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  1. Third-Parties
  2. MatprojStructure
  3. mp-27350

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-27350
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 84
  • Number of elements: 3
  • Element list: ['U', 'B', 'H']
  • Chemical System: B-H-U
  • Density: 2.7025077094351255
  • Atomic Density: 0.11492016679000211
  • Unit Cell Volume: 730.942204021478
  • Molar Volume: 5.2402819524309265
  • Full Formula: U4 B16 H64
  • Reduced Formula: U(BH4)4
  • Formula Anonymous: AB4C16
  • Spacegroup Number: 96
  • Spacegroup Symbol: P4_32_12
  • Crystal System: tetragonal
  • Pointgroup: 422

Thermodynamics:

  • Final energy: -391.93571189
  • Final energy per atom: -4.665901332023809
  • 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.