Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-505490

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-505490
  • 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: 66
  • Number of elements: 3
  • Element list: ['Rb', 'Sn', 'Sb']
  • Chemical System: Rb-Sb-Sn
  • Density: 3.96598343556047
  • Atomic Density: 0.022056227725084115
  • Unit Cell Volume: 2992.3521294142015
  • Molar Volume: 27.303584434572812
  • Full Formula: Rb24 Sn6 Sb36
  • Reduced Formula: Rb4SnSb6
  • Formula Anonymous: AB4C6
  • Spacegroup Number: 147
  • Spacegroup Symbol: P-3
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -223.92906259
  • Final energy per atom: -3.39286458469697
  • 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.