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  1. Third-Parties
  2. MatprojStructure
  3. mp-18490

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-18490
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 5
  • Element list: ['Sr', 'Sm', 'Nb', 'Cu', 'O']
  • Chemical System: Cu-Nb-O-Sm-Sr
  • Density: 6.203763383854236
  • Atomic Density: 0.07764906383623918
  • Unit Cell Volume: 360.5967492287044
  • Molar Volume: 7.755587076620285
  • Full Formula: Sr4 Sm2 Nb2 Cu4 O16
  • Reduced Formula: Sr2SmNb(CuO4)2
  • Formula Anonymous: ABC2D2E8
  • Spacegroup Number: 140
  • Spacegroup Symbol: I4/mcm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -207.7227529
  • Final energy per atom: -7.418669746428571
  • 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.