Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1218470

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-1218470
  • 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: 14
  • Number of elements: 4
  • Element list: ['Sr', 'Ca', 'Ni', 'Sn']
  • Chemical System: Ca-Ni-Sn-Sr
  • Density: 7.469161492304883
  • Atomic Density: 0.058738315419265434
  • Unit Cell Volume: 238.34527599353274
  • Molar Volume: 10.252491439386448
  • Full Formula: Sr1 Ca1 Ni8 Sn4
  • Reduced Formula: SrCa(Ni2Sn)4
  • Formula Anonymous: ABC4D8
  • Spacegroup Number: 97
  • Spacegroup Symbol: I422
  • Crystal System: tetragonal
  • Pointgroup: 422

Thermodynamics:

  • Final energy: -70.59421425
  • Final energy per atom: -5.042443874999999
  • 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.