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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227108

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-1227108
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 4
  • Element list: ['Ca', 'Y', 'Nb', 'O']
  • Chemical System: Ca-Nb-O-Y
  • Density: 4.909126694383401
  • Atomic Density: 0.07619581887530175
  • Unit Cell Volume: 288.72975347904713
  • Molar Volume: 7.9035055320496435
  • Full Formula: Ca2 Y2 Nb4 O14
  • Reduced Formula: CaYNb2O7
  • Formula Anonymous: ABC2D7
  • Spacegroup Number: 74
  • Spacegroup Symbol: Imma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -199.58606391
  • Final energy per atom: -9.072093814090909
  • 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.