Allanatrix/SSB_Dataset · Datasets at Hugging Face

mp_id stringlengths 4 38	elements listlengths 1 10	atomic_numbers listlengths 1 200	num_atoms int32 1 200	num_elements int32 1 10	fractional_coords listlengths 1 200	lattice dict	spacegroup_number int32 0 230	reduced_formula stringlengths 1 24	tier stringclasses 3 values	is_li_containing bool 2 classes	num_li_atoms int32 0 104 ⌀	band_gap float32 0 17.9 ⌀	energy_above_hull float32 0 9.71 ⌀	formation_energy_per_atom float32 -5.15 8.99 ⌀	is_metal bool 2 classes	source_tags listlengths 1 5 ⌀	source stringclasses 4 values
mp-1184340	[ "V", "Eu" ]	[ 63, 63, 63, 63, 63, 63, 63, 63, 63, 63, 63, 63, 23, 23, 23, 23 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 8.123140335083008, "b": 8.123140335083008, "c": 8.123140335083008, "alpha": 90, "beta": 90, "gamma": 90 }	225	Eu3V	hard_negative	false	null	0	0.474174	0.474174	true	[ "metallic" ]	null
mp-1184344	[ "Ga", "Pb" ]	[ 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 82, 82, 82, 82 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 7.204463958740234, "b": 7.204463958740234, "c": 7.204463958740234, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ga3Pb	hard_negative	false	null	0	0.092951	0.092951	true	[ "metallic" ]	null
mp-1184364	[ "Fe", "Rh" ]	[ 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 45, 45, 45, 45 ]	16	2	[ [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0, 0, 0 ], [ 0.75, 0.25, 0.25 ], [ 0.25, 0.75, 0.75 ], [ 0, 0.5, 0.5 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.5, 0, 0.5 ], [ 0.25, 0.25, 0.75 ], [ 0.75, 0.75, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0.5, 0 ], [ 0, 0, 0.5 ] ]	{ "a": 5.860806941986084, "b": 5.860806941986084, "c": 5.860806941986084, "alpha": 90, "beta": 90, "gamma": 90 }	225	Fe3Rh	hard_negative	false	null	0	0	-0.022205	true	[ "metallic" ]	null
mp-1184365	[ "Eu", "Au" ]	[ 63, 63, 63, 63, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ] ]	{ "a": 7.087828159332275, "b": 7.087828159332275, "c": 7.087828159332275, "alpha": 90, "beta": 90, "gamma": 90 }	225	EuAu3	hard_negative	false	null	0	0.059975	-0.526885	true	[ "metallic" ]	null
mp-1184379	[ "Eu", "Th" ]	[ 63, 63, 63, 63, 63, 63, 63, 63, 63, 63, 63, 63, 90, 90, 90, 90 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 8.470447540283203, "b": 8.470447540283203, "c": 8.470447540283203, "alpha": 90, "beta": 90, "gamma": 90 }	225	Eu3Th	hard_negative	false	null	0	0.246721	0.246721	true	[ "metallic" ]	null
mp-1184433	[ "Eu", "Ta" ]	[ 63, 63, 63, 63, 63, 63, 63, 63, 63, 63, 63, 63, 73, 73, 73, 73 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 8.103236198425293, "b": 8.103236198425293, "c": 8.103236198425293, "alpha": 90, "beta": 90, "gamma": 90 }	225	Eu3Ta	hard_negative	false	null	0	0.695312	0.695312	true	[ "metallic" ]	null
mp-1184446	[ "Tc", "Eu" ]	[ 63, 63, 63, 63, 63, 63, 63, 63, 63, 63, 63, 63, 43, 43, 43, 43 ]	16	2	[ [ 0.75, 0.75, 0.25 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 7.693920135498047, "b": 7.693920135498047, "c": 7.693920135498047, "alpha": 90, "beta": 90, "gamma": 90 }	225	Eu3Tc	hard_negative	false	null	0	0.45058	0.45058	true	[ "metallic" ]	null
mp-1184456	[ "Eu", "U" ]	[ 63, 63, 63, 63, 63, 63, 63, 63, 63, 63, 63, 63, 92, 92, 92, 92 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 8.825736045837402, "b": 8.825736045837402, "c": 8.825736045837402, "alpha": 90, "beta": 90, "gamma": 90 }	225	Eu3U	hard_negative	false	null	0	0.647893	0.647893	true	[ "metallic" ]	null
mp-1184492	[ "B", "In" ]	[ 49, 49, 49, 49, 49, 49, 49, 49, 49, 49, 49, 49, 5, 5, 5, 5 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 7.132142066955566, "b": 7.132142066955566, "c": 7.132142066955566, "alpha": 90, "beta": 90, "gamma": 90 }	225	In3B	hard_negative	false	null	0	0.9109	0.9109	true	[ "metallic" ]	null
mp-1184555	[ "B", "Ge" ]	[ 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 5, 5, 5, 5 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 6.420251846313477, "b": 6.420251846313477, "c": 6.420251846313477, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ge3B	hard_negative	false	null	0	0.984135	0.984135	true	[ "metallic" ]	null
mp-1184556	[ "H", "Ge" ]	[ 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 1, 1, 1, 1 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 6.310309886932373, "b": 6.310309886932373, "c": 6.310309886932373, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ge3H	hard_negative	false	null	0	0.551115	0.539989	true	[ "metallic" ]	null
mp-1184561	[ "Ge", "As" ]	[ 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 33, 33, 33, 33 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 6.776303768157959, "b": 6.776303768157959, "c": 6.776303768157959, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ge3As	hard_negative	false	null	0	0.363903	0.333755	true	[ "metallic" ]	null
mp-1184574	[ "P", "Hg" ]	[ 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 15, 15, 15, 15 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 7.172619819641113, "b": 7.172619819641113, "c": 7.172619819641113, "alpha": 90, "beta": 90, "gamma": 90 }	225	Hg3P	hard_negative	false	null	0	0.449327	0.449327	true	[ "metallic" ]	null
mp-1184584	[ "Ge", "Au" ]	[ 32, 32, 32, 32, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ] ]	{ "a": 6.5828423500061035, "b": 6.5828423500061035, "c": 6.5828423500061035, "alpha": 90, "beta": 90, "gamma": 90 }	225	GeAu3	hard_negative	false	null	0	0.132718	0.132718	true	[ "metallic" ]	null
mp-1184598	[ "H", "Os" ]	[ 1, 1, 1, 1, 76, 76, 76, 76, 76, 76, 76, 76, 76, 76, 76, 76 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ] ]	{ "a": 5.913099765777588, "b": 5.913099765777588, "c": 5.913099765777588, "alpha": 90, "beta": 90, "gamma": 90 }	225	HOs3	hard_negative	false	null	0	0.938165	0.938165	true	[ "metallic" ]	null
mp-1184605	[ "Cl", "Hg" ]	[ 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 17, 17, 17, 17 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 7.549332141876221, "b": 7.549332141876221, "c": 7.549332141876221, "alpha": 90, "beta": 90, "gamma": 90 }	225	Hg3Cl	hard_negative	false	null	0	0.194445	-0.116181	true	[ "halide", "metallic" ]	null
mp-1184651	[ "Sb", "Hg" ]	[ 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 51, 51, 51, 51 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 7.519792079925537, "b": 7.519792079925537, "c": 7.519792079925537, "alpha": 90, "beta": 90, "gamma": 90 }	225	Hg3Sb	hard_negative	false	null	0	0.117228	0.117228	true	[ "metallic" ]	null
mp-1184652	[ "Ge", "Os" ]	[ 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 76, 76, 76, 76 ]	16	2	[ [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.75, 0.25 ], [ 0.25, 0.25, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.75, 0.75 ], [ 0.75, 0.25, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 6.388177871704102, "b": 6.388177871704102, "c": 6.388177871704102, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ge3Os	hard_negative	false	null	0	0.517446	0.454837	true	[ "metallic" ]	null
mp-1184655	[ "F", "Hg" ]	[ 80, 80, 80, 80, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ] ]	{ "a": 5.72634220123291, "b": 5.72634220123291, "c": 5.72634220123291, "alpha": 90, "beta": 90, "gamma": 90 }	225	HgF3	hard_negative	false	null	0	0.157367	-1.022017	true	[ "halide", "metallic" ]	null
mp-1184667	[ "Ge", "Ir" ]	[ 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 77, 77, 77, 77 ]	16	2	[ [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.75, 0.25 ], [ 0.25, 0.25, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.75, 0.75 ], [ 0.75, 0.25, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 6.4137420654296875, "b": 6.4137420654296875, "c": 6.4137420654296875, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ge3Ir	hard_negative	false	null	0	0.435141	0.222224	true	[ "metallic" ]	null
mp-1184715	[ "Tc", "Gd" ]	[ 64, 64, 64, 64, 43, 43, 43, 43, 43, 43, 43, 43, 43, 43, 43, 43 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ] ]	{ "a": 6.470406532287598, "b": 6.470406532287598, "c": 6.470406532287598, "alpha": 90, "beta": 90, "gamma": 90 }	225	GdTc3	hard_negative	false	null	0	0.218302	0.218302	true	[ "metallic" ]	null
mp-1184748	[ "F", "Ir" ]	[ 77, 77, 77, 77, 77, 77, 77, 77, 77, 77, 77, 77, 9, 9, 9, 9 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 6.047770023345947, "b": 6.047770023345947, "c": 6.047770023345947, "alpha": 90, "beta": 90, "gamma": 90 }	225	Ir3F	hard_negative	false	null	0	0.770846	0.275623	true	[ "halide", "metallic" ]	null
mp-1184752	[ "Ge", "In" ]	[ 49, 49, 49, 49, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ] ]	{ "a": 7.001726150512695, "b": 7.001726150512695, "c": 7.001726150512695, "alpha": 90, "beta": 90, "gamma": 90 }	225	InGe3	hard_negative	false	null	0	0.299981	0.299981	true	[ "metallic" ]	null
mp-1184851	[ "K", "Ga" ]	[ 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 31, 31, 31, 31 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 9.067033767700195, "b": 9.067033767700195, "c": 9.067033767700195, "alpha": 90, "beta": 90, "gamma": 90 }	225	K3Ga	hard_negative	false	null	0	0.243518	0.18598	true	[ "metallic" ]	null
