Dataset
Mg_edmonds_2022
Download Dataset XYZ file
| Name | Mg_edmonds_2022 |
|---|---|
| Extended ID | Mg_edmonds_2022_Poul__DS_3ldikbbjxirh_0 |
| Description | 16748 configurations of magnesium with gathered energy, stress and forces at the DFT level of theory. |
| Authors |
Marvin Poul |
| Elements |
Mg (100.0%) |
| Number of Data Objects | 16,748 |
| Number of Configurations | 16,748 |
| Number of Atoms | 78,249 |
| Links |
https://github.com/eisenforschung/magnesium-mtp-training-data https://doi.org/10.17617/3.A3MB7Z https://arxiv.org/abs/2207.04009 https://doi.org/10.1103/PhysRevB.107.104103 |
| Configuration Sets by Name |
mg_edmonds_2022_CellMin — Configurations from mg_edmonds_2022 in CellMin dataset mg_edmonds_2022_Everything — Configurations from mg_edmonds_2022 in Everything dataset (defined by dataset author) mg_edmonds_2022_EverythingNoShear — Configurations from mg_edmonds_2022 in EverythingNoShear dataset mg_edmonds_2022_Hydro — Configurations from mg_edmonds_2022 in Hydro dataset mg_edmonds_2022_IntMin — Configurations from mg_edmonds_2022 in IntMin dataset mg_edmonds_2022_RandSPG — Configurations from mg_edmonds_2022 in RandSPG dataset mg_edmonds_2022_Rattle — Configurations from mg_edmonds_2022 in Rattle dataset mg_edmonds_2022_Shear — Configurations from mg_edmonds_2022 in Shear dataset mg_edmonds_2022_VolMin — Configurations from mg_edmonds_2022 in VolMin dataset |
| Configuration Sets by ID |
CS_blkrol9cvhjp_0 CS_255f50sxz1t2_0 CS_lyc958mpmi8c_0 CS_gykwycw8wty5_0 CS_kubs61iuyoqk_0 CS_1i6ptcj8w81w_0 CS_uhvofbrr00rv_0 CS_wp3dpexhd760_0 CS_xyxe9r7pktq1_0 |
| Data Objects | Too many to display |
| ColabFit ID | DS_3ldikbbjxirh_0 |
| Files | colabfitspec.json |
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