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  1. Third-Parties
  2. MatprojStructure
  3. mp-1220266

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-1220266
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 4
  • Element list: ['Nd', 'Ho', 'Zr', 'O']
  • Chemical System: Ho-Nd-O-Zr
  • Density: 6.38268400104066
  • Atomic Density: 0.0712677599722815
  • Unit Cell Volume: 308.69498365820056
  • Molar Volume: 8.450021106798108
  • Full Formula: Nd3 Ho1 Zr4 O14
  • Reduced Formula: Nd3HoZr4O14
  • Formula Anonymous: AB3C4D14
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -206.96810199
  • Final energy per atom: -9.407640999545455
  • 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.