Split (1)

train · 311k rows

mp_ID stringlengths 4 10	x float64 -10.28 17.7	y float64 -12.01 23.9	z float64 -8.99 7.96	type stringclasses 2 values	formula stringlengths 2 26	n_atoms int64 1 444	spacegroup int64 1 230	volume float64 5.61 20.1k
mp-14280	-3.862913	-1.378662	-5.882685	other	Ga8Sn8S20	36	33	871.39
mp-625252	10.419969	6.215129	-4.248467	other	Fe4H4O8	16	33	154.41
mp-772813	7.044192	10.247532	-0.177826	other	Ca8Cu8O20	36	33	464.75
mp-1200190	-3.48427	-4.090237	0.685979	other	Pr8Si8P24	40	33	862.2
mp-1247062	0.664801	2.478032	1.738765	other	Mn4Ir4N8	16	33	174.45
mp-1219093	-3.939475	-3.828113	-2.903311	other	Sm4U8Se20	32	33	818.72
mp-1246016	0.953261	2.110167	2.165682	other	V4Ga4N8	16	33	189.94
mp-21060	8.471605	12.010764	-0.674799	other	Na4Fe4O8	16	33	228.71
mp-1245520	2.274534	2.36124	1.663466	other	Cu4Ge4N8	16	33	182.19
mp-1245637	1.373398	2.540133	1.98957	other	Al4Fe4N8	16	33	165.1
mp-1193507	2.60092	2.917714	-4.517097	other	Re4Cl16O8	28	33	786.98
mp-1101501	8.807528	7.838219	-5.299038	other	Ni12P16O60	88	33	1,223.4
mp-30330	14.039878	7.43587	-4.917892	other	U8P16O56	80	33	1,079.89
mp-561426	9.653912	10.457728	0.955263	other	Ba8Cr4O16	28	33	498.94
mp-1247541	0.576417	2.564345	1.708502	other	Mn4Rh4N8	16	33	167.2
mp-28131	-3.145039	-1.061882	-3.799372	other	C4Se16Br8	28	33	803.08
mp-733580	9.080411	7.506613	-5.013677	other	Ba12P12O48	72	33	1,202.71
mp-1198192	-0.387547	1.302323	-4.67897	other	Rb24Zn12Br48	84	33	3,221.34
mp-23515	1.463223	2.605972	-5.880163	other	K24Co12Cl48	84	33	2,514.54
mp-625664	8.483094	4.335725	-4.373391	other	H16N8O12	36	33	400.46
mp-1246004	1.457171	1.939796	2.276012	other	V4Si4N8	16	33	164.63
mp-22994	7.784356	6.642614	-3.006557	other	Li4I4O12	20	33	280.6
mp-1199763	-2.713217	1.648817	2.55444	other	B96N16O4	116	33	882.05
mp-683963	8.052446	10.45152	1.736311	other	Gd24Ru8O56	88	33	1,173.25
mp-1360796	1.555028	2.502556	0.953185	other	Ca8Co8N16	32	33	854.47
mp-560692	10.88031	11.601313	2.992091	other	K16Nb24O68	108	33	1,767.04
mp-567352	-0.662688	0.878459	-4.000577	other	Ga8Sb32Br32	72	33	2,733.95
mp-1105293	11.172685	7.919201	-1.570206	other	Ga4Ag4O8	16	33	227.83
mp-1246670	1.376788	2.515446	1.921142	other	Al4Co4N8	16	33	165.97
mp-1203143	11.166563	4.383749	-7.561532	other	Nb8S12O56	76	33	1,092.52
mp-626289	7.681713	4.27932	-4.5003	other	H12N4O16	32	33	337.63
mp-758600	12.897169	-0.836234	0.346826	other	Mn4O4F4	12	33	133.93
mp-1211324	-3.227941	-1.168746	-5.749295	other	Li28P4S24	56	33	1,001.83
mp-21617	8.72454	10.476603	-0.316311	other	In8Cu8O20	36	33	447.89
mp-766575	-3.735835	-1.208783	-5.588496	other	Li32Ti4S24	60	33	1,070.94
mp-2979	2.410463	2.286333	1.647308	other	Zn4Ge4N8	16	33	182.24
mp-556826	13.839317	4.258388	-2.122441	other	Ca12B24O48	84	33	845.05
mp-1029584	2.884605	2.36035	1.703981	other	K8Si40N56	104	33	1,231.71
mp-17964	-4.635763	-2.857216	-3.692987	other	Na8Ge8Se20	36	33	978.35
mp-759725	10.396697	2.292541	-0.375125	other	V4O4F12	20	33	279.65
mp-676828	-5.334587	-4.268017	0.327702	other	Zn4Cu4As4	12	33	208.07
mp-1245418	2.319008	2.196166	1.215514	other	Cd4Sn4N8	16	33	258.84
mp-1223184	-3.9528	-4.087586	-3.685617	other	La12Se16Cl4	32	33	882.61
mp-1100815	-5.37609	-4.221668	0.335771	other	Zn4Cu4As4	12	33	204.81
mp-649957	10.849059	11.03954	-3.816558	other	Cu12Mo8O36	56	33	795.82
mp-15645	-4.030429	-1.330465	-5.579585	other	Ag32Sn4S24	60	33	1,251.16
mp-1246422	2.298412	2.243555	1.548382	other	In4Ge4N8	16	33	232.45
mp-1219823	-2.930708	-2.717087	-4.277759	other	Pr4U8S20	32	33	707.3
