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  1. Third-Parties
  2. MatprojStructure
  3. mp-1200116

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-1200116
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 46
  • Number of elements: 3
  • Element list: ['Pr', 'Al', 'Cr']
  • Chemical System: Al-Cr-Pr
  • Density: 3.400863953252601
  • Atomic Density: 0.0600424075098781
  • Unit Cell Volume: 766.1251756507622
  • Molar Volume: 10.029812277279598
  • Full Formula: Pr2 Al40 Cr4
  • Reduced Formula: Pr(Al10Cr)2
  • Formula Anonymous: AB2C20
  • Spacegroup Number: 227
  • Spacegroup Symbol: Fd-3m1
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -204.58293352000004
  • Final energy per atom: -4.44745507652174
  • 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.