mp-1184854	[ "K", "Ge" ]	[ 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 32, 32, 32, 32 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 8.622021675109863, "b": 8.622021675109863, "c": 8.622021675109863, "alpha": 90, "beta": 90, "gamma": 90 }	225	K3Ge	hard_negative	false	null	0	0.247994	0.146922	true	[ "metallic" ]	null
mp-1184861	[ "Be", "K" ]	[ 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 4, 4, 4, 4 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 8.967052459716797, "b": 8.967052459716797, "c": 8.967052459716797, "alpha": 90, "beta": 90, "gamma": 90 }	225	K3Be	hard_negative	false	null	0	0.671769	0.671769	true	[ "metallic" ]	null
mp-1184862	[ "Mg", "K" ]	[ 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 12, 12, 12, 12 ]	16	2	[ [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0.75, 0.25 ], [ 0.25, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.75 ], [ 0.75, 0.25, 0.75 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 9.534538269042969, "b": 9.534538269042969, "c": 9.534538269042969, "alpha": 90, "beta": 90, "gamma": 90 }	225	K3Mg	hard_negative	false	null	0	0.146045	0.146045	true	[ "metallic" ]	null
mp-1184863	[ "K", "Mo" ]	[ 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 42, 42, 42, 42 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 9.247712135314941, "b": 9.247712135314941, "c": 9.247712135314941, "alpha": 90, "beta": 90, "gamma": 90 }	225	K3Mo	hard_negative	false	null	0	1.166261	1.166261	true	[ "metallic" ]	null
mp-1184873	[ "K", "Cr" ]	[ 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 24, 24, 24, 24 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 9.283244132995605, "b": 9.283244132995605, "c": 9.283244132995605, "alpha": 90, "beta": 90, "gamma": 90 }	225	K3Cr	hard_negative	false	null	0	0.662162	0.662162	true	[ "metallic" ]	null
mp-1184876	[ "Li", "K" ]	[ 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 3, 3, 3, 3 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 9.692970275878906, "b": 9.692970275878906, "c": 9.692970275878906, "alpha": 90, "beta": 90, "gamma": 90 }	225	K3Li	hard_negative	true	4	0	0.113305	0.113305	true	[ "li", "metallic" ]	null
mp-1184877	[ "K", "Ca" ]	[ 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 20, 20, 20, 20 ]	16	2	[ [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.75, 0.25 ], [ 0.25, 0.25, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.75, 0.75 ], [ 0.75, 0.25, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 10.068304061889648, "b": 10.068304061889648, "c": 10.068304061889648, "alpha": 90, "beta": 90, "gamma": 90 }	225	K3Ca	hard_negative	false	null	0	0.158006	0.158006	true	[ "metallic" ]	null
mp-1184880	[ "K", "Hf" ]	[ 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 72, 72, 72, 72 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 9.185108184814453, "b": 9.185108184814453, "c": 9.185108184814453, "alpha": 90, "beta": 90, "gamma": 90 }	225	K3Hf	hard_negative	false	null	0	1.127376	1.127376	true	[ "metallic" ]	null
mp-1184884	[ "K", "Dy" ]	[ 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 66, 66, 66, 66 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 9.71323013305664, "b": 9.71323013305664, "c": 9.71323013305664, "alpha": 90, "beta": 90, "gamma": 90 }	225	K3Dy	hard_negative	false	null	0	0.595461	0.595461	true	[ "metallic" ]	null
mp-1184886	[ "K", "Mn" ]	[ 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 25, 25, 25, 25 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 9.184430122375488, "b": 9.184430122375488, "c": 9.184430122375488, "alpha": 90, "beta": 90, "gamma": 90 }	225	K3Mn	hard_negative	false	null	0	0.650281	0.650281	true	[ "metallic" ]	null
mp-1184887	[ "K", "Ba" ]	[ 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 56, 56, 56, 56 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 10.487257957458496, "b": 10.487257957458496, "c": 10.487257957458496, "alpha": 90, "beta": 90, "gamma": 90 }	225	K3Ba	hard_negative	false	null	0	0.144787	0.144787	true	[ "metallic" ]	null
mp-1184893	[ "Na", "K" ]	[ 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 11, 11, 11, 11 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 10.145379066467285, "b": 10.145379066467285, "c": 10.145379066467285, "alpha": 90, "beta": 90, "gamma": 90 }	225	K3Na	hard_negative	false	null	0	0.027304	0.027304	true	[ "metallic" ]	null
mp-1184895	[ "K", "Er" ]	[ 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 68, 68, 68, 68 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 9.719043731689453, "b": 9.719043731689453, "c": 9.719043731689453, "alpha": 90, "beta": 90, "gamma": 90 }	225	K3Er	hard_negative	false	null	0	0.587249	0.587249	true	[ "metallic" ]	null
mp-1184896	[ "K", "Os" ]	[ 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 76, 76, 76, 76 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 8.285196304321289, "b": 8.285196304321289, "c": 8.285196304321289, "alpha": 90, "beta": 90, "gamma": 90 }	225	K3Os	hard_negative	false	null	0	1.346527	1.346527	true	[ "metallic" ]	null
mp-1184917	[ "K", "Eu" ]	[ 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 63, 63, 63, 63 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 10.183930397033691, "b": 10.183930397033691, "c": 10.183930397033691, "alpha": 90, "beta": 90, "gamma": 90 }	225	K3Eu	hard_negative	false	null	0	0.191449	0.191449	true	[ "metallic" ]	null
mp-1184921	[ "In", "Pb" ]	[ 49, 49, 49, 49, 49, 49, 49, 49, 49, 49, 49, 49, 82, 82, 82, 82 ]	16	2	[ [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 7.675662994384766, "b": 7.675662994384766, "c": 7.675662994384766, "alpha": 90, "beta": 90, "gamma": 90 }	225	In3Pb	hard_negative	false	null	0	0.065575	0.065575	true	[ "metallic" ]	null
mp-1184961	[ "Li", "K" ]	[ 19, 19, 19, 19, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ] ]	{ "a": 8.042045593261719, "b": 8.042045593261719, "c": 8.042045593261719, "alpha": 90, "beta": 90, "gamma": 90 }	225	KLi3	hard_negative	true	12	0	0.183997	0.183997	true	[ "li", "metallic" ]	null
mp-1184962	[ "K", "Cd" ]	[ 19, 19, 19, 19, 48, 48, 48, 48, 48, 48, 48, 48, 48, 48, 48, 48 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ] ]	{ "a": 7.821485996246338, "b": 7.821485996246338, "c": 7.821485996246338, "alpha": 90, "beta": 90, "gamma": 90 }	225	KCd3	hard_negative	false	null	0	0.11431	0.010786	true	[ "metallic" ]	null
mp-1184990	[ "Mg", "K" ]	[ 19, 19, 19, 19, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.75 ] ]	{ "a": 7.8153839111328125, "b": 7.8153839111328125, "c": 7.8153839111328125, "alpha": 90, "beta": 90, "gamma": 90 }	225	KMg3	hard_negative	false	null	0	0.23192	0.23192	true	[ "metallic" ]	null
mp-1184994	[ "K", "Hg" ]	[ 19, 19, 19, 19, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ] ]	{ "a": 7.800249099731445, "b": 7.800249099731445, "c": 7.800249099731445, "alpha": 90, "beta": 90, "gamma": 90 }	225	KHg3	hard_negative	false	null	0	0.034404	-0.217998	true	[ "metallic" ]	null
mp-1185000	[ "K", "Ru" ]	[ 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 44, 44, 44, 44 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 8.513595581054688, "b": 8.513595581054688, "c": 8.513595581054688, "alpha": 90, "beta": 90, "gamma": 90 }	225	K3Ru	hard_negative	false	null	0	1.049559	1.049559	true	[ "metallic" ]	null
mp-1185016	[ "K", "Ca" ]	[ 19, 19, 19, 19, 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 20 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ] ]	{ "a": 9.071948051452637, "b": 9.071948051452637, "c": 9.071948051452637, "alpha": 90, "beta": 90, "gamma": 90 }	225	KCa3	hard_negative	false	null	0	0.174958	0.174958	true	[ "metallic" ]	null
mp-1185019	[ "K", "Yb" ]	[ 19, 19, 19, 19, 70, 70, 70, 70, 70, 70, 70, 70, 70, 70, 70, 70 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ] ]	{ "a": 8.118293762207031, "b": 8.118293762207031, "c": 8.118293762207031, "alpha": 90, "beta": 90, "gamma": 90 }	225	KYb3	hard_negative	false	null	0	0.630412	0.630412	true	[ "metallic" ]	null
mp-1185022	[ "K", "Ta" ]	[ 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 73, 73, 73, 73 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 9.015640258789062, "b": 9.015640258789062, "c": 9.015640258789062, "alpha": 90, "beta": 90, "gamma": 90 }	225	K3Ta	hard_negative	false	null	0	1.410685	1.410685	true	[ "metallic" ]	null
mp-1185024	[ "Ag", "La" ]	[ 57, 57, 57, 57, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ] ]	{ "a": 7.141023635864258, "b": 7.141023635864258, "c": 7.141023635864258, "alpha": 90, "beta": 90, "gamma": 90 }	225	LaAg3	hard_negative	false	null	0	0.073334	-0.17486	true	[ "metallic" ]	null
mp-1185029	[ "K", "Zn" ]	[ 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 30, 30, 30, 30 ]	16	2	[ [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.75, 0.25 ], [ 0.25, 0.25, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.75, 0.75 ], [ 0.75, 0.25, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 9.387222290039062, "b": 9.387222290039062, "c": 9.387222290039062, "alpha": 90, "beta": 90, "gamma": 90 }	225	K3Zn	hard_negative	false	null	0	0.171255	0.145567	true	[ "metallic" ]	null
