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-979945	[ "V", "Yb" ]	[ 70, 70, 70, 23 ]	4	2	[ [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0 ] ]	{ "a": 4.737046718597412, "b": 4.737046718597412, "c": 4.737046718597412, "alpha": 90, "beta": 90, "gamma": 90 }	221	Yb3V	hard_negative	false	null	0	0.237141	0.237141	true	[ "metallic" ]	null
mp-979956	[ "Mg", "Yb" ]	[ 70, 70, 70, 12 ]	4	2	[ [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.5 ], [ 0, 0.5, 0.5 ], [ 0, 0, 0 ] ]	{ "a": 4.822697162628174, "b": 4.822697162628174, "c": 4.822697162628174, "alpha": 90, "beta": 90, "gamma": 90 }	221	Yb3Mg	hard_negative	false	null	0	0.0749	0.028437	true	[ "metallic" ]	null
mp-979963	[ "Ti", "Yb" ]	[ 70, 70, 70, 22 ]	4	2	[ [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0 ] ]	{ "a": 4.749492168426514, "b": 4.749492168426514, "c": 4.749492168426514, "alpha": 90, "beta": 90, "gamma": 90 }	221	Yb3Ti	hard_negative	false	null	0	0.156354	0.156354	true	[ "metallic" ]	null
mp-979984	[ "P", "Yb" ]	[ 70, 15, 15, 15 ]	4	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 4.088846206665039, "b": 4.088846206665039, "c": 4.088846206665039, "alpha": 90, "beta": 90, "gamma": 90 }	221	YbP3	hard_negative	false	null	0	0.30098	-0.26422	true	[ "metallic" ]	null
mp-980001	[ "Pr", "Yb" ]	[ 70, 59, 59, 59 ]	4	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 5.169693946838379, "b": 5.169693946838379, "c": 5.169693946838379, "alpha": 90, "beta": 90, "gamma": 90 }	221	YbPr3	hard_negative	false	null	0	0.028413	0.028413	true	[ "metallic" ]	null
mp-980014	[ "Tm", "Th" ]	[ 69, 90, 90, 90 ]	4	2	[ [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0.5, 0 ], [ 0, 0, 0.5 ] ]	{ "a": 5.03771448135376, "b": 5.03771448135376, "c": 5.03771448135376, "alpha": 90, "beta": 90, "gamma": 90 }	221	TmTh3	hard_negative	false	null	0	0.042858	0.042858	true	[ "metallic" ]	null
mp-980063	[ "Dy", "Yb" ]	[ 70, 66, 66, 66 ]	4	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 4.991770267486572, "b": 4.991770267486572, "c": 4.991770267486572, "alpha": 90, "beta": 90, "gamma": 90 }	221	YbDy3	hard_negative	false	null	0	0.047278	0.043645	true	[ "metallic" ]	null
mp-980082	[ "Y", "Ho" ]	[ 39, 67, 67, 67 ]	4	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 5.022151470184326, "b": 5.022151470184326, "c": 5.022151470184326, "alpha": 90, "beta": 90, "gamma": 90 }	221	YHo3	hard_negative	false	null	0	0.065197	0.063394	true	[ "metallic" ]	null
mp-980203	[ "Ti", "Os" ]	[ 22, 76, 76, 76 ]	4	2	[ [ 0, 0, 0 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.5 ], [ 0, 0.5, 0.5 ] ]	{ "a": 3.8877339363098145, "b": 3.8877339363098145, "c": 3.8877339363098145, "alpha": 90, "beta": 90, "gamma": 90 }	221	TiOs3	hard_negative	false	null	0	0.219765	-0.194885	true	[ "metallic" ]	null
mp-980646	[ "Si", "Tm" ]	[ 69, 14, 14, 14 ]	4	2	[ [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0.5, 0 ], [ 0, 0, 0.5 ] ]	{ "a": 4.105045795440674, "b": 4.105045795440674, "c": 4.105045795440674, "alpha": 90, "beta": 90, "gamma": 90 }	221	TmSi3	hard_negative	false	null	0	0.243736	-0.21722	true	[ "metallic" ]	null
mp-980941	[ "N", "Ti" ]	[ 22, 22, 22, 7 ]	4	2	[ [ 0.5, 0, 0.5 ], [ 0, 0.5, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0 ] ]	{ "a": 3.696906089782715, "b": 3.696906089782715, "c": 3.696906089782715, "alpha": 90, "beta": 90, "gamma": 90 }	221	Ti3N	hard_negative	false	null	0	1.344308	0.253594	true	[ "metallic" ]	null
