Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1216105

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-1216105
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 4
  • Element list: ['Y', 'Ga', 'Ni', 'Ge']
  • Chemical System: Ga-Ge-Ni-Y
  • Density: 6.680771538078638
  • Atomic Density: 0.056215799209653895
  • Unit Cell Volume: 213.46312191073946
  • Molar Volume: 10.712541393462608
  • Full Formula: Y2 Ga6 Ni2 Ge2
  • Reduced Formula: YGa3NiGe
  • Formula Anonymous: ABCD3
  • Spacegroup Number: 107
  • Spacegroup Symbol: I4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -58.14368673
  • Final energy per atom: -4.8453072275
  • 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.