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  1. Third-Parties
  2. MatprojStructure
  3. mp-603576

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-603576
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 3
  • Element list: ['Sc', 'In', 'Ni']
  • Chemical System: In-Ni-Sc
  • Density: 4.933353254041267
  • Atomic Density: 0.040777038046192614
  • Unit Cell Volume: 539.519323965566
  • Molar Volume: 14.768460507548543
  • Full Formula: Sc10 In8 Ni4
  • Reduced Formula: Sc5(In2Ni)2
  • Formula Anonymous: A2B4C5
  • Spacegroup Number: 55
  • Spacegroup Symbol: Pbam
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -116.37054428
  • Final energy per atom: -5.289570194545455
  • 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.