Atomic Density: 0.06408187543054242
  • Unit Cell Volume: 624.2014568277659
  • Molar Volume: 9.397572589034674
  • Full Formula: Ba8 Y4 Cu1 W3 O24
  • Reduced Formula: Ba8Y4Cu(WO8)3
  • Formula Anonymous: AB3C4D8E24
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -325.03307523
  • Final energy per atom: -8.125826880750001
  • 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.