mp-1185030	[ "K", "Tc" ]	[ 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 43, 43, 43, 43 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 8.945398330688477, "b": 8.945398330688477, "c": 8.945398330688477, "alpha": 90, "beta": 90, "gamma": 90 }	225	K3Tc	hard_negative	false	null	0	1.195123	1.195123	true	[ "metallic" ]	null
mp-1185033	[ "K", "Ac" ]	[ 19, 19, 19, 19, 89, 89, 89, 89, 89, 89, 89, 89, 89, 89, 89, 89 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ] ]	{ "a": 9.185370445251465, "b": 9.185370445251465, "c": 9.185370445251465, "alpha": 90, "beta": 90, "gamma": 90 }	225	KAc3	hard_negative	false	null	0	0.342444	0.342444	true	[ "metallic" ]	null
mp-1185054	[ "K", "In" ]	[ 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 49, 49, 49, 49 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 9.225855827331543, "b": 9.225855827331543, "c": 9.225855827331543, "alpha": 90, "beta": 90, "gamma": 90 }	225	K3In	hard_negative	false	null	0	0.138345	0.080971	true	[ "metallic" ]	null
mp-1185057	[ "K", "Yb" ]	[ 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 70, 70, 70, 70 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 9.75367546081543, "b": 9.75367546081543, "c": 9.75367546081543, "alpha": 90, "beta": 90, "gamma": 90 }	225	K3Yb	hard_negative	false	null	0	0.634816	0.634816	true	[ "metallic" ]	null
mp-1185072	[ "K", "Ba" ]	[ 19, 19, 19, 19, 56, 56, 56, 56, 56, 56, 56, 56, 56, 56, 56, 56 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ] ]	{ "a": 10.260332107543945, "b": 10.260332107543945, "c": 10.260332107543945, "alpha": 90, "beta": 90, "gamma": 90 }	225	KBa3	hard_negative	false	null	0	0.11727	0.11727	true	[ "metallic" ]	null
mp-1185073	[ "K", "Tb" ]	[ 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 65, 65, 65, 65 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 9.725164413452148, "b": 9.725164413452148, "c": 9.725164413452148, "alpha": 90, "beta": 90, "gamma": 90 }	225	K3Tb	hard_negative	false	null	0	0.595481	0.595481	true	[ "metallic" ]	null
mp-1185079	[ "K", "Tm" ]	[ 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 69, 69, 69, 69 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 9.66324234008789, "b": 9.66324234008789, "c": 9.66324234008789, "alpha": 90, "beta": 90, "gamma": 90 }	225	K3Tm	hard_negative	false	null	0	0.58349	0.58349	true	[ "metallic" ]	null
mp-1185090	[ "K", "Rb" ]	[ 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 37, 37, 37, 37 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 10.90420913696289, "b": 10.90420913696289, "c": 10.90420913696289, "alpha": 90, "beta": 90, "gamma": 90 }	225	K3Rb	hard_negative	false	null	0	0.03212	0.03212	true	[ "metallic" ]	null
mp-1185095	[ "K", "Y" ]	[ 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 39, 39, 39, 39 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 9.754776000976562, "b": 9.754776000976562, "c": 9.754776000976562, "alpha": 90, "beta": 90, "gamma": 90 }	225	K3Y	hard_negative	false	null	0	0.578555	0.578555	true	[ "metallic" ]	null
mp-1185104	[ "K", "In" ]	[ 19, 19, 19, 19, 49, 49, 49, 49, 49, 49, 49, 49, 49, 49, 49, 49 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.75, 0.25 ], [ 0.25, 0.25, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.75, 0.75 ], [ 0.75, 0.25, 0.75 ], [ 0, 0.5, 0 ] ]	{ "a": 7.8235979080200195, "b": 7.8235979080200195, "c": 7.8235979080200195, "alpha": 90, "beta": 90, "gamma": 90 }	225	KIn3	hard_negative	false	null	0	0.109318	-0.016859	true	[ "metallic" ]	null
mp-1185107	[ "K", "Rb" ]	[ 19, 19, 19, 19, 37, 37, 37, 37, 37, 37, 37, 37, 37, 37, 37, 37 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.25 ], [ 0.25, 0.25, 0.25 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.75 ], [ 0.75, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0, 0.5, 0 ] ]	{ "a": 11.292593955993652, "b": 11.292593955993652, "c": 11.292593955993652, "alpha": 90, "beta": 90, "gamma": 90 }	225	KRb3	hard_negative	false	null	0	0.023104	0.023104	true	[ "metallic" ]	null
mp-1185115	[ "K", "Eu" ]	[ 19, 19, 19, 19, 63, 63, 63, 63, 63, 63, 63, 63, 63, 63, 63, 63 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ] ]	{ "a": 9.330521583557129, "b": 9.330521583557129, "c": 9.330521583557129, "alpha": 90, "beta": 90, "gamma": 90 }	225	KEu3	hard_negative	false	null	0	0.198343	0.198343	true	[ "metallic" ]	null
mp-1185141	[ "K", "Th" ]	[ 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 90, 90, 90, 90 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 9.57699203491211, "b": 9.57699203491211, "c": 9.57699203491211, "alpha": 90, "beta": 90, "gamma": 90 }	225	K3Th	hard_negative	false	null	0	0.958335	0.958335	true	[ "metallic" ]	null
mp-1185162	[ "La", "Yb" ]	[ 57, 57, 57, 57, 70, 70, 70, 70, 70, 70, 70, 70, 70, 70, 70, 70 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ] ]	{ "a": 7.988282203674316, "b": 7.988282203674316, "c": 7.988282203674316, "alpha": 90, "beta": 90, "gamma": 90 }	225	LaYb3	hard_negative	false	null	0	0.071768	0.071768	true	[ "metallic" ]	null
mp-1185184	[ "Li", "Nb" ]	[ 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 41, 41, 41, 41 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 6.350607872009277, "b": 6.350607872009277, "c": 6.350607872009277, "alpha": 90, "beta": 90, "gamma": 90 }	225	Li3Nb	hard_negative	true	12	0	0.699095	0.699095	true	[ "li", "metallic" ]	null
mp-1185185	[ "Li", "Cr" ]	[ 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 24, 24, 24, 24 ]	16	2	[ [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0.75, 0.25 ], [ 0.25, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.75 ], [ 0.75, 0.25, 0.75 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 6.643330097198486, "b": 6.643330097198486, "c": 6.643330097198486, "alpha": 90, "beta": 90, "gamma": 90 }	225	Li3Cr	hard_negative	true	12	0	0.406402	0.406402	true	[ "li", "metallic" ]	null
mp-1185191	[ "Li", "Pm" ]	[ 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 61, 61, 61, 61 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 7.286210060119629, "b": 7.286210060119629, "c": 7.286210060119629, "alpha": 90, "beta": 90, "gamma": 90 }	225	Li3Pm	hard_negative	true	12	0	0.203587	0.203587	true	[ "li", "metallic" ]	null
mp-1185192	[ "Li", "La" ]	[ 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 57, 57, 57, 57 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 7.446348190307617, "b": 7.446348190307617, "c": 7.446348190307617, "alpha": 90, "beta": 90, "gamma": 90 }	225	Li3La	hard_negative	true	12	0	0.201263	0.201263	true	[ "li", "metallic" ]	null
mp-1185222	[ "Li", "Eu" ]	[ 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 63, 63, 63, 63 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 7.741581916809082, "b": 7.741581916809082, "c": 7.741581916809082, "alpha": 90, "beta": 90, "gamma": 90 }	225	Li3Eu	hard_negative	true	12	0	0.109701	0.109701	true	[ "li", "metallic" ]	null
mp-1185231	[ "Li", "Ce" ]	[ 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 58, 58, 58, 58 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 7.443108081817627, "b": 7.443108081817627, "c": 7.443108081817627, "alpha": 90, "beta": 90, "gamma": 90 }	225	Li3Ce	hard_negative	true	12	0	0.333634	0.333634	true	[ "li", "metallic" ]	null
mp-1185235	[ "Li", "Rh" ]	[ 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 45, 45, 45, 45 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 5.962821006774902, "b": 5.962821006774902, "c": 5.962821006774902, "alpha": 90, "beta": 90, "gamma": 90 }	225	Li3Rh	hard_negative	true	12	0.0494	0.07197	-0.021033	false	[ "li" ]	null
mp-1185245	[ "Li", "Y" ]	[ 3, 3, 3, 3, 39, 39, 39, 39, 39, 39, 39, 39, 39, 39, 39, 39 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ] ]	{ "a": 7.799704074859619, "b": 7.799704074859619, "c": 7.799704074859619, "alpha": 90, "beta": 90, "gamma": 90 }	225	LiY3	hard_negative	true	4	0	0.192883	0.192883	true	[ "li", "metallic" ]	null
mp-1185265	[ "Li", "Sn" ]	[ 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 50, 50, 50, 50 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 6.543744087219238, "b": 6.543744087219238, "c": 6.543744087219238, "alpha": 90, "beta": 90, "gamma": 90 }	225	Li3Sn	hard_negative	true	12	0	0	-0.385154	true	[ "li", "metallic" ]	null
mp-1185274	[ "Li", "Np" ]	[ 3, 3, 3, 3, 93, 93, 93, 93, 93, 93, 93, 93, 93, 93, 93, 93 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0, 0.5 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0.5, 0 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.5, 0, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0.5, 0.5 ] ]	{ "a": 6.333765983581543, "b": 6.333765983581543, "c": 6.333765983581543, "alpha": 90, "beta": 90, "gamma": 90 }	225	LiNp3	hard_negative	true	4	0	0.440101	0.440101	true	[ "li", "metallic" ]	null
mp-1185286	[ "Li", "Yb" ]	[ 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 70, 70, 70, 70 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 7.09399938583374, "b": 7.09399938583374, "c": 7.09399938583374, "alpha": 90, "beta": 90, "gamma": 90 }	225	Li3Yb	hard_negative	true	12	0	0.247365	0.247365	true	[ "li", "metallic" ]	null
