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  1. Third-Parties
  2. MatprojStructure
  3. mp-1190418

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-1190418
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 3
  • Element list: ['Ba', 'U', 'Se']
  • Chemical System: Ba-Se-U
  • Density: 5.577075166799117
  • Atomic Density: 0.029295547845477218
  • Unit Cell Volume: 750.9673523103771
  • Molar Volume: 20.55650500808001
  • Full Formula: Ba8 U2 Se12
  • Reduced Formula: Ba4USe6
  • Formula Anonymous: AB4C6
  • Spacegroup Number: 167
  • Spacegroup Symbol: R-3cH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -125.62072747
  • Final energy per atom: -5.710033066818182
  • 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.