Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1099708

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-1099708
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 144
  • Number of elements: 5
  • Element list: ['Sr', 'Ca', 'Fe', 'Co', 'O']
  • Chemical System: Ca-Co-Fe-O-Sr
  • Density: 4.40397387122017
  • Atomic Density: 0.0768517745318715
  • Unit Cell Volume: 1873.7368249093738
  • Molar Volume: 7.836046463055364
  • Full Formula: Sr12 Ca20 Fe16 Co16 O80
  • Reduced Formula: Sr3Ca5Fe4(CoO5)4
  • Formula Anonymous: A3B4C4D5E20
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -1029.87857619
  • Final energy per atom: -7.151934556875001
  • 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.