mp-1185295	[ "Li", "Zr" ]	[ 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 40, 40, 40, 40 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 6.6916937828063965, "b": 6.6916937828063965, "c": 6.6916937828063965, "alpha": 90, "beta": 90, "gamma": 90 }	225	Li3Zr	hard_negative	true	12	0	0.443144	0.443144	true	[ "li", "metallic" ]	null
mp-1185410	[ "Li", "Re" ]	[ 3, 3, 3, 3, 75, 75, 75, 75, 75, 75, 75, 75, 75, 75, 75, 75 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.75, 0.25 ], [ 0.25, 0.25, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.75, 0.75 ], [ 0.75, 0.25, 0.75 ], [ 0, 0.5, 0 ] ]	{ "a": 6.105762004852295, "b": 6.105762004852295, "c": 6.105762004852295, "alpha": 90, "beta": 90, "gamma": 90 }	225	LiRe3	hard_negative	true	4	0	0.206928	0.206928	true	[ "li", "metallic" ]	null
mp-1185480	[ "Li", "Pu" ]	[ 3, 3, 3, 3, 94, 94, 94, 94, 94, 94, 94, 94, 94, 94, 94, 94 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ] ]	{ "a": 6.639001846313477, "b": 6.639001846313477, "c": 6.639001846313477, "alpha": 90, "beta": 90, "gamma": 90 }	225	LiPu3	hard_negative	true	4	0	0.793055	0.793055	true	[ "li", "metallic" ]	null
mp-1185487	[ "F", "Lu" ]	[ 71, 71, 71, 71, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ] ]	{ "a": 5.478318214416504, "b": 5.478318214416504, "c": 5.478318214416504, "alpha": 90, "beta": 90, "gamma": 90 }	225	LuF3	general_inorganic	false	null	6.2232	0.390927	-4.058234	false	[ "halide" ]	null
mp-1185499	[ "Ag", "Lu" ]	[ 71, 71, 71, 71, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ] ]	{ "a": 6.763182640075684, "b": 6.763182640075684, "c": 6.763182640075684, "alpha": 90, "beta": 90, "gamma": 90 }	225	LuAg3	hard_negative	false	null	0	0.064846	-0.210256	true	[ "metallic" ]	null
mp-1185502	[ "Mg", "Lu" ]	[ 71, 71, 71, 71, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0.75, 0.25 ], [ 0.25, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.75 ], [ 0.75, 0.25, 0.75 ] ]	{ "a": 7.224864482879639, "b": 7.224864482879639, "c": 7.224864482879639, "alpha": 90, "beta": 90, "gamma": 90 }	225	LuMg3	hard_negative	false	null	0	0.009607	-0.005692	true	[ "metallic" ]	null
mp-1185541	[ "Na", "Cs" ]	[ 55, 55, 55, 55, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ] ]	{ "a": 9.462244033813477, "b": 9.462244033813477, "c": 9.462244033813477, "alpha": 90, "beta": 90, "gamma": 90 }	225	CsNa3	hard_negative	false	null	0	0.082454	0.082454	true	[ "metallic" ]	null
mp-1185554	[ "K", "Cs" ]	[ 55, 55, 55, 55, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ] ]	{ "a": 11.093725204467773, "b": 11.093725204467773, "c": 11.093725204467773, "alpha": 90, "beta": 90, "gamma": 90 }	225	CsK3	hard_negative	false	null	0	0.018123	0.018123	true	[ "metallic" ]	null
mp-1185559	[ "Rb", "Cs" ]	[ 55, 55, 55, 55, 37, 37, 37, 37, 37, 37, 37, 37, 37, 37, 37, 37 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ] ]	{ "a": 11.696831703186035, "b": 11.696831703186035, "c": 11.696831703186035, "alpha": 90, "beta": 90, "gamma": 90 }	225	CsRb3	hard_negative	false	null	0	0.009642	0.009642	true	[ "metallic" ]	null
mp-1185569	[ "Cs", "Eu" ]	[ 55, 55, 55, 55, 63, 63, 63, 63, 63, 63, 63, 63, 63, 63, 63, 63 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ] ]	{ "a": 9.537063598632812, "b": 9.537063598632812, "c": 9.537063598632812, "alpha": 90, "beta": 90, "gamma": 90 }	225	CsEu3	hard_negative	false	null	0	0.271977	0.271977	true	[ "metallic" ]	null
mp-1185667	[ "Na", "Ge" ]	[ 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 32, 32, 32, 32 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 7.425869941711426, "b": 7.425869941711426, "c": 7.425869941711426, "alpha": 90, "beta": 90, "gamma": 90 }	225	Na3Ge	hard_negative	false	null	0	0.078521	-0.028742	true	[ "metallic" ]	null
mp-1185782	[ "Mg", "Ru" ]	[ 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 44, 44, 44, 44 ]	16	2	[ [ 0.75, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.75 ], [ 0.75, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.25 ], [ 0.25, 0.75, 0.75 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0.75, 0.25 ], [ 0.25, 0.25, 0.25 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 6.538809776306152, "b": 6.538809776306152, "c": 6.538809776306152, "alpha": 90, "beta": 90, "gamma": 90 }	225	Mg3Ru	hard_negative	false	null	0	0.113853	0.035622	true	[ "metallic" ]	null
mp-1185800	[ "Mg", "V" ]	[ 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 23, 23, 23, 23 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 6.878061771392822, "b": 6.878061771392822, "c": 6.878061771392822, "alpha": 90, "beta": 90, "gamma": 90 }	225	Mg3V	hard_negative	false	null	0	0.339689	0.339689	true	[ "metallic" ]	null
mp-1185815	[ "Mg", "U" ]	[ 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 92, 92, 92, 92 ]	16	2	[ [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0.75, 0.25 ], [ 0.25, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.75 ], [ 0.75, 0.25, 0.75 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 7.316239833831787, "b": 7.316239833831787, "c": 7.316239833831787, "alpha": 90, "beta": 90, "gamma": 90 }	225	Mg3U	hard_negative	false	null	0	0.459285	0.459285	true	[ "metallic" ]	null
mp-1185872	[ "H", "Mg" ]	[ 12, 12, 12, 12, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0.75, 0.25 ], [ 0.25, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.75 ], [ 0.75, 0.25, 0.75 ] ]	{ "a": 4.705183982849121, "b": 4.705183982849121, "c": 4.705183982849121, "alpha": 90, "beta": 90, "gamma": 90 }	225	MgH3	hard_negative	false	null	0	0.419421	0.207381	true	[ "metallic" ]	null
mp-1185895	[ "Mg", "Mo" ]	[ 12, 12, 12, 12, 42, 42, 42, 42, 42, 42, 42, 42, 42, 42, 42, 42 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.75 ] ]	{ "a": 6.377029895782471, "b": 6.377029895782471, "c": 6.377029895782471, "alpha": 90, "beta": 90, "gamma": 90 }	225	MgMo3	hard_negative	false	null	0	0.376077	0.376077	true	[ "metallic" ]	null
mp-1185897	[ "Mg", "Nb" ]	[ 12, 12, 12, 12, 41, 41, 41, 41, 41, 41, 41, 41, 41, 41, 41, 41 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.75 ] ]	{ "a": 6.688471794128418, "b": 6.688471794128418, "c": 6.688471794128418, "alpha": 90, "beta": 90, "gamma": 90 }	225	MgNb3	hard_negative	false	null	0	0.271923	0.271923	true	[ "metallic" ]	null
mp-1185924	[ "Mn", "Re" ]	[ 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 75, 75, 75, 75 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 5.821844100952148, "b": 5.821844100952148, "c": 5.821844100952148, "alpha": 90, "beta": 90, "gamma": 90 }	225	Mn3Re	hard_negative	false	null	0	0.059815	0.059815	true	[ "metallic" ]	null
mp-1185933	[ "Mn", "Cd" ]	[ 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 48, 48, 48, 48 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 6.324162006378174, "b": 6.324162006378174, "c": 6.324162006378174, "alpha": 90, "beta": 90, "gamma": 90 }	225	Mn3Cd	hard_negative	false	null	0	0.527204	0.527204	true	[ "metallic" ]	null
mp-1185950	[ "Mn", "Sb" ]	[ 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 51, 51, 51, 51 ]	16	2	[ [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0, 0, 0 ], [ 0.25, 0.75, 0.25 ], [ 0.25, 0.25, 0.25 ], [ 0, 0.5, 0.5 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.5, 0, 0.5 ], [ 0.75, 0.75, 0.75 ], [ 0.75, 0.25, 0.75 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ] ]	{ "a": 5.98824405670166, "b": 5.98824405670166, "c": 5.98824405670166, "alpha": 90, "beta": 90, "gamma": 90 }	225	Mn3Sb	hard_negative	false	null	0	0.112574	-0.048984	true	[ "metallic" ]	null
mp-1185977	[ "Mg", "Ta" ]	[ 12, 12, 12, 12, 73, 73, 73, 73, 73, 73, 73, 73, 73, 73, 73, 73 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.75 ] ]	{ "a": 6.669000148773193, "b": 6.669000148773193, "c": 6.669000148773193, "alpha": 90, "beta": 90, "gamma": 90 }	225	MgTa3	hard_negative	false	null	0	0.321435	0.321435	true	[ "metallic" ]	null
mp-1185979	[ "Mn", "Zn" ]	[ 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 30, 30, 30, 30 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 5.8258538246154785, "b": 5.8258538246154785, "c": 5.8258538246154785, "alpha": 90, "beta": 90, "gamma": 90 }	225	Mn3Zn	hard_negative	false	null	0	0.203603	0.164531	true	[ "metallic" ]	null
mp-1185982	[ "Mg", "Tl" ]	[ 12, 12, 12, 12, 81, 81, 81, 81, 81, 81, 81, 81, 81, 81, 81, 81 ]	16	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.75 ] ]	{ "a": 7.71707820892334, "b": 7.71707820892334, "c": 7.71707820892334, "alpha": 90, "beta": 90, "gamma": 90 }	225	MgTl3	hard_negative	false	null	0	0.084746	0.076252	true	[ "metallic" ]	null
mp-1185993	[ "Mn", "Te" ]	[ 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 52, 52, 52, 52 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 5.9743218421936035, "b": 5.9743218421936035, "c": 5.9743218421936035, "alpha": 90, "beta": 90, "gamma": 90 }	225	Mn3Te	hard_negative	false	null	0	0.300594	-0.00514	true	[ "metallic" ]	null
mp-1185997	[ "Na", "Tc" ]	[ 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 43, 43, 43, 43 ]	16	2	[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 7.564169883728027, "b": 7.564169883728027, "c": 7.564169883728027, "alpha": 90, "beta": 90, "gamma": 90 }	225	Na3Tc	hard_negative	false	null	0	0.998508	0.998508	true	[ "metallic" ]	null

