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  1. Third-Parties
  2. MatprojStructure
  3. mp-1220096

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-1220096
  • 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: 14
  • Number of elements: 4
  • Element list: ['Nd', 'Ti', 'Fe', 'C']
  • Chemical System: C-Fe-Nd-Ti
  • Density: 7.514204440245755
  • Atomic Density: 0.07740847713989119
  • Unit Cell Volume: 180.85874463980807
  • Molar Volume: 7.779691556412998
  • Full Formula: Nd1 Ti1 Fe11 C1
  • Reduced Formula: NdTiFe11C
  • Formula Anonymous: ABCD11
  • Spacegroup Number: 44
  • Spacegroup Symbol: Imm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -115.67432995
  • Final energy per atom: -8.262452139285715
  • 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.