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  1. Third-Parties
  2. MatprojStructure
  3. mp-1218684

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-1218684
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 26
  • Number of elements: 7
  • Element list: ['Sr', 'Ca', 'Y', 'Fe', 'Cu', 'Pb', 'O']
  • Chemical System: Ca-Cu-Fe-O-Pb-Sr-Y
  • Density: 5.777633587414118
  • Atomic Density: 0.07410897968869222
  • Unit Cell Volume: 350.83467764928844
  • Molar Volume: 8.126060816512464
  • Full Formula: Sr4 Ca1 Y1 Fe1 Cu4 Pb1 O14
  • Reduced Formula: Sr4CaYFeCu4PbO14
  • Formula Anonymous: ABCDE4F4G14
  • Spacegroup Number: 119
  • Spacegroup Symbol: I-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -169.65221476
  • Final energy per atom: -6.525085183076923
  • 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.