mp-1184340

[ "V", "Eu" ]

[ 63, 63, 63, 63, 63, 63, 63, 63, 63, 63, 63, 63, 23, 23, 23, 23 ]

16

2

[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]

{ "a": 8.123140335083008, "b": 8.123140335083008, "c": 8.123140335083008, "alpha": 90, "beta": 90, "gamma": 90 }

225

Eu3V

hard_negative

false

null

0

0.474174

true

[ "metallic" ]

null

mp-1184344

[ "Ga", "Pb" ]

[ 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 31, 82, 82, 82, 82 ]

16

2

[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]

{ "a": 7.204463958740234, "b": 7.204463958740234, "c": 7.204463958740234, "alpha": 90, "beta": 90, "gamma": 90 }

225

Ga3Pb

hard_negative

false

null

0

0.092951

true

[ "metallic" ]

null

mp-1184364

[ "Fe", "Rh" ]

[ 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 26, 45, 45, 45, 45 ]

16

2

[ [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0, 0, 0 ], [ 0.75, 0.25, 0.25 ], [ 0.25, 0.75, 0.75 ], [ 0, 0.5, 0.5 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.5, 0, 0.5 ], [ 0.25, 0.25, 0.75 ], [ 0.75, 0.75, 0.25 ], [ 0.5, 0.5, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0.5, 0 ], [ 0, 0, 0.5 ] ]

{ "a": 5.860806941986084, "b": 5.860806941986084, "c": 5.860806941986084, "alpha": 90, "beta": 90, "gamma": 90 }

225

Fe3Rh

hard_negative

false

null

0

-0.022205

true

[ "metallic" ]

null

mp-1184365

[ "Eu", "Au" ]

[ 63, 63, 63, 63, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79 ]

16

2

[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ] ]

{ "a": 7.087828159332275, "b": 7.087828159332275, "c": 7.087828159332275, "alpha": 90, "beta": 90, "gamma": 90 }

225

EuAu3

hard_negative

false

null

0

0.059975

-0.526885

true

[ "metallic" ]

null

mp-1184379

[ "Eu", "Th" ]

[ 63, 63, 63, 63, 63, 63, 63, 63, 63, 63, 63, 63, 90, 90, 90, 90 ]

16

2

[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]

{ "a": 8.470447540283203, "b": 8.470447540283203, "c": 8.470447540283203, "alpha": 90, "beta": 90, "gamma": 90 }

225

Eu3Th

hard_negative

false

null

0

0.246721

true

[ "metallic" ]

null

mp-1184433

[ "Eu", "Ta" ]

[ 63, 63, 63, 63, 63, 63, 63, 63, 63, 63, 63, 63, 73, 73, 73, 73 ]

16

2

[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]

{ "a": 8.103236198425293, "b": 8.103236198425293, "c": 8.103236198425293, "alpha": 90, "beta": 90, "gamma": 90 }

225

Eu3Ta

hard_negative

false

null

0

0.695312

true

[ "metallic" ]

null

mp-1184446

[ "Tc", "Eu" ]

[ 63, 63, 63, 63, 63, 63, 63, 63, 63, 63, 63, 63, 43, 43, 43, 43 ]

16

2

[ [ 0.75, 0.75, 0.25 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]

{ "a": 7.693920135498047, "b": 7.693920135498047, "c": 7.693920135498047, "alpha": 90, "beta": 90, "gamma": 90 }

225

Eu3Tc

hard_negative

false

null

0

0.45058

true

[ "metallic" ]

null

mp-1184456

[ "Eu", "U" ]

[ 63, 63, 63, 63, 63, 63, 63, 63, 63, 63, 63, 63, 92, 92, 92, 92 ]

16

2

[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]

{ "a": 8.825736045837402, "b": 8.825736045837402, "c": 8.825736045837402, "alpha": 90, "beta": 90, "gamma": 90 }

225

Eu3U

hard_negative

false

null

0

0.647893

true

[ "metallic" ]

null

mp-1184492

[ "B", "In" ]

[ 49, 49, 49, 49, 49, 49, 49, 49, 49, 49, 49, 49, 5, 5, 5, 5 ]

16

2

[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]

{ "a": 7.132142066955566, "b": 7.132142066955566, "c": 7.132142066955566, "alpha": 90, "beta": 90, "gamma": 90 }

225

In3B

hard_negative

false

null

0

0.9109

true

[ "metallic" ]

null

mp-1184555

[ "B", "Ge" ]

[ 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 5, 5, 5, 5 ]

16

2

[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]

{ "a": 6.420251846313477, "b": 6.420251846313477, "c": 6.420251846313477, "alpha": 90, "beta": 90, "gamma": 90 }

225

Ge3B

hard_negative

false

null

0

0.984135

true

[ "metallic" ]

null

mp-1184556

[ "H", "Ge" ]

[ 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 1, 1, 1, 1 ]

16

2

[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]

{ "a": 6.310309886932373, "b": 6.310309886932373, "c": 6.310309886932373, "alpha": 90, "beta": 90, "gamma": 90 }

225

Ge3H

hard_negative

false

null

0

0.551115

0.539989

true

[ "metallic" ]

null

mp-1184561

[ "Ge", "As" ]

[ 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 33, 33, 33, 33 ]

16

2

[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]

{ "a": 6.776303768157959, "b": 6.776303768157959, "c": 6.776303768157959, "alpha": 90, "beta": 90, "gamma": 90 }

225

Ge3As

hard_negative

false

null

0

0.363903

0.333755

true

[ "metallic" ]

null

mp-1184574

[ "P", "Hg" ]

[ 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 15, 15, 15, 15 ]

16

2

[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]

{ "a": 7.172619819641113, "b": 7.172619819641113, "c": 7.172619819641113, "alpha": 90, "beta": 90, "gamma": 90 }

225

Hg3P

hard_negative

false

null

0

0.449327

true

[ "metallic" ]

null

mp-1184584

[ "Ge", "Au" ]

[ 32, 32, 32, 32, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79 ]

16

2

[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ] ]

{ "a": 6.5828423500061035, "b": 6.5828423500061035, "c": 6.5828423500061035, "alpha": 90, "beta": 90, "gamma": 90 }

225

GeAu3

hard_negative

false

null

0

0.132718

true

[ "metallic" ]

null

mp-1184598

[ "H", "Os" ]

[ 1, 1, 1, 1, 76, 76, 76, 76, 76, 76, 76, 76, 76, 76, 76, 76 ]

16

2

[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ] ]

{ "a": 5.913099765777588, "b": 5.913099765777588, "c": 5.913099765777588, "alpha": 90, "beta": 90, "gamma": 90 }

225

HOs3

hard_negative

false

null

0

0.938165

true

[ "metallic" ]

null

mp-1184605

[ "Cl", "Hg" ]

[ 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 17, 17, 17, 17 ]

16

2

[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]

{ "a": 7.549332141876221, "b": 7.549332141876221, "c": 7.549332141876221, "alpha": 90, "beta": 90, "gamma": 90 }

225

Hg3Cl

hard_negative

false

null

0

0.194445

-0.116181

true

[ "halide", "metallic" ]

null

mp-1184651

[ "Sb", "Hg" ]

[ 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 51, 51, 51, 51 ]

16

2

[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]

{ "a": 7.519792079925537, "b": 7.519792079925537, "c": 7.519792079925537, "alpha": 90, "beta": 90, "gamma": 90 }

225

Hg3Sb

hard_negative

false

null

0

0.117228

true

[ "metallic" ]

null

mp-1184652

[ "Ge", "Os" ]

[ 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 76, 76, 76, 76 ]

16

2

[ [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.75, 0.25 ], [ 0.25, 0.25, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.75, 0.75 ], [ 0.75, 0.25, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]

{ "a": 6.388177871704102, "b": 6.388177871704102, "c": 6.388177871704102, "alpha": 90, "beta": 90, "gamma": 90 }

225

Ge3Os

hard_negative

false

null

0

0.517446

0.454837

true

[ "metallic" ]

null

mp-1184655

[ "F", "Hg" ]

[ 80, 80, 80, 80, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9 ]

16

2

[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ] ]

{ "a": 5.72634220123291, "b": 5.72634220123291, "c": 5.72634220123291, "alpha": 90, "beta": 90, "gamma": 90 }

225

HgF3

hard_negative

false

null

0

0.157367

-1.022017

true

[ "halide", "metallic" ]

null

mp-1184667

[ "Ge", "Ir" ]

[ 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 77, 77, 77, 77 ]

16

2

[ [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.75, 0.25 ], [ 0.25, 0.25, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.75, 0.75 ], [ 0.75, 0.25, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]

{ "a": 6.4137420654296875, "b": 6.4137420654296875, "c": 6.4137420654296875, "alpha": 90, "beta": 90, "gamma": 90 }

225

Ge3Ir

hard_negative

false

null

0

0.435141

0.222224

true

[ "metallic" ]

null

mp-1184715

[ "Tc", "Gd" ]

[ 64, 64, 64, 64, 43, 43, 43, 43, 43, 43, 43, 43, 43, 43, 43, 43 ]

16

2

[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ] ]

{ "a": 6.470406532287598, "b": 6.470406532287598, "c": 6.470406532287598, "alpha": 90, "beta": 90, "gamma": 90 }

225

GdTc3

hard_negative

false

null

0

0.218302

true

[ "metallic" ]

null

mp-1184748

[ "F", "Ir" ]

[ 77, 77, 77, 77, 77, 77, 77, 77, 77, 77, 77, 77, 9, 9, 9, 9 ]

16

2

[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]

{ "a": 6.047770023345947, "b": 6.047770023345947, "c": 6.047770023345947, "alpha": 90, "beta": 90, "gamma": 90 }

225

Ir3F

hard_negative

false

null

0

0.770846

0.275623

true

[ "halide", "metallic" ]

null

mp-1184752

[ "Ge", "In" ]

[ 49, 49, 49, 49, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32 ]

16

2

[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ] ]

{ "a": 7.001726150512695, "b": 7.001726150512695, "c": 7.001726150512695, "alpha": 90, "beta": 90, "gamma": 90 }

225

InGe3

hard_negative

false

null

0

0.299981

true

[ "metallic" ]

null

mp-1184851

[ "K", "Ga" ]

[ 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 31, 31, 31, 31 ]

16

2

[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]

{ "a": 9.067033767700195, "b": 9.067033767700195, "c": 9.067033767700195, "alpha": 90, "beta": 90, "gamma": 90 }

225

K3Ga

hard_negative

false

null

0

0.243518

0.18598

true

[ "metallic" ]

null

mp-1184854

[ "K", "Ge" ]

[ 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 32, 32, 32, 32 ]

16

2

[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]

{ "a": 8.622021675109863, "b": 8.622021675109863, "c": 8.622021675109863, "alpha": 90, "beta": 90, "gamma": 90 }

225

K3Ge

hard_negative

false

null

0

0.247994

0.146922

true

[ "metallic" ]

null

mp-1184861

[ "Be", "K" ]

[ 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 4, 4, 4, 4 ]

16

2

[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]

{ "a": 8.967052459716797, "b": 8.967052459716797, "c": 8.967052459716797, "alpha": 90, "beta": 90, "gamma": 90 }

225

K3Be

hard_negative

false

null

0

0.671769

true

[ "metallic" ]

null

mp-1184862

[ "Mg", "K" ]

[ 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 12, 12, 12, 12 ]

16

2

[ [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0.75, 0.25 ], [ 0.25, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.75 ], [ 0.75, 0.25, 0.75 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]

{ "a": 9.534538269042969, "b": 9.534538269042969, "c": 9.534538269042969, "alpha": 90, "beta": 90, "gamma": 90 }

