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  1. Third-Parties
  2. MatprojStructure
  3. mp-5599

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-5599
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 76
  • Number of elements: 3
  • Element list: ['U', 'Re', 'Si']
  • Chemical System: Re-Si-U
  • Density: 12.195806243400023
  • Atomic Density: 0.05878190082435139
  • Unit Cell Volume: 1292.9149778109204
  • Molar Volume: 10.244889456696894
  • Full Formula: U20 Re20 Si36
  • Reduced Formula: U5Re5Si9
  • Formula Anonymous: A5B5C9
  • Spacegroup Number: 176
  • Spacegroup Symbol: P6_3/m
  • Crystal System: hexagonal
  • Pointgroup: 6/m

Thermodynamics:

  • Final energy: -697.3672795799998
  • Final energy per atom: -9.175885257631577
  • 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.