Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-569282

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-569282
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 84
  • Number of elements: 4
  • Element list: ['Li', 'Ca', 'Mg', 'Sb']
  • Chemical System: Ca-Li-Mg-Sb
  • Density: 4.125624286067264
  • Atomic Density: 0.03414873384349855
  • Unit Cell Volume: 2459.8276581780924
  • Molar Volume: 17.635033812963854
  • Full Formula: Li4 Ca40 Mg4 Sb36
  • Reduced Formula: LiCa10MgSb9
  • Formula Anonymous: ABC9D10
  • Spacegroup Number: 136
  • Spacegroup Symbol: P4_2/mnm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -330.68420632
  • Final energy per atom: -3.9367167419047617
  • 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.