Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1173239

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-1173239
  • 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: 100
  • Number of elements: 5
  • Element list: ['Sr', 'La', 'Mn', 'Fe', 'O']
  • Chemical System: Fe-La-Mn-O-Sr
  • Density: 6.153912694895318
  • Atomic Density: 0.08179266596475918
  • Unit Cell Volume: 1222.6035038775426
  • Molar Volume: 7.362690394019768
  • Full Formula: Sr6 La14 Mn18 Fe2 O60
  • Reduced Formula: Sr3La7Mn9FeO30
  • Formula Anonymous: AB3C7D9E30
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -841.59842844
  • Final energy per atom: -8.4159842844
  • 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.