mp-980945	[ "Ti", "Nb" ]	[ 22, 22, 22, 41 ]	4	2	[ [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0 ] ]	{ "a": 4.133432865142822, "b": 4.133432865142822, "c": 4.133432865142822, "alpha": 90, "beta": 90, "gamma": 90 }	221	Ti3Nb	hard_negative	false	null	0	0.08445	0.08445	true	[ "metallic" ]	null
mp-980946	[ "Cr", "Sr" ]	[ 38, 38, 38, 24 ]	4	2	[ [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0 ] ]	{ "a": 5.535728931427002, "b": 5.535728931427002, "c": 5.535728931427002, "alpha": 90, "beta": 90, "gamma": 90 }	221	Sr3Cr	hard_negative	false	null	0	0.495599	0.495599	true	[ "metallic" ]	null
mp-981209	[ "Ti", "Ni" ]	[ 22, 22, 22, 28 ]	4	2	[ [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0 ] ]	{ "a": 3.9351749420166016, "b": 3.9351749420166016, "c": 3.9351749420166016, "alpha": 90, "beta": 90, "gamma": 90 }	221	Ti3Ni	hard_negative	false	null	0	0.129035	-0.078961	true	[ "metallic" ]	null
mp-981215	[ "Co", "Zn" ]	[ 30, 30, 30, 27 ]	4	2	[ [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0 ] ]	{ "a": 3.685852289199829, "b": 3.685852289199829, "c": 3.685852289199829, "alpha": 90, "beta": 90, "gamma": 90 }	221	Zn3Co	hard_negative	false	null	0	0.0556	0.00577	true	[ "metallic" ]	null
mp-981384	[ "Sc", "Os" ]	[ 21, 76, 76, 76 ]	4	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 3.9572839736938477, "b": 3.9572839736938477, "c": 3.9572839736938477, "alpha": 90, "beta": 90, "gamma": 90 }	221	ScOs3	hard_negative	false	null	0	0.384095	0.099033	true	[ "metallic" ]	null
mp-981387	[ "Hg", "Bi" ]	[ 80, 80, 80, 83 ]	4	2	[ [ 0.5, 0, 0 ], [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ] ]	{ "a": 4.759273052215576, "b": 4.759273052215576, "c": 4.759273052215576, "alpha": 90, "beta": 90, "gamma": 90 }	221	Hg3Bi	hard_negative	false	null	0	0.115784	0.115784	true	[ "metallic" ]	null
mp-981390	[ "Hg", "Bi" ]	[ 80, 83, 83, 83 ]	4	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 4.956289768218994, "b": 4.956289768218994, "c": 4.956289768218994, "alpha": 90, "beta": 90, "gamma": 90 }	221	HgBi3	hard_negative	false	null	0	0.125786	0.125786	true	[ "metallic" ]	null
mp-981435	[ "La", "Np" ]	[ 57, 93, 93, 93 ]	4	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.5 ] ]	{ "a": 4.567636966705322, "b": 4.567636966705322, "c": 4.567636966705322, "alpha": 90, "beta": 90, "gamma": 90 }	221	LaNp3	hard_negative	false	null	0	0.706052	0.706052	true	[ "metallic" ]	null
mp-981545	[ "Zr", "Ho" ]	[ 67, 67, 67, 40 ]	4	2	[ [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0 ] ]	{ "a": 4.851889133453369, "b": 4.851889133453369, "c": 4.851889133453369, "alpha": 90, "beta": 90, "gamma": 90 }	221	Ho3Zr	hard_negative	false	null	0	0.08455	0.08455	true	[ "metallic" ]	null
mp-981546	[ "Pr", "Ho" ]	[ 59, 67, 67, 67 ]	4	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 5.058958530426025, "b": 5.058958530426025, "c": 5.058958530426025, "alpha": 90, "beta": 90, "gamma": 90 }	221	PrHo3	hard_negative	false	null	0	0.052546	0.052546	true	[ "metallic" ]	null
mp-981662	[ "Yb", "U" ]	[ 70, 92, 92, 92 ]	4	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 4.486130237579346, "b": 4.486130237579346, "c": 4.486130237579346, "alpha": 90, "beta": 90, "gamma": 90 }	221	YbU3	hard_negative	false	null	0	0.571368	0.571368	true	[ "metallic" ]	null
