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  1. Third-Parties
  2. MatprojStructure
  3. mp-1183239

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-1183239
  • 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: 2
  • Element list: ['Ac', 'Pr']
  • Chemical System: Ac-Pr
  • Density: 7.0711929605737
  • Atomic Density: 0.026216540058750872
  • Unit Cell Volume: 152.57543486043772
  • Molar Volume: 22.970768631194172
  • Full Formula: Ac1 Pr3
  • Reduced Formula: AcPr3
  • Formula Anonymous: AB3
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -18.34051011
  • Final energy per atom: -4.5851275275
  • 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.