Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1198689

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-1198689
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 38
  • Number of elements: 3
  • Element list: ['Yb', 'Ni', 'Sn']
  • Chemical System: Ni-Sn-Yb
  • Density: 8.693992553201053
  • Atomic Density: 0.043495429786666005
  • Unit Cell Volume: 873.6550066611668
  • Molar Volume: 13.845456383663905
  • Full Formula: Yb10 Ni8 Sn20
  • Reduced Formula: Yb5(Ni2Sn5)2
  • Formula Anonymous: A4B5C10
  • Spacegroup Number: 127
  • Spacegroup Symbol: P4/mbm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -161.47845067
  • Final energy per atom: -4.249432912368421
  • 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.