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  1. Third-Parties
  2. MatprojStructure
  3. mp-707273

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-707273
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 42
  • Number of elements: 3
  • Element list: ['U', 'B', 'H']
  • Chemical System: B-H-U
  • Density: 2.6485889891566914
  • Atomic Density: 0.11262735248798618
  • Unit Cell Volume: 372.91118961959165
  • Molar Volume: 5.346961130638648
  • Full Formula: U2 B8 H32
  • Reduced Formula: U(BH4)4
  • Formula Anonymous: AB4C16
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -195.73946645
  • Final energy per atom: -4.660463486904762
  • 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.