225

K3Mg

hard_negative

false

null

0

0.146045

true

[ "metallic" ]

null

mp-1184863

[ "K", "Mo" ]

[ 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 42, 42, 42, 42 ]

16

2

[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]

{ "a": 9.247712135314941, "b": 9.247712135314941, "c": 9.247712135314941, "alpha": 90, "beta": 90, "gamma": 90 }

225

K3Mo

hard_negative

false

null

0

1.166261

true

[ "metallic" ]

null

mp-1184873

[ "K", "Cr" ]

[ 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 24, 24, 24, 24 ]

16

2

[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]

{ "a": 9.283244132995605, "b": 9.283244132995605, "c": 9.283244132995605, "alpha": 90, "beta": 90, "gamma": 90 }

225

K3Cr

hard_negative

false

null

0

0.662162

true

[ "metallic" ]

null

mp-1184876

[ "Li", "K" ]

[ 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 3, 3, 3, 3 ]

16

2

[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]

{ "a": 9.692970275878906, "b": 9.692970275878906, "c": 9.692970275878906, "alpha": 90, "beta": 90, "gamma": 90 }

225

K3Li

hard_negative

true

4

0

0.113305

true

[ "li", "metallic" ]

null

mp-1184877

[ "K", "Ca" ]

[ 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 20, 20, 20, 20 ]

16

2

[ [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.75, 0.25 ], [ 0.25, 0.25, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.75, 0.75 ], [ 0.75, 0.25, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]

{ "a": 10.068304061889648, "b": 10.068304061889648, "c": 10.068304061889648, "alpha": 90, "beta": 90, "gamma": 90 }

225

K3Ca

hard_negative

false

null

0

0.158006

true

[ "metallic" ]

null

mp-1184880

[ "K", "Hf" ]

[ 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 72, 72, 72, 72 ]

16

2

[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]

{ "a": 9.185108184814453, "b": 9.185108184814453, "c": 9.185108184814453, "alpha": 90, "beta": 90, "gamma": 90 }

225

K3Hf

hard_negative

false

null

0

1.127376

true

[ "metallic" ]

null

mp-1184884

[ "K", "Dy" ]

[ 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 66, 66, 66, 66 ]

16

2

[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]

{ "a": 9.71323013305664, "b": 9.71323013305664, "c": 9.71323013305664, "alpha": 90, "beta": 90, "gamma": 90 }

225

K3Dy

hard_negative

false

null

0

0.595461

true

[ "metallic" ]

null

mp-1184886

[ "K", "Mn" ]

[ 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 25, 25, 25, 25 ]

16

2

[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]

{ "a": 9.184430122375488, "b": 9.184430122375488, "c": 9.184430122375488, "alpha": 90, "beta": 90, "gamma": 90 }

225

K3Mn

hard_negative

false

null

0

0.650281

true

[ "metallic" ]

null

mp-1184887

[ "K", "Ba" ]

[ 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 56, 56, 56, 56 ]

16

2

[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]

{ "a": 10.487257957458496, "b": 10.487257957458496, "c": 10.487257957458496, "alpha": 90, "beta": 90, "gamma": 90 }

225

K3Ba

hard_negative

false

null

0

0.144787

true

[ "metallic" ]

null

mp-1184893

[ "Na", "K" ]

[ 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 11, 11, 11, 11 ]

16

2

[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]

{ "a": 10.145379066467285, "b": 10.145379066467285, "c": 10.145379066467285, "alpha": 90, "beta": 90, "gamma": 90 }

225

K3Na

hard_negative

false

null

0

0.027304

true

[ "metallic" ]

null

mp-1184895

[ "K", "Er" ]

[ 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 68, 68, 68, 68 ]

16

2

[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]

{ "a": 9.719043731689453, "b": 9.719043731689453, "c": 9.719043731689453, "alpha": 90, "beta": 90, "gamma": 90 }

225

K3Er

hard_negative

false

null

0

0.587249

true

[ "metallic" ]

null

mp-1184896

[ "K", "Os" ]

[ 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 76, 76, 76, 76 ]

16

2

[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]

{ "a": 8.285196304321289, "b": 8.285196304321289, "c": 8.285196304321289, "alpha": 90, "beta": 90, "gamma": 90 }

225

K3Os

hard_negative

false

null

0

1.346527

true

[ "metallic" ]

null

mp-1184917

[ "K", "Eu" ]

[ 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 63, 63, 63, 63 ]

16

2

[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]

{ "a": 10.183930397033691, "b": 10.183930397033691, "c": 10.183930397033691, "alpha": 90, "beta": 90, "gamma": 90 }

225

K3Eu

hard_negative

false

null

0

0.191449

true

[ "metallic" ]

null

mp-1184921

[ "In", "Pb" ]

[ 49, 49, 49, 49, 49, 49, 49, 49, 49, 49, 49, 49, 82, 82, 82, 82 ]

16

2

[ [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]

{ "a": 7.675662994384766, "b": 7.675662994384766, "c": 7.675662994384766, "alpha": 90, "beta": 90, "gamma": 90 }

225

In3Pb

hard_negative

false

null

0

0.065575

true

[ "metallic" ]

null

mp-1184961

[ "Li", "K" ]

[ 19, 19, 19, 19, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3 ]

16

2

[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ] ]

{ "a": 8.042045593261719, "b": 8.042045593261719, "c": 8.042045593261719, "alpha": 90, "beta": 90, "gamma": 90 }

225

KLi3

hard_negative

true

12

0

0.183997

true

[ "li", "metallic" ]

null

mp-1184962

[ "K", "Cd" ]

[ 19, 19, 19, 19, 48, 48, 48, 48, 48, 48, 48, 48, 48, 48, 48, 48 ]

16

2

[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ] ]

{ "a": 7.821485996246338, "b": 7.821485996246338, "c": 7.821485996246338, "alpha": 90, "beta": 90, "gamma": 90 }

225

KCd3

hard_negative

false

null

0

0.11431

0.010786

true

[ "metallic" ]

null

mp-1184990

[ "Mg", "K" ]

[ 19, 19, 19, 19, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12 ]

16

2

[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.75 ] ]

{ "a": 7.8153839111328125, "b": 7.8153839111328125, "c": 7.8153839111328125, "alpha": 90, "beta": 90, "gamma": 90 }

225

KMg3

hard_negative

false

null

0

0.23192

true

[ "metallic" ]

null

mp-1184994

[ "K", "Hg" ]

[ 19, 19, 19, 19, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80 ]

16

2

[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ] ]

{ "a": 7.800249099731445, "b": 7.800249099731445, "c": 7.800249099731445, "alpha": 90, "beta": 90, "gamma": 90 }

225

KHg3

hard_negative

false

null

0

0.034404

-0.217998

true

[ "metallic" ]

null

mp-1185000

[ "K", "Ru" ]

[ 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 44, 44, 44, 44 ]

16

2

[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]

{ "a": 8.513595581054688, "b": 8.513595581054688, "c": 8.513595581054688, "alpha": 90, "beta": 90, "gamma": 90 }

225

K3Ru

hard_negative

false

null

0

1.049559

true

[ "metallic" ]

null

mp-1185016

[ "K", "Ca" ]

[ 19, 19, 19, 19, 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 20 ]

16

2

[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ] ]

{ "a": 9.071948051452637, "b": 9.071948051452637, "c": 9.071948051452637, "alpha": 90, "beta": 90, "gamma": 90 }

225

KCa3

hard_negative

false

null

0

0.174958

true

[ "metallic" ]

null

mp-1185019

[ "K", "Yb" ]

[ 19, 19, 19, 19, 70, 70, 70, 70, 70, 70, 70, 70, 70, 70, 70, 70 ]

16

2

[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ] ]

{ "a": 8.118293762207031, "b": 8.118293762207031, "c": 8.118293762207031, "alpha": 90, "beta": 90, "gamma": 90 }

225

KYb3

hard_negative

false

null

0

0.630412

true

[ "metallic" ]

null

mp-1185022

[ "K", "Ta" ]

[ 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 73, 73, 73, 73 ]

16

2

[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]

{ "a": 9.015640258789062, "b": 9.015640258789062, "c": 9.015640258789062, "alpha": 90, "beta": 90, "gamma": 90 }

225

K3Ta

hard_negative

false

null

0

1.410685

true

[ "metallic" ]

null

mp-1185024

[ "Ag", "La" ]

[ 57, 57, 57, 57, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47 ]

16

2

[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ] ]

{ "a": 7.141023635864258, "b": 7.141023635864258, "c": 7.141023635864258, "alpha": 90, "beta": 90, "gamma": 90 }

225

LaAg3

hard_negative

false

null

0

0.073334

-0.17486

true

[ "metallic" ]

null

mp-1185029

[ "K", "Zn" ]

[ 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 30, 30, 30, 30 ]

16

2

[ [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.75, 0.25 ], [ 0.25, 0.25, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.75, 0.75 ], [ 0.75, 0.25, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]

{ "a": 9.387222290039062, "b": 9.387222290039062, "c": 9.387222290039062, "alpha": 90, "beta": 90, "gamma": 90 }

225

K3Zn

hard_negative

false

null

0

0.171255

0.145567

true

[ "metallic" ]

null

mp-1185030

[ "K", "Tc" ]

[ 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 43, 43, 43, 43 ]

16

2

[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]

{ "a": 8.945398330688477, "b": 8.945398330688477, "c": 8.945398330688477, "alpha": 90, "beta": 90, "gamma": 90 }

225

K3Tc

hard_negative

false

null

0

1.195123

true

[ "metallic" ]

null

mp-1185033

[ "K", "Ac" ]

[ 19, 19, 19, 19, 89, 89, 89, 89, 89, 89, 89, 89, 89, 89, 89, 89 ]

16

2

[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ] ]

{ "a": 9.185370445251465, "b": 9.185370445251465, "c": 9.185370445251465, "alpha": 90, "beta": 90, "gamma": 90 }

225

KAc3

hard_negative

false

null

0

0.342444

true

[ "metallic" ]

null

mp-1185054

[ "K", "In" ]

[ 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 49, 49, 49, 49 ]

16

2

[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]

{ "a": 9.225855827331543, "b": 9.225855827331543, "c": 9.225855827331543, "alpha": 90, "beta": 90, "gamma": 90 }

225

K3In

hard_negative

false

null

0

0.138345

0.080971

true

[ "metallic" ]

null

mp-1185057

[ "K", "Yb" ]

[ 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 70, 70, 70, 70 ]

16

2

[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]

