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  1. Third-Parties
  2. MatprojStructure
  3. mp-1205425

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-1205425
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 39
  • Number of elements: 5
  • Element list: ['Ba', 'Ca', 'Y', 'U', 'O']
  • Chemical System: Ba-Ca-O-U-Y
  • Density: 6.494274457239171
  • Atomic Density: 0.057500715210909034
  • Unit Cell Volume: 678.2524331558387
  • Molar Volume: 10.47315800840244
  • Full Formula: Ba8 Ca1 Y2 U4 O24
  • Reduced Formula: Ba8CaY2U4O24
  • Formula Anonymous: AB2C4D8E24
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -333.52975225999995
  • Final energy per atom: -8.55204492974359
  • 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.