Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1220550

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-1220550
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 4
  • Element list: ['Nb', 'V', 'Ni', 'C']
  • Chemical System: C-Nb-Ni-V
  • Density: 7.78286010658236
  • Atomic Density: 0.07207802960260212
  • Unit Cell Volume: 388.4678889583457
  • Molar Volume: 8.35502967159717
  • Full Formula: Nb12 V6 Ni6 C4
  • Reduced Formula: Nb6V3Ni3C2
  • Formula Anonymous: A2B3C3D6
  • Spacegroup Number: 44
  • Spacegroup Symbol: Imm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -256.38646183
  • Final energy per atom: -9.156659351071427
  • 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.