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  1. Third-Parties
  2. MatprojStructure
  3. mp-1215712

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-1215712
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Zr', 'Cr', 'Fe']
  • Chemical System: Cr-Fe-Zr
  • Density: 7.579556964672777
  • Atomic Density: 0.06813064503423955
  • Unit Cell Volume: 176.1321941685612
  • Molar Volume: 8.839107213756055
  • Full Formula: Zr4 Cr2 Fe6
  • Reduced Formula: Zr2CrFe3
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 38
  • Spacegroup Symbol: Amm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -106.61645363
  • Final energy per atom: -8.884704469166666
  • 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.