Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1076688

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-1076688
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 5
  • Element list: ['Sr', 'Ca', 'Co', 'Cu', 'O']
  • Chemical System: Ca-Co-Cu-O-Sr
  • Density: 5.299719284752025
  • Atomic Density: 0.08681267665707117
  • Unit Cell Volume: 460.76220133159404
  • Molar Volume: 6.936937083265796
  • Full Formula: Sr6 Ca2 Co6 Cu2 O24
  • Reduced Formula: Sr3CaCo3CuO12
  • Formula Anonymous: ABC3D3E12
  • Spacegroup Number: 28
  • Spacegroup Symbol: Pma2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -259.82668125
  • Final energy per atom: -6.495667031249999
  • 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.