Download Simmate

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

learn more

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-605018
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 152
  • Number of elements: 7
  • Element list: ['Na', 'Ag', 'H', 'C', 'S', 'N', 'O']
  • Chemical System: Ag-C-H-N-Na-O-S
  • Density: 1.8741811303134779
  • Atomic Density: 0.08388307386227083
  • Unit Cell Volume: 1812.046137574448
  • Molar Volume: 7.179208489531349
  • Full Formula: Na4 Ag4 H64 C16 S16 N8 O40
  • Reduced Formula: NaAgH16C4S4(NO5)2
  • Formula Anonymous: ABC2D4E4F10G16
  • Spacegroup Number: 52
  • Spacegroup Symbol: Pnna
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -837.28416714
  • Final energy per atom: -5.508448468026316
  • 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.