mp-982	[ "Pd", "Tm" ]	[ 69, 46, 46, 46 ]	4	2	[ [ 0, 0, 0 ], [ 0.5, 0, 0.5 ], [ 0, 0.5, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 4.059013366699219, "b": 4.059013366699219, "c": 4.059013366699219, "alpha": 90, "beta": 90, "gamma": 90 }	221	TmPd3	hard_negative	false	null	0	0	-0.953766	true	[ "metallic" ]	null
mp-982048	[ "O", "Ge" ]	[ 32, 32, 8, 8, 8 ]	5	2	[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.5 ], [ 0, 0.5, 0.5 ] ]	{ "a": 3.7342946529388428, "b": 3.7342946529388428, "c": 3.7342946529388428, "alpha": 90, "beta": 90, "gamma": 90 }	221	Ge2O3	general_inorganic	false	null	0.682	0.454093	-1.486897	false	[ "oxide" ]	null
mp-982665	[ "K", "In" ]	[ 19, 19, 19, 49 ]	4	2	[ [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0 ] ]	{ "a": 5.770557880401611, "b": 5.770557880401611, "c": 5.770557880401611, "alpha": 90, "beta": 90, "gamma": 90 }	221	K3In	hard_negative	false	null	0	0.141514	0.08414	true	[ "metallic" ]	null
mp-982773	[ "Na", "Tl" ]	[ 11, 11, 11, 81 ]	4	2	[ [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0 ] ]	{ "a": 4.909226894378662, "b": 4.909226894378662, "c": 4.909226894378662, "alpha": 90, "beta": 90, "gamma": 90 }	221	Na3Tl	hard_negative	false	null	0	0.022762	-0.080652	true	[ "metallic" ]	null
mp-982780	[ "K", "Cd" ]	[ 19, 19, 19, 48 ]	4	2	[ [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0 ] ]	{ "a": 5.952904224395752, "b": 5.952904224395752, "c": 5.952904224395752, "alpha": 90, "beta": 90, "gamma": 90 }	221	K3Cd	hard_negative	false	null	0	0.05621	0.021702	true	[ "metallic" ]	null
mp-982880	[ "Y", "Pm" ]	[ 61, 61, 61, 39 ]	4	2	[ [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0 ] ]	{ "a": 5.152166843414307, "b": 5.152166843414307, "c": 5.152166843414307, "alpha": 90, "beta": 90, "gamma": 90 }	221	Pm3Y	hard_negative	false	null	0	0.042442	0.042442	true	[ "metallic" ]	null
mp-983230	[ "B", "Ga" ]	[ 31, 31, 31, 5 ]	4	2	[ [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0 ] ]	{ "a": 3.959949016571045, "b": 3.959949016571045, "c": 3.959949016571045, "alpha": 90, "beta": 90, "gamma": 90 }	221	Ga3B	hard_negative	false	null	0	0.734098	0.734098	true	[ "metallic" ]	null
mp-983237	[ "Ga", "Bi" ]	[ 31, 31, 31, 83 ]	4	2	[ [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0 ] ]	{ "a": 4.530755043029785, "b": 4.530755043029785, "c": 4.530755043029785, "alpha": 90, "beta": 90, "gamma": 90 }	221	Ga3Bi	hard_negative	false	null	0	0.072513	0.069062	true	[ "metallic" ]	null
mp-983497	[ "Zn", "Pa" ]	[ 91, 91, 91, 30 ]	4	2	[ [ 0.5, 0, 0 ], [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ] ]	{ "a": 4.508803844451904, "b": 4.508803844451904, "c": 4.508803844451904, "alpha": 90, "beta": 90, "gamma": 90 }	221	Pa3Zn	hard_negative	false	null	0	0.080064	0.037669	true	[ "metallic" ]	null
mp-983539	[ "Be", "Au" ]	[ 4, 79, 79, 79 ]	4	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 4.0117058753967285, "b": 4.0117058753967285, "c": 4.0117058753967285, "alpha": 90, "beta": 90, "gamma": 90 }	221	BeAu3	hard_negative	false	null	0	0.181831	0.080005	true	[ "metallic" ]	null
mp-983584	[ "Al", "Tl" ]	[ 13, 13, 13, 81 ]	4	2	[ [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0 ] ]	{ "a": 4.354231834411621, "b": 4.354231834411621, "c": 4.354231834411621, "alpha": 90, "beta": 90, "gamma": 90 }	221	Al3Tl	hard_negative	false	null	0	0.284704	0.284704	true	[ "metallic" ]	null
