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  1. Third-Parties
  2. MatprojStructure
  3. mp-1226245

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-1226245
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 8
  • Number of elements: 3
  • Element list: ['Cr', 'Fe', 'P']
  • Chemical System: Cr-Fe-P
  • Density: 5.9099233931257045
  • Atomic Density: 0.08384634901457023
  • Unit Cell Volume: 95.41262194505113
  • Molar Volume: 7.182352995422037
  • Full Formula: Cr2 Fe2 P4
  • Reduced Formula: CrFeP2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 26
  • Spacegroup Symbol: Pmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -62.32485518
  • Final energy per atom: -7.7906068975
  • 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.