Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-707264

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-707264
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 102
  • Number of elements: 8
  • Element list: ['Na', 'Ca', 'U', 'H', 'C', 'S', 'O', 'F']
  • Chemical System: C-Ca-F-H-Na-O-S-U
  • Density: 2.555307571635801
  • Atomic Density: 0.0887331613428973
  • Unit Cell Volume: 1149.513873464226
  • Molar Volume: 6.786798383896468
  • Full Formula: Na2 Ca6 U2 H32 C6 S2 O50 F2
  • Reduced Formula: NaCa3UH16C3SO25F
  • Formula Anonymous: ABCDE3F3G16H25
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -655.9864022
  • Final energy per atom: -6.4312392372549025
  • 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.