mp-983585	[ "Al", "Zn" ]	[ 13, 13, 13, 30 ]	4	2	[ [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0 ] ]	{ "a": 3.9687719345092773, "b": 3.9687719345092773, "c": 3.9687719345092773, "alpha": 90, "beta": 90, "gamma": 90 }	221	Al3Zn	hard_negative	false	null	0	0.036298	0.036298	true	[ "metallic" ]	null
mp-983590	[ "Be", "Fe" ]	[ 4, 4, 4, 26 ]	4	2	[ [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0 ] ]	{ "a": 3.2390010356903076, "b": 3.2390010356903076, "c": 3.2390010356903076, "alpha": 90, "beta": 90, "gamma": 90 }	221	Be3Fe	hard_negative	false	null	0	0	-0.208987	true	[ "metallic" ]	null
mp-983594	[ "Al", "Ga" ]	[ 13, 13, 13, 31 ]	4	2	[ [ 0.5, 0.5, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0, 0, 0 ] ]	{ "a": 4.002791881561279, "b": 4.002791881561279, "c": 4.002791881561279, "alpha": 90, "beta": 90, "gamma": 90 }	221	Al3Ga	hard_negative	false	null	0	0.043444	0.043444	true	[ "metallic" ]	null
mp-983604	[ "As", "Er" ]	[ 68, 68, 68, 33 ]	4	2	[ [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0 ] ]	{ "a": 4.5999908447265625, "b": 4.5999908447265625, "c": 4.5999908447265625, "alpha": 90, "beta": 90, "gamma": 90 }	221	Er3As	hard_negative	false	null	0	0.371841	-0.518883	true	[ "metallic" ]	null
mp-984518	[ "Cu", "Ga" ]	[ 31, 31, 31, 29 ]	4	2	[ [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0 ] ]	{ "a": 4.035333156585693, "b": 4.035333156585693, "c": 4.035333156585693, "alpha": 90, "beta": 90, "gamma": 90 }	221	Ga3Cu	hard_negative	false	null	0	0.122285	0.062145	true	[ "metallic" ]	null
mp-984700	[ "Y", "Ce" ]	[ 58, 39, 39, 39 ]	4	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 5.058812141418457, "b": 5.058812141418457, "c": 5.058812141418457, "alpha": 90, "beta": 90, "gamma": 90 }	221	CeY3	hard_negative	false	null	0	0.075263	0.075263	true	[ "metallic" ]	null
mp-984711	[ "Cr", "Cu" ]	[ 24, 24, 24, 29 ]	4	2	[ [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0 ] ]	{ "a": 3.6019179821014404, "b": 3.6019179821014404, "c": 3.6019179821014404, "alpha": 90, "beta": 90, "gamma": 90 }	221	Cr3Cu	hard_negative	false	null	0	0.293847	0.293847	true	[ "metallic" ]	null
mp-984713	[ "Ga", "Dy" ]	[ 66, 66, 66, 31 ]	4	2	[ [ 0.5, 0.5, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0, 0, 0 ] ]	{ "a": 4.720685958862305, "b": 4.720685958862305, "c": 4.720685958862305, "alpha": 90, "beta": 90, "gamma": 90 }	221	Dy3Ga	hard_negative	false	null	0	0.095112	-0.307413	true	[ "metallic" ]	null
mp-984717	[ "Be", "Ni" ]	[ 4, 28, 28, 28 ]	4	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 3.418936014175415, "b": 3.418936014175415, "c": 3.418936014175415, "alpha": 90, "beta": 90, "gamma": 90 }	221	BeNi3	hard_negative	false	null	0	0.072911	-0.16123	true	[ "metallic" ]	null
mp-984719	[ "Be", "Ag" ]	[ 4, 47, 47, 47 ]	4	2	[ [ 0, 0, 0 ], [ 0.5, 0, 0.5 ], [ 0, 0.5, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 3.990715980529785, "b": 3.990715980529785, "c": 3.990715980529785, "alpha": 90, "beta": 90, "gamma": 90 }	221	BeAg3	hard_negative	false	null	0	0.228242	0.228242	true	[ "metallic" ]	null
