Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1216878

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-1216878
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 4
  • Element list: ['U', 'Ni', 'Sn', 'Sb']
  • Chemical System: Ni-Sb-Sn-U
  • Density: 11.313451106804209
  • Atomic Density: 0.04969065036386144
  • Unit Cell Volume: 402.49020396290524
  • Molar Volume: 12.119263313928625
  • Full Formula: U6 Ni6 Sn4 Sb4
  • Reduced Formula: U3Ni3(SnSb)2
  • Formula Anonymous: A2B2C3D3
  • Spacegroup Number: 199
  • Spacegroup Symbol: I2_13
  • Crystal System: cubic
  • Pointgroup: 23

Thermodynamics:

  • Final energy: -142.22883891
  • Final energy per atom: -7.1114419455
  • 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.