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  1. Third-Parties
  2. MatprojStructure
  3. mp-771746

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-771746
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 120
  • Number of elements: 3
  • Element list: ['Cr', 'Ni', 'Mo']
  • Chemical System: Cr-Mo-Ni
  • Density: 9.167855548456728
  • Atomic Density: 0.08756206551497933
  • Unit Cell Volume: 1370.4564790042725
  • Molar Volume: 6.877568185014761
  • Full Formula: Cr22 Ni80 Mo18
  • Reduced Formula: Cr11Ni40Mo9
  • Formula Anonymous: A9B11C40
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -873.90557153
  • Final energy per atom: -7.282546429416667
  • 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.