mp-984727	[ "Br", "Ce" ]	[ 58, 58, 58, 35 ]	4	2	[ [ 0.5, 0, 0 ], [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ] ]	{ "a": 4.574962139129639, "b": 4.574962139129639, "c": 4.574962139129639, "alpha": 90, "beta": 90, "gamma": 90 }	221	Ce3Br	hard_negative	false	null	0	0.413167	-0.354604	true	[ "halide", "metallic" ]	null
mp-985	[ "Cu", "Tm" ]	[ 69, 29 ]	2	2	[ [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ] ]	{ "a": 3.3844869136810303, "b": 3.3844869136810303, "c": 3.3844869136810303, "alpha": 90, "beta": 90, "gamma": 90 }	221	TmCu	hard_negative	false	null	0	0	-0.300832	true	[ "metallic" ]	null
mp-985282	[ "Ge", "Ag" ]	[ 47, 47, 47, 32 ]	4	2	[ [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0.5, 0.5 ], [ 0, 0, 0 ] ]	{ "a": 4.162825107574463, "b": 4.162825107574463, "c": 4.162825107574463, "alpha": 90, "beta": 90, "gamma": 90 }	221	Ag3Ge	hard_negative	false	null	0	0.099731	0.099731	true	[ "metallic" ]	null
mp-985285	[ "Co", "Hg" ]	[ 27, 80, 80, 80 ]	4	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 4.288467884063721, "b": 4.288467884063721, "c": 4.288467884063721, "alpha": 90, "beta": 90, "gamma": 90 }	221	CoHg3	hard_negative	false	null	0	0.474176	0.474176	true	[ "metallic" ]	null
mp-985297	[ "Rh", "Ag" ]	[ 47, 47, 47, 45 ]	4	2	[ [ 0.5, 0, 0 ], [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ] ]	{ "a": 4.076066970825195, "b": 4.076066970825195, "c": 4.076066970825195, "alpha": 90, "beta": 90, "gamma": 90 }	221	Ag3Rh	hard_negative	false	null	0	0.221649	0.221649	true	[ "metallic" ]	null
mp-985300	[ "Er", "Ac" ]	[ 89, 68, 68, 68 ]	4	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]	{ "a": 5.140364170074463, "b": 5.140364170074463, "c": 5.140364170074463, "alpha": 90, "beta": 90, "gamma": 90 }	221	AcEr3	hard_negative	false	null	0	0.075355	0.075355	true	[ "metallic" ]	null
mp-985443	[ "Ag", "Hg" ]	[ 47, 47, 47, 80 ]	4	2	[ [ 0.5, 0, 0.5 ], [ 0, 0.5, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0 ] ]	{ "a": 4.192114353179932, "b": 4.192114353179932, "c": 4.192114353179932, "alpha": 90, "beta": 90, "gamma": 90 }	221	Ag3Hg	hard_negative	false	null	0	0.031825	0.031825	true	[ "metallic" ]	null
mp-985588	[ "Cl", "Fe" ]	[ 26, 17 ]	2	2	[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]	{ "a": 3.1022400856018066, "b": 3.1022400856018066, "c": 3.1022400856018066, "alpha": 90, "beta": 90, "gamma": 90 }	221	FeCl	hard_negative	false	null	0	0.933269	0.072552	true	[ "halide", "metallic" ]	null
mp-986	[ "Zn", "Ce" ]	[ 58, 30 ]	2	2	[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]	{ "a": 3.626885175704956, "b": 3.626885175704956, "c": 3.626885175704956, "alpha": 90, "beta": 90, "gamma": 90 }	221	CeZn	hard_negative	false	null	0	0.029318	-0.191598	true	[ "metallic" ]	null
mp-987	[ "Cu", "Zn" ]	[ 30, 29 ]	2	2	[ [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ] ]	{ "a": 2.9205539226531982, "b": 2.9205539226531982, "c": 2.9205539226531982, "alpha": 90, "beta": 90, "gamma": 90 }	221	ZnCu	hard_negative	false	null	0	0	-0.090755	true	[ "metallic" ]	null
mp-998896	[ "C", "Y" ]	[ 39, 6 ]	2	2	[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]	{ "a": 3.1104469299316406, "b": 3.1104469299316406, "c": 3.1104469299316406, "alpha": 90, "beta": 90, "gamma": 90 }	221	YC	hard_negative	false	null	0	0.888898	0.595187	true	[ "metallic" ]	null
