Datasets:

n0w0f
/

cliff-contribution-analysis

property stringclasses 6 values	representation stringclasses 6 values	geometry_contribution float64 0.01 1.24	composition_contribution float64 -0.53 -0	volume float64 56.8 163k	error_geom_0.0 float64 0.01 0.99	error_geom_0.2 float64 0.01 0.69	error_geom_0.4 float64 0.01 0.36	error_geom_0.5 float64 0.01 0.25	error_geom_0.6 float64 0.01 0.17	error_geom_0.8 float64 0 0.08	error_geom_1.0 float64 0 0.08
perovskites	slices	0.03588	-0.020081	56.8438	0.03352	0.023616	0.016691	0.012649	0.009043	0.005636	0.003187
perovskites	composition	0.543783	-0.245915	56.8438	0.447479	0.282959	0.170794	0.11915	0.08144	0.026448	0.003645
perovskites	crystal_text_llm	0.007193	-0.00965	56.8438	0.015714	0.013171	0.010359	0.010684	0.008401	0.009769	0.004231
perovskites	zmatrix	0.030183	-0.012939	56.8438	0.027105	0.017639	0.01177	0.008777	0.005469	0.003854	0.004068
perovskites	cif_p1	0.006486	-0.00329	56.8438	0.013145	0.010446	0.005092	0.007399	0.006475	0.005455	0.006977
perovskites	atom_sequences_plusplus	0.130431	-0.076767	56.8438	0.114771	0.0794	0.051041	0.03826	0.023512	0.01013	0.004371
phonons	slices	1.190726	-0.334845	334.14556	0.987033	0.559539	0.288926	0.214924	0.160069	0.07499	0.074868
phonons	composition	0.964393	-0.327895	334.14556	0.74002	0.540728	0.324515	0.213623	0.152889	0.084493	0.075592
phonons	crystal_text_llm	1.122183	-0.291764	334.14556	0.871008	0.481774	0.313956	0.181518	0.133074	0.069086	0.050631
phonons	zmatrix	0.843655	-0.32412	334.14556	0.70796	0.467559	0.257263	0.196376	0.140755	0.066599	0.057653
phonons	cif_p1	1.031079	-0.325872	334.14556	0.795271	0.520846	0.323586	0.202874	0.148964	0.067321	0.066466
phonons	atom_sequences_plusplus	1.238366	-0.427197	334.14556	0.927156	0.688744	0.334428	0.237321	0.170681	0.069467	0.044619
gvrh	slices	0.267042	-0.133217	1,902.472561	0.231227	0.16599	0.091997	0.074057	0.047292	0.027477	0.014186
gvrh	composition	0.340004	-0.156869	1,902.472561	0.2906	0.18201	0.12006	0.084222	0.053113	0.021492	0.021192
gvrh	crystal_text_llm	0.357419	-0.101349	1,902.472561	0.235236	0.179266	0.122736	0.05994	0.047568	0.020486	0.010416
gvrh	zmatrix	0.237638	-0.11095	1,902.472561	0.190534	0.119868	0.099545	0.057437	0.037384	0.015199	0.008777
gvrh	cif_p1	0.318532	-0.142243	1,902.472561	0.278932	0.175769	0.072346	0.069505	0.038584	0.016283	0.011404
gvrh	atom_sequences_plusplus	0.331897	-0.117195	1,902.472561	0.268422	0.179763	0.094675	0.070321	0.052885	0.033492	0.007392
dielectric	slices	1.018229	-0.455384	1,913.226395	0.851507	0.529697	0.293323	0.218766	0.135215	0.044137	0.021561
dielectric	composition	1.101107	-0.489593	1,913.226395	0.898831	0.592775	0.358337	0.249612	0.159063	0.060579	0.0396
dielectric	crystal_text_llm	1.0577	-0.419635	1,913.226395	0.852155	0.524419	0.299437	0.206104	0.135597	0.042592	0.020487
dielectric	zmatrix	0.996336	-0.440254	1,913.226395	0.802362	0.528164	0.296006	0.210066	0.134084	0.040816	0.015043
dielectric	cif_p1	1.045504	-0.457649	1,913.226395	0.859272	0.534096	0.306597	0.218154	0.139294	0.041464	0.016055
dielectric	atom_sequences_plusplus	1.10169	-0.533677	1,913.226395	0.920926	0.596561	0.33916	0.251652	0.154351	0.052533	0.014395
form_energy	cif_p1	0.21804	-0.103581	163,198.302678	0.178379	0.120991	0.064971	0.048767	0.03179	0.009535	0.001396
form_energy	zmatrix	0.134748	-0.04893	163,198.302678	0.113561	0.061956	0.033122	0.02463	0.017046	0.00576	0.002155
form_energy	composition	0.290742	-0.142869	163,198.302678	0.232811	0.179333	0.086853	0.069419	0.046281	0.014348	0.004758
form_energy	crystal_text_llm	0.237299	-0.096515	163,198.302678	0.173838	0.135732	0.076036	0.049436	0.032199	0.012335	0.007257
form_energy	atom_sequences_plusplus	0.299501	-0.130363	163,198.302678	0.2319	0.156257	0.097998	0.062218	0.04017	0.012733	0.003389
form_energy	slices	0.205732	-0.081342	163,198.302678	0.167064	0.105522	0.061247	0.0427	0.028578	0.011133	0.007047
bandgap	cif_p1	0.191033	-0.101079	155,996.463432	0.16395	0.107294	0.064313	0.048175	0.030447	0.010789	0.002209
bandgap	zmatrix	0.156169	-0.055479	155,996.463432	0.122267	0.07727	0.043598	0.028989	0.019286	0.00775	0.004453
bandgap	composition	0.267773	-0.137119	155,996.463432	0.230659	0.154489	0.085967	0.067781	0.042997	0.014596	0.00863
bandgap	crystal_text_llm	0.221783	-0.084021	155,996.463432	0.176454	0.111053	0.06969	0.045138	0.029383	0.01412	0.007889
bandgap	atom_sequences_plusplus	0.260451	-0.111246	155,996.463432	0.220942	0.124922	0.077945	0.054453	0.03522	0.011417	0.005475
bandgap	slices	0.191918	-0.068985	155,996.463432	0.168166	0.09227	0.054962	0.04116	0.03062	0.014124	0.00975

README.md exists but content is empty.

Downloads last month: 18

Size of downloaded dataset files:

8.58 kB

Size of the auto-converted Parquet files:

8.58 kB

Number of rows: