Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1173215

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-1173215
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 26
  • Number of elements: 6
  • Element list: ['Sr', 'Ca', 'Y', 'Ga', 'Cu', 'O']
  • Chemical System: Ca-Cu-Ga-O-Sr-Y
  • Density: 4.39656469484303
  • Atomic Density: 0.06274762079931559
  • Unit Cell Volume: 414.3583401059183
  • Molar Volume: 9.59740095845305
  • Full Formula: Sr4 Ca1 Y1 Ga2 Cu4 O14
  • Reduced Formula: Sr4CaYGa2(Cu2O7)2
  • Formula Anonymous: ABC2D4E4F14
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -159.96946470999998
  • Final energy per atom: -6.152671719615384
  • 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.