mp-998897	[ "Y", "Sb" ]	[ 39, 51 ]	2	2	[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]	{ "a": 3.80479097366333, "b": 3.80479097366333, "c": 3.80479097366333, "alpha": 90, "beta": 90, "gamma": 90 }	221	YSb	hard_negative	false	null	0	0.351147	-1.035208	true	[ "metallic" ]	null
mp-998901	[ "C", "Th" ]	[ 90, 6 ]	2	2	[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]	{ "a": 3.1929850578308105, "b": 3.1929850578308105, "c": 3.1929850578308105, "alpha": 90, "beta": 90, "gamma": 90 }	221	ThC	hard_negative	false	null	0	0.644232	0.213495	true	[ "metallic" ]	null
mp-998903	[ "N", "Ti" ]	[ 22, 7 ]	2	2	[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]	{ "a": 2.6393039226531982, "b": 2.6393039226531982, "c": 2.6393039226531982, "alpha": 90, "beta": 90, "gamma": 90 }	221	TiN	hard_negative	false	null	0	0.890271	-1.052396	true	[ "metallic" ]	null
mp-998947	[ "Ti", "Ru" ]	[ 22, 44, 44, 44 ]	4	2	[ [ 0, 0, 0 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.5 ], [ 0, 0.5, 0.5 ] ]	{ "a": 3.859584093093872, "b": 3.859584093093872, "c": 3.859584093093872, "alpha": 90, "beta": 90, "gamma": 90 }	221	TiRu3	hard_negative	false	null	0	0.17324	-0.24663	true	[ "metallic" ]	null
mp-998981	[ "Al", "Ti" ]	[ 22, 13, 13, 13 ]	4	2	[ [ 0, 0, 0 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.5 ], [ 0, 0.5, 0.5 ] ]	{ "a": 3.9556713104248047, "b": 3.9556713104248047, "c": 3.9556713104248047, "alpha": 90, "beta": 90, "gamma": 90 }	221	TiAl3	hard_negative	false	null	0	0.023057	-0.410832	true	[ "metallic" ]	null
mp-999188	[ "Ni", "Nb" ]	[ 41, 28, 28, 28 ]	4	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.5 ] ]	{ "a": 3.69547700881958, "b": 3.69547700881958, "c": 3.69547700881958, "alpha": 90, "beta": 90, "gamma": 90 }	221	NbNi3	hard_negative	false	null	0	0.162264	-0.130355	true	[ "metallic" ]	null
mp-999189	[ "Fe", "Ni" ]	[ 26, 26, 26, 28 ]	4	2	[ [ 0, 0.5, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.5 ], [ 0, 0, 0 ] ]	{ "a": 3.58463191986084, "b": 3.58463191986084, "c": 3.58463191986084, "alpha": 90, "beta": 90, "gamma": 90 }	221	Fe3Ni	hard_negative	false	null	0	0.077636	0.044024	true	[ "metallic" ]	null
mp-999292	[ "N", "Pd" ]	[ 46, 46, 46, 7 ]	4	2	[ [ 0, 0.5, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.5 ], [ 0, 0, 0 ] ]	{ "a": 3.8326940536499023, "b": 3.8326940536499023, "c": 3.8326940536499023, "alpha": 90, "beta": 90, "gamma": 90 }	221	Pd3N	hard_negative	false	null	0	1.108272	1.108272	true	[ "metallic" ]	null
mp-999298	[ "Pd", "Au" ]	[ 46, 46, 46, 79 ]	4	2	[ [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.5 ], [ 0, 0.5, 0.5 ], [ 0, 0, 0 ] ]	{ "a": 3.9676780700683594, "b": 3.9676780700683594, "c": 3.9676780700683594, "alpha": 90, "beta": 90, "gamma": 90 }	221	Pd3Au	hard_negative	false	null	0	0	-0.049388	true	[ "metallic" ]	null
mp-999393	[ "Cr", "Nb" ]	[ 41, 24, 24, 24 ]	4	2	[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.5 ] ]	{ "a": 3.8069729804992676, "b": 3.8069729804992676, "c": 3.8069729804992676, "alpha": 90, "beta": 90, "gamma": 90 }	221	NbCr3	hard_negative	false	null	0	0.543022	0.543022	true	[ "metallic" ]	null
mp-999437	[ "Ni", "Nb" ]	[ 41, 41, 41, 28 ]	4	2	[ [ 0, 0.5, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.5 ], [ 0, 0, 0 ] ]	{ "a": 4.0457258224487305, "b": 4.0457258224487305, "c": 4.0457258224487305, "alpha": 90, "beta": 90, "gamma": 90 }	221	Nb3Ni	hard_negative	false	null	0	0.219884	0.108202	true	[ "metallic" ]	null
