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  1. Third-Parties
  2. MatprojStructure
  3. mp-22595

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-22595
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['U', 'As', 'Se']
  • Chemical System: As-Se-U
  • Density: 9.789955101909376
  • Atomic Density: 0.04513006375727395
  • Unit Cell Volume: 132.9490698765728
  • Molar Volume: 13.343966878463288
  • Full Formula: U2 As2 Se2
  • Reduced Formula: UAsSe
  • Formula Anonymous: ABC
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -45.645493290000005
  • Final energy per atom: -7.607582215000001
  • 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.