Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1220791

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-1220791
  • 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: 60
  • Number of elements: 3
  • Element list: ['Nd', 'Zn', 'Sn']
  • Chemical System: Nd-Sn-Zn
  • Density: 7.179968202295265
  • Atomic Density: 0.0500052861476265
  • Unit Cell Volume: 1199.8731458683574
  • Molar Volume: 12.043008297605434
  • Full Formula: Nd14 Zn43 Sn3
  • Reduced Formula: Nd14Zn43Sn3
  • Formula Anonymous: A3B14C43
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -156.14339514
  • Final energy per atom: -2.6023899189999997
  • 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.