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  1. Third-Parties
  2. MatprojStructure
  3. mp-504815

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-504815
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 38
  • Number of elements: 3
  • Element list: ['Re', 'Ni', 'As']
  • Chemical System: As-Ni-Re
  • Density: 9.996930569848944
  • Atomic Density: 0.0587351321284912
  • Unit Cell Volume: 646.9722400022828
  • Molar Volume: 10.253047097648025
  • Full Formula: Re10 Ni4 As24
  • Reduced Formula: Re5(NiAs6)2
  • Formula Anonymous: A2B5C12
  • Spacegroup Number: 58
  • Spacegroup Symbol: Pnnm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -264.2092032
  • Final energy per atom: -6.952873768421052
  • 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.