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  1. Third-Parties
  2. MatprojStructure
  3. mp-1018770

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-1018770
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Li', 'Pr', 'Bi']
  • Chemical System: Bi-Li-Pr
  • Density: 6.612016942521922
  • Atomic Density: 0.04121347321834635
  • Unit Cell Volume: 145.5834592782895
  • Molar Volume: 14.61206806835979
  • Full Formula: Li3 Pr1 Bi2
  • Reduced Formula: Li3PrBi2
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -22.44545883
  • Final energy per atom: -3.740909805
  • 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.