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  1. Third-Parties
  2. MatprojStructure
  3. mp-1218551

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-1218551
  • 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: 22
  • Number of elements: 6
  • Element list: ['Sr', 'Y', 'Fe', 'Cu', 'Bi', 'O']
  • Chemical System: Bi-Cu-Fe-O-Sr-Y
  • Density: 6.157307244050902
  • Atomic Density: 0.07496947377778283
  • Unit Cell Volume: 293.4527733942784
  • Molar Volume: 8.032790489966944
  • Full Formula: Sr3 Y2 Fe1 Cu3 Bi1 O12
  • Reduced Formula: Sr3Y2FeCu3BiO12
  • Formula Anonymous: ABC2D3E3F12
  • Spacegroup Number: 38
  • Spacegroup Symbol: Amm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -154.03330461
  • Final energy per atom: -7.00151384590909
  • 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.