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  1. Third-Parties
  2. MatprojStructure
  3. mp-1215681

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-1215681
  • 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: 4
  • Number of elements: 3
  • Element list: ['Y', 'U', 'As']
  • Chemical System: As-U-Y
  • Density: 8.054244465102633
  • Atomic Density: 0.040692983292315646
  • Unit Cell Volume: 98.29704475747664
  • Molar Volume: 14.79896599553861
  • Full Formula: Y1 U1 As2
  • Reduced Formula: YUAs2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -31.6127929
  • Final energy per atom: -7.903198225
  • 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.