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  1. Third-Parties
  2. MatprojStructure
  3. mp-1216342

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-1216342
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 96
  • Number of elements: 4
  • Element list: ['Y', 'Cd', 'Mo', 'O']
  • Chemical System: Cd-Mo-O-Y
  • Density: 5.246997326014923
  • Atomic Density: 0.07494783344368652
  • Unit Cell Volume: 1280.890928916997
  • Molar Volume: 8.035109866818031
  • Full Formula: Y16 Cd4 Mo12 O64
  • Reduced Formula: Y4CdMo3O16
  • Formula Anonymous: AB3C4D16
  • Spacegroup Number: 201
  • Spacegroup Symbol: Pn-31
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -824.99740675
  • Final energy per atom: -8.593722986979166
  • 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.