mp-999440	[ "Fe", "Nb" ]	[ 41, 41, 41, 26 ]	4	2	[ [ 0, 0.5, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.5 ], [ 0, 0, 0 ] ]	{ "a": 4.043299198150635, "b": 4.043299198150635, "c": 4.043299198150635, "alpha": 90, "beta": 90, "gamma": 90 }	221	Nb3Fe	hard_negative	false	null	0	0.341567	0.287466	true	[ "metallic" ]	null
mp-999446	[ "Cr", "Nb" ]	[ 41, 41, 41, 24 ]	4	2	[ [ 0, 0.5, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.5 ], [ 0, 0, 0 ] ]	{ "a": 4.136382102966309, "b": 4.136382102966309, "c": 4.136382102966309, "alpha": 90, "beta": 90, "gamma": 90 }	221	Nb3Cr	hard_negative	false	null	0	0.40011	0.40011	true	[ "metallic" ]	null
mp-999469	[ "N", "Zn" ]	[ 30, 7 ]	2	2	[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]	{ "a": 2.6751997470855713, "b": 2.6751997470855713, "c": 2.6751997470855713, "alpha": 90, "beta": 90, "gamma": 90 }	221	ZnN	hard_negative	false	null	0	1.134708	1.098939	true	[ "metallic" ]	null
mp-999484	[ "Ti", "Y" ]	[ 39, 22 ]	2	2	[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]	{ "a": 3.6580920219421387, "b": 3.6580920219421387, "c": 3.6580920219421387, "alpha": 90, "beta": 90, "gamma": 90 }	221	YTi	hard_negative	false	null	0	0.364475	0.364475	true	[ "metallic" ]	null
mp-999543	[ "Mn", "Co" ]	[ 25, 27, 27, 27 ]	4	2	[ [ 0, 0, 0 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.5 ], [ 0, 0.5, 0.5 ] ]	{ "a": 3.544687032699585, "b": 3.544687032699585, "c": 3.544687032699585, "alpha": 90, "beta": 90, "gamma": 90 }	221	MnCo3	hard_negative	false	null	0	0.109641	0.102987	true	[ "metallic" ]	null
mp-10229	[ "Si", "Nb" ]	[ 41, 41, 41, 41, 41, 41, 14, 14 ]	8	2	[ [ 0, 0.5, 0.75 ], [ 0.5, 0.25, 0 ], [ 0.75, 0, 0.5 ], [ 0, 0.5, 0.25 ], [ 0.5, 0.75, 0 ], [ 0.25, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ] ]	{ "a": 5.12793493270874, "b": 5.12793493270874, "c": 5.12793493270874, "alpha": 90, "beta": 90, "gamma": 90 }	223	Nb3Si	hard_negative	false	null	0	0.111805	-0.370339	true	[ "metallic" ]	null
mp-1078558	[ "Na", "Cl" ]	[ 11, 11, 17, 17, 17, 17, 17, 17 ]	8	2	[ [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.25, 0.5 ], [ 0.75, 0.5, 0 ], [ 0.5, 0, 0.25 ], [ 0, 0.75, 0.5 ], [ 0.25, 0.5, 0 ] ]	{ "a": 5.527005195617676, "b": 5.527005195617676, "c": 5.527005195617676, "alpha": 90, "beta": 90, "gamma": 90 }	223	NaCl3	hard_negative	false	null	0	0.240027	-0.779174	true	[ "halide", "metallic" ]	null
mp-1079399	[ "V", "Fe" ]	[ 23, 23, 23, 23, 23, 23, 26, 26 ]	8	2	[ [ 0, 0.5, 0.75 ], [ 0.5, 0.25, 0 ], [ 0.75, 0, 0.5 ], [ 0, 0.5, 0.25 ], [ 0.5, 0.75, 0 ], [ 0.25, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ] ]	{ "a": 4.618965148925781, "b": 4.618965148925781, "c": 4.618965148925781, "alpha": 90, "beta": 90, "gamma": 90 }	223	V3Fe	hard_negative	false	null	0	0	-0.171137	true	[ "metallic" ]	null
mp-1079689	[ "Pt", "Tl" ]	[ 81, 81, 81, 81, 81, 81, 78, 78 ]	8	2	[ [ 0, 0.5, 0.75 ], [ 0.5, 0.25, 0 ], [ 0.75, 0, 0.5 ], [ 0, 0.5, 0.25 ], [ 0.5, 0.75, 0 ], [ 0.25, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ] ]	{ "a": 5.910254001617432, "b": 5.910254001617432, "c": 5.910254001617432, "alpha": 90, "beta": 90, "gamma": 90 }	223	Tl3Pt	hard_negative	false	null	0	0.19861	0.118886	true	[ "metallic" ]	null
