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  1. Third-Parties
  2. MatprojStructure
  3. mp-1080104

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-1080104
  • 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: 10
  • Number of elements: 3
  • Element list: ['Pr', 'B', 'Ir']
  • Chemical System: B-Ir-Pr
  • Density: 11.846116999967872
  • Atomic Density: 0.06521364267798113
  • Unit Cell Volume: 153.3421472770516
  • Molar Volume: 9.234479953430556
  • Full Formula: Pr2 B4 Ir4
  • Reduced Formula: Pr(BIr)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 70
  • Spacegroup Symbol: Fddd1
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -78.87359596
  • Final energy per atom: -7.8873595960000005
  • 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.