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  1. Third-Parties
  2. MatprojStructure
  3. mp-541940

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-541940
  • 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: 29
  • Number of elements: 3
  • Element list: ['Cr', 'Si', 'Ni']
  • Chemical System: Cr-Ni-Si
  • Density: 7.121917568416598
  • Atomic Density: 0.08591646868952858
  • Unit Cell Volume: 337.5371502382813
  • Molar Volume: 7.0092973464282675
  • Full Formula: Cr6 Si7 Ni16
  • Reduced Formula: Cr6Si7Ni16
  • Formula Anonymous: A6B7C16
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -197.66517665
  • Final energy per atom: -6.816040574137931
  • 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.