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  1. Third-Parties
  2. MatprojStructure
  3. mp-1217681

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-1217681
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 3
  • Number of elements: 2
  • Element list: ['Tb', 'Pr']
  • Chemical System: Pr-Tb
  • Density: 7.565935218143694
  • Atomic Density: 0.02979550794908579
  • Unit Cell Volume: 100.68631839156306
  • Molar Volume: 20.211572732005653
  • Full Formula: Tb2 Pr1
  • Reduced Formula: Tb2Pr
  • Formula Anonymous: AB2
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m

Thermodynamics:

  • Final energy: -13.99827856
  • Final energy per atom: -4.666092853333333
  • 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.