Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-554634

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-554634
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 108
  • Number of elements: 4
  • Element list: ['Sr', 'Mn', 'S', 'O']
  • Chemical System: Mn-O-S-Sr
  • Density: 3.2292589590860685
  • Atomic Density: 0.0745823420011486
  • Unit Cell Volume: 1448.0639398309152
  • Molar Volume: 8.074485995501798
  • Full Formula: Sr3 Mn15 S18 O72
  • Reduced Formula: SrMn5(SO4)6
  • Formula Anonymous: AB5C6D24
  • Spacegroup Number: 147
  • Spacegroup Symbol: P-3
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -805.76292257
  • Final energy per atom: -7.460767801574074
  • 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.