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  1. Third-Parties
  2. MatprojStructure
  3. mp-768654

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-768654
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 90
  • Number of elements: 3
  • Element list: ['Cr', 'Ni', 'Mo']
  • Chemical System: Cr-Mo-Ni
  • Density: 8.71569515471036
  • Atomic Density: 0.08624901066400925
  • Unit Cell Volume: 1043.490230289169
  • Molar Volume: 6.9822722760957685
  • Full Formula: Cr21 Ni60 Mo9
  • Reduced Formula: Cr7Ni20Mo3
  • Formula Anonymous: A3B7C20
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -649.53056208
  • Final energy per atom: -7.217006245333333
  • 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.