Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-690698

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-690698
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 6
  • Element list: ['Ag', 'Sb', 'H', 'C', 'N', 'F']
  • Chemical System: Ag-C-F-H-N-Sb
  • Density: 2.8266605487579253
  • Atomic Density: 0.05992810318443205
  • Unit Cell Volume: 467.2265350002561
  • Molar Volume: 10.048942716352174
  • Full Formula: Ag2 Sb2 H4 C4 N4 F12
  • Reduced Formula: AgSbH2C2(NF3)2
  • Formula Anonymous: ABC2D2E2F6
  • Spacegroup Number: 58
  • Spacegroup Symbol: Pnnm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -158.12080423
  • Final energy per atom: -5.647171579642857
  • 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.