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  1. Third-Parties
  2. MatprojStructure
  3. mp-568295

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-568295
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 3
  • Element list: ['Pr', 'B', 'Cl']
  • Chemical System: B-Cl-Pr
  • Density: 5.208221413645192
  • Atomic Density: 0.04755135825803066
  • Unit Cell Volume: 925.3153140492913
  • Molar Volume: 12.664497883155539
  • Full Formula: Pr16 B14 Cl14
  • Reduced Formula: Pr8(BCl)7
  • Formula Anonymous: A7B7C8
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -258.21931792
  • Final energy per atom: -5.868620861818181
  • 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.