mp-972448	-2.927523	-1.747433	-5.663843	other	Sm4B4S12	20	33	397.9
mp-1200910	7.090477	1.294034	-3.671303	other	Li28H20N16	64	33	518.15
mp-625654	10.136007	9.188964	-2.424333	other	Te8H8O24	40	33	491.29
mp-758841	9.268679	0.962385	-0.460385	other	Li8Cu16F56	80	33	1,070.98
mp-642210	12.981352	6.437668	-0.57253	other	Mg8Si8O24	40	33	540.68
mp-1209763	8.180861	0.649402	1.146626	other	Rb8Eu4F20	32	33	638.17
mp-3491	11.157749	10.841658	1.570923	other	Nb4Sb4O16	24	33	329.27
mp-11582	-4.786067	-2.839875	-4.009589	other	Li4Ga4Se8	16	33	374.1
mp-753539	10.730496	8.945255	-1.262856	other	Sb4O4F4	12	33	242.28
mp-737304	13.47668	7.894299	-1.235615	other	Mn36Si16O72	124	33	1,452.83
mp-849541	10.184473	2.828152	1.932984	other	Li8V8F28	44	33	508.65
mp-1219427	11.386353	6.901515	-1.590211	other	Si16Pb8O44	68	33	1,124.99
mp-1245681	1.267491	2.487775	1.859967	other	Ga4Co4N8	16	33	174.58
mp-559849	11.465866	7.689884	0.64705	other	Ca8Ga16O32	56	33	757.22
mp-866813	-3.375581	-1.739175	-5.665251	other	Ca16Sn8S32	56	33	1,420.08
mp-862754	-2.991993	-1.55865	-5.569998	other	Pr4B4S12	20	33	415
mp-1209215	10.778639	9.16652	-0.700473	other	Sb24I8O32	64	33	1,384.3
mp-1247536	1.02802	2.358424	1.688093	other	Mg4Ir4N8	16	33	205.81
mp-9770	-4.050047	-1.328898	-5.543086	other	Ag32Ge4S24	60	33	1,207.55
mp-532220	-5.312683	-0.383463	-5.612103	other	Dy16Cr48S96	160	33	2,936.72
mp-753485	10.639726	0.066913	0.17053	other	Li4Mn4F16	24	33	288.56
mp-1029633	2.236826	2.084518	1.35082	other	Ca4Sn4N8	16	33	265.6
mp-555639	8.672281	10.384408	2.001034	other	Sm24Os8O56	88	33	1,180.59
mp-759511	10.035974	1.882843	0.78169	other	Li8V4F24	36	33	387.4
mp-505432	9.159801	1.826694	1.842642	other	Sm4Be4F16	24	33	314.39
mp-777972	10.442407	0.922265	1.676841	other	Li8Mn8F24	40	33	496.51
mp-779729	10.784328	11.595982	2.408857	other	Na8Ti8O20	36	33	575.2
mp-1180004	11.689238	4.755254	-4.489293	other	P8H24O24	56	33	662.13
mp-1202870	8.541409	6.709299	-3.753407	other	Rb12B12O40	64	33	1,111.75
mp-1245604	2.188453	2.343347	1.241615	other	Mg4Te4N8	16	33	268.02
mp-1247543	0.701959	2.150818	2.009744	other	Zn4Re4N8	16	33	201.69
mp-1237534	11.700624	10.575408	0.775022	other	Sr16V8O32	56	33	980.83
mp-1246304	0.683591	2.39567	1.968969	other	Mg4V4N8	16	33	193.86
mp-769289	9.586552	8.771287	2.208443	other	Y8Hg8O20	36	33	568.38
mp-1245999	0.75658	2.326025	1.903677	other	Zn4Os4N8	16	33	194.87
mp-1101558	10.10981	8.179048	-6.624473	other	Fe12P16O60	88	33	1,243.9
mp-29823	-5.294402	-2.719321	-4.193361	other	Cu28P4Se24	56	33	1,027.28
mp-760330	9.780221	2.186636	0.462969	other	Li8V8F40	56	33	770.14
mp-775839	10.049841	2.623673	2.108601	other	Li8V4F16	28	33	322.4
mp-761886	9.79007	0.468601	0.723381	other	Li8Cu8F20	36	33	400.11
mp-540118	10.411991	7.855838	-6.972704	other	Mn4P4O16	24	33	399.48
mp-29295	-3.230328	-1.655341	-5.28286	other	Sr12Sb16S36	64	33	1,663.29
mp-530262	1.717962	2.345	1.378754	other	Li60Cr8N36	104	33	946.15
mp-776684	10.098895	0.520131	0.625966	other	Li12Fe4F24	40	33	395.6
mp-1246114	0.772355	2.373354	1.925929	other	Mg4Ru4N8	16	33	203.72
mp-763362	10.455073	1.018087	1.60496	other	Li4Mn4F12	20	33	240.4
mp-768866	8.339449	9.731096	1.880204	other	Sm8Cu8O20	36	33	502.61
mp-1227523	-3.033862	-2.71954	-4.130858	other	Ce4U8S20	32	33	727.18
mp-3660	13.838996	4.249222	-2.425334	other	Li4B12O20	36	33	318.68
mp-5854	11.844666	7.834898	-0.529847	other	Li4Ga4O8	16	33	171.72
mp-1016108	1.548267	1.969897	2.214309	other	Ti4Zn4N8	16	33	192.46
mp-1246542	0.773808	2.335144	1.864414	other	Zn4Ru4N8	16	33	197.27

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