Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1222622

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-1222622
  • 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: 16
  • Number of elements: 4
  • Element list: ['Li', 'Tb', 'Zn', 'Sn']
  • Chemical System: Li-Sn-Tb-Zn
  • Density: 7.200316886302575
  • Atomic Density: 0.04150368435276125
  • Unit Cell Volume: 385.50794343961695
  • Molar Volume: 14.509894371821824
  • Full Formula: Li3 Tb4 Zn1 Sn8
  • Reduced Formula: Li3Tb4ZnSn8
  • Formula Anonymous: AB3C4D8
  • Spacegroup Number: 25
  • Spacegroup Symbol: Pmm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -64.02496954
  • Final energy per atom: -4.00156059625
  • 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.