{ "a": 9.75367546081543, "b": 9.75367546081543, "c": 9.75367546081543, "alpha": 90, "beta": 90, "gamma": 90 }

225

K3Yb

hard_negative

false

null

0

0.634816

true

[ "metallic" ]

null

mp-1185072

[ "K", "Ba" ]

[ 19, 19, 19, 19, 56, 56, 56, 56, 56, 56, 56, 56, 56, 56, 56, 56 ]

16

2

[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ] ]

{ "a": 10.260332107543945, "b": 10.260332107543945, "c": 10.260332107543945, "alpha": 90, "beta": 90, "gamma": 90 }

225

KBa3

hard_negative

false

null

0

0.11727

true

[ "metallic" ]

null

mp-1185073

[ "K", "Tb" ]

[ 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 65, 65, 65, 65 ]

16

2

[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]

{ "a": 9.725164413452148, "b": 9.725164413452148, "c": 9.725164413452148, "alpha": 90, "beta": 90, "gamma": 90 }

225

K3Tb

hard_negative

false

null

0

0.595481

true

[ "metallic" ]

null

mp-1185079

[ "K", "Tm" ]

[ 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 69, 69, 69, 69 ]

16

2

[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]

{ "a": 9.66324234008789, "b": 9.66324234008789, "c": 9.66324234008789, "alpha": 90, "beta": 90, "gamma": 90 }

225

K3Tm

hard_negative

false

null

0

0.58349

true

[ "metallic" ]

null

mp-1185090

[ "K", "Rb" ]

[ 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 37, 37, 37, 37 ]

16

2

[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]

{ "a": 10.90420913696289, "b": 10.90420913696289, "c": 10.90420913696289, "alpha": 90, "beta": 90, "gamma": 90 }

225

K3Rb

hard_negative

false

null

0

0.03212

true

[ "metallic" ]

null

mp-1185095

[ "K", "Y" ]

[ 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 39, 39, 39, 39 ]

16

2

[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]

{ "a": 9.754776000976562, "b": 9.754776000976562, "c": 9.754776000976562, "alpha": 90, "beta": 90, "gamma": 90 }

225

K3Y

hard_negative

false

null

0

0.578555

true

[ "metallic" ]

null

mp-1185104

[ "K", "In" ]

[ 19, 19, 19, 19, 49, 49, 49, 49, 49, 49, 49, 49, 49, 49, 49, 49 ]

16

2

[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.75, 0.25 ], [ 0.25, 0.25, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.75, 0.75 ], [ 0.75, 0.25, 0.75 ], [ 0, 0.5, 0 ] ]

{ "a": 7.8235979080200195, "b": 7.8235979080200195, "c": 7.8235979080200195, "alpha": 90, "beta": 90, "gamma": 90 }

225

KIn3

hard_negative

false

null

0

0.109318

-0.016859

true

[ "metallic" ]

null

mp-1185107

[ "K", "Rb" ]

[ 19, 19, 19, 19, 37, 37, 37, 37, 37, 37, 37, 37, 37, 37, 37, 37 ]

16

2

[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.25 ], [ 0.25, 0.25, 0.25 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.75 ], [ 0.75, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0, 0.5, 0 ] ]

{ "a": 11.292593955993652, "b": 11.292593955993652, "c": 11.292593955993652, "alpha": 90, "beta": 90, "gamma": 90 }

225

KRb3

hard_negative

false

null

0

0.023104

true

[ "metallic" ]

null

mp-1185115

[ "K", "Eu" ]

[ 19, 19, 19, 19, 63, 63, 63, 63, 63, 63, 63, 63, 63, 63, 63, 63 ]

16

2

[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ] ]

{ "a": 9.330521583557129, "b": 9.330521583557129, "c": 9.330521583557129, "alpha": 90, "beta": 90, "gamma": 90 }

225

KEu3

hard_negative

false

null

0

0.198343

true

[ "metallic" ]

null

mp-1185141

[ "K", "Th" ]

[ 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 90, 90, 90, 90 ]

16

2

[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]

{ "a": 9.57699203491211, "b": 9.57699203491211, "c": 9.57699203491211, "alpha": 90, "beta": 90, "gamma": 90 }

225

K3Th

hard_negative

false

null

0

0.958335

true

[ "metallic" ]

null

mp-1185162

[ "La", "Yb" ]

[ 57, 57, 57, 57, 70, 70, 70, 70, 70, 70, 70, 70, 70, 70, 70, 70 ]

16

2

[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ] ]

{ "a": 7.988282203674316, "b": 7.988282203674316, "c": 7.988282203674316, "alpha": 90, "beta": 90, "gamma": 90 }

225

LaYb3

hard_negative

false

null

0

0.071768

true

[ "metallic" ]

null

mp-1185184

[ "Li", "Nb" ]

[ 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 41, 41, 41, 41 ]

16

2

[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]

{ "a": 6.350607872009277, "b": 6.350607872009277, "c": 6.350607872009277, "alpha": 90, "beta": 90, "gamma": 90 }

225

Li3Nb

hard_negative

true

12

0

0.699095

true

[ "li", "metallic" ]

null

mp-1185185

[ "Li", "Cr" ]

[ 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 24, 24, 24, 24 ]

16

2

[ [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0.75, 0.25 ], [ 0.25, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.75 ], [ 0.75, 0.25, 0.75 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]

{ "a": 6.643330097198486, "b": 6.643330097198486, "c": 6.643330097198486, "alpha": 90, "beta": 90, "gamma": 90 }

225

Li3Cr

hard_negative

true

12

0

0.406402

true

[ "li", "metallic" ]

null

mp-1185191

[ "Li", "Pm" ]

[ 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 61, 61, 61, 61 ]

16

2

[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]

{ "a": 7.286210060119629, "b": 7.286210060119629, "c": 7.286210060119629, "alpha": 90, "beta": 90, "gamma": 90 }

225

Li3Pm

hard_negative

true

12

0

0.203587

true

[ "li", "metallic" ]

null

mp-1185192

[ "Li", "La" ]

[ 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 57, 57, 57, 57 ]

16

2

[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]

{ "a": 7.446348190307617, "b": 7.446348190307617, "c": 7.446348190307617, "alpha": 90, "beta": 90, "gamma": 90 }

225

Li3La

hard_negative

true

12

0

0.201263

true

[ "li", "metallic" ]

null

mp-1185222

[ "Li", "Eu" ]

[ 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 63, 63, 63, 63 ]

16

2

[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]

{ "a": 7.741581916809082, "b": 7.741581916809082, "c": 7.741581916809082, "alpha": 90, "beta": 90, "gamma": 90 }

225

Li3Eu

hard_negative

true

12

0

0.109701

true

[ "li", "metallic" ]

null

mp-1185231

[ "Li", "Ce" ]

[ 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 58, 58, 58, 58 ]

16

2

[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]

{ "a": 7.443108081817627, "b": 7.443108081817627, "c": 7.443108081817627, "alpha": 90, "beta": 90, "gamma": 90 }

225

Li3Ce

hard_negative

true

12

0

0.333634

true

[ "li", "metallic" ]

null

mp-1185235

[ "Li", "Rh" ]

[ 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 45, 45, 45, 45 ]

16

2

[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]

{ "a": 5.962821006774902, "b": 5.962821006774902, "c": 5.962821006774902, "alpha": 90, "beta": 90, "gamma": 90 }

225

Li3Rh

hard_negative

true

12

0.0494

0.07197

-0.021033

false

[ "li" ]

null

mp-1185245

[ "Li", "Y" ]

[ 3, 3, 3, 3, 39, 39, 39, 39, 39, 39, 39, 39, 39, 39, 39, 39 ]

16

2

[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ] ]

{ "a": 7.799704074859619, "b": 7.799704074859619, "c": 7.799704074859619, "alpha": 90, "beta": 90, "gamma": 90 }

225

LiY3

hard_negative

true

4

0

0.192883

true

[ "li", "metallic" ]

null

mp-1185265

[ "Li", "Sn" ]

[ 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 50, 50, 50, 50 ]

16

2

[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]

{ "a": 6.543744087219238, "b": 6.543744087219238, "c": 6.543744087219238, "alpha": 90, "beta": 90, "gamma": 90 }

225

Li3Sn

hard_negative

true

12

0

-0.385154

true

[ "li", "metallic" ]

null

mp-1185274

[ "Li", "Np" ]

[ 3, 3, 3, 3, 93, 93, 93, 93, 93, 93, 93, 93, 93, 93, 93, 93 ]

16

2

[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0, 0.5 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0.5, 0 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.5, 0, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0.5, 0.5 ] ]

{ "a": 6.333765983581543, "b": 6.333765983581543, "c": 6.333765983581543, "alpha": 90, "beta": 90, "gamma": 90 }

225

LiNp3

hard_negative

true

4

0

0.440101

true

[ "li", "metallic" ]

null

mp-1185286

[ "Li", "Yb" ]

[ 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 70, 70, 70, 70 ]

16

2

[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]

{ "a": 7.09399938583374, "b": 7.09399938583374, "c": 7.09399938583374, "alpha": 90, "beta": 90, "gamma": 90 }

225

Li3Yb

hard_negative

true

12

0

0.247365

true

[ "li", "metallic" ]

null

mp-1185295

[ "Li", "Zr" ]

[ 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 40, 40, 40, 40 ]

16

2

[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]

{ "a": 6.6916937828063965, "b": 6.6916937828063965, "c": 6.6916937828063965, "alpha": 90, "beta": 90, "gamma": 90 }

225

Li3Zr

hard_negative

true

12

0

0.443144

true

[ "li", "metallic" ]

null

mp-1185410

[ "Li", "Re" ]

[ 3, 3, 3, 3, 75, 75, 75, 75, 75, 75, 75, 75, 75, 75, 75, 75 ]

16

2

[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.75, 0.25 ], [ 0.25, 0.25, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.75, 0.75 ], [ 0.75, 0.25, 0.75 ], [ 0, 0.5, 0 ] ]

{ "a": 6.105762004852295, "b": 6.105762004852295, "c": 6.105762004852295, "alpha": 90, "beta": 90, "gamma": 90 }

225

LiRe3

hard_negative

true

4

0

0.206928

true

[ "li", "metallic" ]

null

mp-1185480

[ "Li", "Pu" ]

[ 3, 3, 3, 3, 94, 94, 94, 94, 94, 94, 94, 94, 94, 94, 94, 94 ]

16

2

[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.25, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0.5, 0, 0 ] ]

