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  1. Third-Parties
  2. MatprojStructure
  3. mp-662590

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-662590
  • 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: 78
  • Number of elements: 3
  • Element list: ['U', 'B', 'Mo']
  • Chemical System: B-Mo-U
  • Density: 9.792722738414788
  • Atomic Density: 0.0954730125891786
  • Unit Cell Volume: 816.9847989990096
  • Molar Volume: 6.307689049169671
  • Full Formula: U10 B48 Mo20
  • Reduced Formula: U5(B12Mo5)2
  • Formula Anonymous: A5B10C24
  • Spacegroup Number: 59
  • Spacegroup Symbol: Pmmn1
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -693.86763164
  • Final energy per atom: -8.895738867179487
  • 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.