Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-39239

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-39239
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 5
  • Element list: ['Sr', 'La', 'Mn', 'Ru', 'O']
  • Chemical System: La-Mn-O-Ru-Sr
  • Density: 6.113152831661785
  • Atomic Density: 0.07693200717113387
  • Unit Cell Volume: 129.98490963267318
  • Molar Volume: 7.827874224838378
  • Full Formula: Sr1 La1 Mn1 Ru1 O6
  • Reduced Formula: SrLaMnRuO6
  • Formula Anonymous: ABCDE6
  • Spacegroup Number: 146
  • Spacegroup Symbol: R3H
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -80.75914906000001
  • Final energy per atom: -8.075914906000001
  • 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.