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  1. Third-Parties
  2. MatprojStructure
  3. mp-767825

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-767825
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 75
  • Number of elements: 3
  • Element list: ['Cr', 'Ni', 'Mo']
  • Chemical System: Cr-Mo-Ni
  • Density: 8.655765260186092
  • Atomic Density: 0.08953517771048151
  • Unit Cell Volume: 837.6595871906117
  • Molar Volume: 6.7260052573671425
  • Full Formula: Cr22 Ni50 Mo3
  • Reduced Formula: Cr22Ni50Mo3
  • Formula Anonymous: A3B22C50
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -535.6347609
  • Final energy per atom: -7.141796811999999
  • 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.