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  1. Third-Parties
  2. MatprojStructure
  3. mp-675469

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-675469
  • Created at: Sept. 4, 2022, 2:47 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: ['Zr', 'Sc', 'O']
  • Chemical System: O-Sc-Zr
  • Density: 4.655215822959282
  • Atomic Density: 0.08251935971297726
  • Unit Cell Volume: 460.497998677806
  • Molar Volume: 7.297852020358003
  • Full Formula: Zr6 Sc8 O24
  • Reduced Formula: Zr3Sc4O12
  • Formula Anonymous: A3B4C12
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -367.84555276
  • Final energy per atom: -9.680146125263157
  • 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.