Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1238930

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-1238930
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 66
  • Number of elements: 5
  • Element list: ['Co', 'B', 'P', 'H', 'O']
  • Chemical System: B-Co-H-O-P
  • Density: 3.1394816705877
  • Atomic Density: 0.1046496039466707
  • Unit Cell Volume: 630.676060978057
  • Molar Volume: 5.75457577753364
  • Full Formula: Co6 B6 P6 H12 O36
  • Reduced Formula: CoBP(HO3)2
  • Formula Anonymous: ABCD2E6
  • Spacegroup Number: 152
  • Spacegroup Symbol: P3_121
  • Crystal System: trigonal
  • Pointgroup: 321

Thermodynamics:

  • Final energy: -474.12469282
  • Final energy per atom: -7.183707466969697
  • 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.