{ "a": 6.639001846313477, "b": 6.639001846313477, "c": 6.639001846313477, "alpha": 90, "beta": 90, "gamma": 90 }

225

LiPu3

hard_negative

true

4

0

0.793055

true

[ "li", "metallic" ]

null

mp-1185487

[ "F", "Lu" ]

[ 71, 71, 71, 71, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9 ]

16

2

[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ] ]

{ "a": 5.478318214416504, "b": 5.478318214416504, "c": 5.478318214416504, "alpha": 90, "beta": 90, "gamma": 90 }

225

LuF3

general_inorganic

false

null

6.2232

0.390927

-4.058234

false

[ "halide" ]

null

mp-1185499

[ "Ag", "Lu" ]

[ 71, 71, 71, 71, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47 ]

16

2

[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ] ]

{ "a": 6.763182640075684, "b": 6.763182640075684, "c": 6.763182640075684, "alpha": 90, "beta": 90, "gamma": 90 }

225

LuAg3

hard_negative

false

null

0

0.064846

-0.210256

true

[ "metallic" ]

null

mp-1185502

[ "Mg", "Lu" ]

[ 71, 71, 71, 71, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12 ]

16

2

[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0.75, 0.25 ], [ 0.25, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.75 ], [ 0.75, 0.25, 0.75 ] ]

{ "a": 7.224864482879639, "b": 7.224864482879639, "c": 7.224864482879639, "alpha": 90, "beta": 90, "gamma": 90 }

225

LuMg3

hard_negative

false

null

0

0.009607

-0.005692

true

[ "metallic" ]

null

mp-1185541

[ "Na", "Cs" ]

[ 55, 55, 55, 55, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11 ]

16

2

[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ] ]

{ "a": 9.462244033813477, "b": 9.462244033813477, "c": 9.462244033813477, "alpha": 90, "beta": 90, "gamma": 90 }

225

CsNa3

hard_negative

false

null

0

0.082454

true

[ "metallic" ]

null

mp-1185554

[ "K", "Cs" ]

[ 55, 55, 55, 55, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19, 19 ]

16

2

[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ] ]

{ "a": 11.093725204467773, "b": 11.093725204467773, "c": 11.093725204467773, "alpha": 90, "beta": 90, "gamma": 90 }

225

CsK3

hard_negative

false

null

0

0.018123

true

[ "metallic" ]

null

mp-1185559

[ "Rb", "Cs" ]

[ 55, 55, 55, 55, 37, 37, 37, 37, 37, 37, 37, 37, 37, 37, 37, 37 ]

16

2

[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ] ]

{ "a": 11.696831703186035, "b": 11.696831703186035, "c": 11.696831703186035, "alpha": 90, "beta": 90, "gamma": 90 }

225

CsRb3

hard_negative

false

null

0

0.009642

true

[ "metallic" ]

null

mp-1185569

[ "Cs", "Eu" ]

[ 55, 55, 55, 55, 63, 63, 63, 63, 63, 63, 63, 63, 63, 63, 63, 63 ]

16

2

[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ] ]

{ "a": 9.537063598632812, "b": 9.537063598632812, "c": 9.537063598632812, "alpha": 90, "beta": 90, "gamma": 90 }

225

CsEu3

hard_negative

false

null

0

0.271977

true

[ "metallic" ]

null

mp-1185667

[ "Na", "Ge" ]

[ 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 32, 32, 32, 32 ]

16

2

[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]

{ "a": 7.425869941711426, "b": 7.425869941711426, "c": 7.425869941711426, "alpha": 90, "beta": 90, "gamma": 90 }

225

Na3Ge

hard_negative

false

null

0

0.078521

-0.028742

true

[ "metallic" ]

null

mp-1185782

[ "Mg", "Ru" ]

[ 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 44, 44, 44, 44 ]

16

2

[ [ 0.75, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.75 ], [ 0.75, 0.25, 0.75 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.25 ], [ 0.25, 0.75, 0.75 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0.75, 0.25 ], [ 0.25, 0.25, 0.25 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]

{ "a": 6.538809776306152, "b": 6.538809776306152, "c": 6.538809776306152, "alpha": 90, "beta": 90, "gamma": 90 }

225

Mg3Ru

hard_negative

false

null

0

0.113853

0.035622

true

[ "metallic" ]

null

mp-1185800

[ "Mg", "V" ]

[ 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 23, 23, 23, 23 ]

16

2

[ [ 0.25, 0.75, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]

{ "a": 6.878061771392822, "b": 6.878061771392822, "c": 6.878061771392822, "alpha": 90, "beta": 90, "gamma": 90 }

225

Mg3V

hard_negative

false

null

0

0.339689

true

[ "metallic" ]

null

mp-1185815

[ "Mg", "U" ]

[ 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 12, 92, 92, 92, 92 ]

16

2

[ [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0.75, 0.25 ], [ 0.25, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.75 ], [ 0.75, 0.25, 0.75 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]

{ "a": 7.316239833831787, "b": 7.316239833831787, "c": 7.316239833831787, "alpha": 90, "beta": 90, "gamma": 90 }

225

Mg3U

hard_negative

false

null

0

0.459285

true

[ "metallic" ]

null

mp-1185872

[ "H", "Mg" ]

[ 12, 12, 12, 12, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1 ]

16

2

[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0.75, 0.25 ], [ 0.25, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.75 ], [ 0.75, 0.25, 0.75 ] ]

{ "a": 4.705183982849121, "b": 4.705183982849121, "c": 4.705183982849121, "alpha": 90, "beta": 90, "gamma": 90 }

225

MgH3

hard_negative

false

null

0

0.419421

0.207381

true

[ "metallic" ]

null

mp-1185895

[ "Mg", "Mo" ]

[ 12, 12, 12, 12, 42, 42, 42, 42, 42, 42, 42, 42, 42, 42, 42, 42 ]

16

2

[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.75 ] ]

{ "a": 6.377029895782471, "b": 6.377029895782471, "c": 6.377029895782471, "alpha": 90, "beta": 90, "gamma": 90 }

225

MgMo3

hard_negative

false

null

0

0.376077

true

[ "metallic" ]

null

mp-1185897

[ "Mg", "Nb" ]

[ 12, 12, 12, 12, 41, 41, 41, 41, 41, 41, 41, 41, 41, 41, 41, 41 ]

16

2

[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.75 ] ]

{ "a": 6.688471794128418, "b": 6.688471794128418, "c": 6.688471794128418, "alpha": 90, "beta": 90, "gamma": 90 }

225

MgNb3

hard_negative

false

null

0

0.271923

true

[ "metallic" ]

null

mp-1185924

[ "Mn", "Re" ]

[ 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 75, 75, 75, 75 ]

16

2

[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]

{ "a": 5.821844100952148, "b": 5.821844100952148, "c": 5.821844100952148, "alpha": 90, "beta": 90, "gamma": 90 }

225

Mn3Re

hard_negative

false

null

0

0.059815

true

[ "metallic" ]

null

mp-1185933

[ "Mn", "Cd" ]

[ 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 48, 48, 48, 48 ]

16

2

[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]

{ "a": 6.324162006378174, "b": 6.324162006378174, "c": 6.324162006378174, "alpha": 90, "beta": 90, "gamma": 90 }

225

Mn3Cd

hard_negative

false

null

0

0.527204

true

[ "metallic" ]

null

mp-1185950

[ "Mn", "Sb" ]

[ 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 51, 51, 51, 51 ]

16

2

[ [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0, 0, 0 ], [ 0.25, 0.75, 0.25 ], [ 0.25, 0.25, 0.25 ], [ 0, 0.5, 0.5 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0.5, 0, 0.5 ], [ 0.75, 0.75, 0.75 ], [ 0.75, 0.25, 0.75 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0, 0, 0.5 ], [ 0, 0.5, 0 ] ]

{ "a": 5.98824405670166, "b": 5.98824405670166, "c": 5.98824405670166, "alpha": 90, "beta": 90, "gamma": 90 }

225

Mn3Sb

hard_negative

false

null

0

0.112574

-0.048984

true

[ "metallic" ]

null

mp-1185977

[ "Mg", "Ta" ]

[ 12, 12, 12, 12, 73, 73, 73, 73, 73, 73, 73, 73, 73, 73, 73, 73 ]

16

2

[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.75 ] ]

{ "a": 6.669000148773193, "b": 6.669000148773193, "c": 6.669000148773193, "alpha": 90, "beta": 90, "gamma": 90 }

225

MgTa3

hard_negative

false

null

0

0.321435

true

[ "metallic" ]

null

mp-1185979

[ "Mn", "Zn" ]

[ 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 30, 30, 30, 30 ]

16

2

[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]

{ "a": 5.8258538246154785, "b": 5.8258538246154785, "c": 5.8258538246154785, "alpha": 90, "beta": 90, "gamma": 90 }

225

Mn3Zn

hard_negative

false

null

0

0.203603

0.164531

true

[ "metallic" ]

null

mp-1185982

[ "Mg", "Tl" ]

[ 12, 12, 12, 12, 81, 81, 81, 81, 81, 81, 81, 81, 81, 81, 81, 81 ]

16

2

[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.25, 0.75, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0, 0.5, 0 ], [ 0.75, 0.75, 0.75 ] ]

{ "a": 7.71707820892334, "b": 7.71707820892334, "c": 7.71707820892334, "alpha": 90, "beta": 90, "gamma": 90 }

225

MgTl3

hard_negative

false

null

0

0.084746

0.076252

true

[ "metallic" ]

null

mp-1185993

[ "Mn", "Te" ]

[ 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 25, 52, 52, 52, 52 ]

16

2

[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]

{ "a": 5.9743218421936035, "b": 5.9743218421936035, "c": 5.9743218421936035, "alpha": 90, "beta": 90, "gamma": 90 }

225

Mn3Te

hard_negative

false

null

0

0.300594

-0.00514

true

[ "metallic" ]

null

mp-1185997

[ "Na", "Tc" ]

[ 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 11, 43, 43, 43, 43 ]

16

2

[ [ 0.25, 0.75, 0.75 ], [ 0.25, 0.25, 0.75 ], [ 0.5, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25, 0.75, 0.25 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.25 ], [ 0.75, 0.25, 0.25 ], [ 0, 0, 0.5 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0, 0.5, 0 ], [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]

{ "a": 7.564169883728027, "b": 7.564169883728027, "c": 7.564169883728027, "alpha": 90, "beta": 90, "gamma": 90 }

225

Na3Tc

hard_negative

false

null

0

0.998508

true

[ "metallic" ]

null