Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1212444

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-1212444
  • 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: 28
  • Number of elements: 3
  • Element list: ['In', 'N', 'F']
  • Chemical System: F-In-N
  • Density: 3.903021816520554
  • Atomic Density: 0.059999419389417115
  • Unit Cell Volume: 466.67118257045547
  • Molar Volume: 10.036998393124792
  • Full Formula: In6 N2 F20
  • Reduced Formula: In3NF10
  • Formula Anonymous: AB3C10
  • Spacegroup Number: 17
  • Spacegroup Symbol: P222_1
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -128.27060753
  • Final energy per atom: -4.581093126071429
  • 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.