Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1215260

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-1215260
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 4
  • Element list: ['Zr', 'Nb', 'Si', 'Ru']
  • Chemical System: Nb-Ru-Si-Zr
  • Density: 7.853984058446857
  • Atomic Density: 0.06414110390367396
  • Unit Cell Volume: 280.6312786108593
  • Molar Volume: 9.388894785852067
  • Full Formula: Zr3 Nb3 Si6 Ru6
  • Reduced Formula: ZrNb(SiRu)2
  • Formula Anonymous: ABC2D2
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -157.98185152999997
  • Final energy per atom: -8.776769529444444
  • 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.