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  1. Third-Parties
  2. MatprojStructure
  3. mp-669684

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-669684
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 2
  • Element list: ['U', 'Se']
  • Chemical System: Se-U
  • Density: 9.565735130783924
  • Atomic Density: 0.041559666567830805
  • Unit Cell Volume: 769.9773035419286
  • Molar Volume: 14.490349074796063
  • Full Formula: U12 Se20
  • Reduced Formula: U3Se5
  • Formula Anonymous: A3B5
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -251.93504569
  • Final energy per atom: -7.8729701778125
  • 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.