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  1. Third-Parties
  2. MatprojStructure
  3. mp-1101702

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-1101702
  • 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: 40
  • Number of elements: 3
  • Element list: ['Nd', 'Zr', 'O']
  • Chemical System: Nd-O-Zr
  • Density: 6.577111695204162
  • Atomic Density: 0.06986471737251028
  • Unit Cell Volume: 572.5350578135857
  • Molar Volume: 8.619716770470378
  • Full Formula: Nd8 Zr8 O24
  • Reduced Formula: NdZrO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 55
  • Spacegroup Symbol: Pbam
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -363.26014788
  • Final energy per atom: -9.081503696999999
  • 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.