Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1046226

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-1046226
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 26
  • Number of elements: 5
  • Element list: ['Sr', 'Y', 'Cu', 'Bi', 'O']
  • Chemical System: Bi-Cu-O-Sr-Y
  • Density: 6.370551666651628
  • Atomic Density: 0.07002623232340416
  • Unit Cell Volume: 371.28943165074844
  • Molar Volume: 8.599835461927716
  • Full Formula: Sr4 Y2 Cu4 Bi2 O14
  • Reduced Formula: Sr2YCu2BiO7
  • Formula Anonymous: ABC2D2E7
  • Spacegroup Number: 46
  • Spacegroup Symbol: Ima2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -173.4777872
  • Final energy per atom: -6.672222584615384
  • 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.