mp-1079796	[ "Ti", "Pd" ]	[ 22, 22, 22, 22, 22, 22, 46, 46 ]	8	2	[ [ 0, 0.5, 0.75 ], [ 0.5, 0.25, 0 ], [ 0.75, 0, 0.5 ], [ 0, 0.5, 0.25 ], [ 0.5, 0.75, 0 ], [ 0.25, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ] ]	{ "a": 5.05784273147583, "b": 5.05784273147583, "c": 5.05784273147583, "alpha": 90, "beta": 90, "gamma": 90 }	223	Ti3Pd	hard_negative	false	null	0	0.000426	-0.339544	true	[ "metallic" ]	null
mp-1079947	[ "N", "Pd" ]	[ 46, 46, 46, 46, 46, 46, 7, 7 ]	8	2	[ [ 0, 0.5, 0.75 ], [ 0.5, 0.25, 0 ], [ 0.75, 0, 0.5 ], [ 0, 0.5, 0.25 ], [ 0.5, 0.75, 0 ], [ 0.25, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ] ]	{ "a": 4.854610919952393, "b": 4.854610919952393, "c": 4.854610919952393, "alpha": 90, "beta": 90, "gamma": 90 }	223	Pd3N	hard_negative	false	null	0	1.229803	1.229803	true	[ "metallic" ]	null
mp-1080016	[ "Ir", "Tl" ]	[ 81, 81, 81, 81, 81, 81, 77, 77 ]	8	2	[ [ 0, 0.5, 0.75 ], [ 0.5, 0.25, 0 ], [ 0.75, 0, 0.5 ], [ 0, 0.5, 0.25 ], [ 0.5, 0.75, 0 ], [ 0.25, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ] ]	{ "a": 5.734618186950684, "b": 5.734618186950684, "c": 5.734618186950684, "alpha": 90, "beta": 90, "gamma": 90 }	223	Tl3Ir	hard_negative	false	null	0	0.540015	0.540015	true	[ "metallic" ]	null
mp-1080375	[ "Se", "Ce" ]	[ 58, 58, 58, 58, 58, 58, 58, 58, 58, 58, 58, 58, 58, 58, 58, 58, 58, 58, 58, 58, 58, 58, 58, 58, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34 ]	72	2	[ [ 0.6374327540397644, 0.25, 0.1374327391386032 ], [ 0.75, 0.8625672459602356, 0.6374327540397644 ], [ 0.1374327391386032, 0.3625672459602356, 0.75 ], [ 0.3625672459602356, 0.75, 0.8625672459602356 ], [ 0.25, 0.1374327391386032, 0.3625672459602356 ], [ 0.8625672459602356, 0.6374327540397644, 0.25 ], [ 0.6374327540397644, 0.75, 0.8625672459602356 ], [ 0.75, 0.1374327391386032, 0.3625672459602356 ], [ 0.1374327391386032, 0.6374327540397644, 0.25 ], [ 0.3625672459602356, 0.25, 0.1374327391386032 ], [ 0.25, 0.8625672459602356, 0.6374327540397644 ], [ 0.8625672459602356, 0.3625672459602356, 0.75 ], [ 0.3625672459602356, 0.75, 0.1374327391386032 ], [ 0.25, 0.1374327391386032, 0.6374327540397644 ], [ 0.8625672459602356, 0.6374327540397644, 0.75 ], [ 0.6374327540397644, 0.25, 0.8625672459602356 ], [ 0.75, 0.8625672459602356, 0.3625672459602356 ], [ 0.1374327391386032, 0.3625672459602356, 0.25 ], [ 0.3625672459602356, 0.25, 0.8625672459602356 ], [ 0.25, 0.8625672459602356, 0.3625672459602356 ], [ 0.8625672459602356, 0.3625672459602356, 0.25 ], [ 0.6374327540397644, 0.75, 0.1374327391386032 ], [ 0.75, 0.1374327391386032, 0.6374327540397644 ], [ 0.1374327391386032, 0.6374327540397644, 0.75 ], [ 0.75, 0.3496135473251343, 0.15038643777370453 ], [ 0.6503864526748657, 0.8496135473251343, 0.75 ], [ 0.15038643777370453, 0.25, 0.6503864526748657 ], [ 0.25, 0.6503864526748657, 0.8496135473251343 ], [ 0.3496135473251343, 0.15038643777370453, 0.25 ], [ 0.8496135473251343, 0.75, 0.3496135473251343 ], [ 0.75, 0.6503864526748657, 0.8496135473251343 ], [ 0.6503864526748657, 0.15038643777370453, 0.25 ], [ 0.15038643777370453, 0.75, 0.3496135473251343 ], [ 0.25, 0.3496135473251343, 0.15038643777370453 ], [ 0.3496135473251343, 0.8496135473251343, 0.75 ], [ 0.8496135473251343, 0.25, 0.6503864526748657 ], [ 0.25, 0.6503864526748657, 0.15038643777370453 ], [ 0.3496135473251343, 0.15038643777370453, 0.75 ], [ 0.8496135473251343, 0.75, 0.6503864526748657 ], [ 0.75, 0.3496135473251343, 0.8496135473251343 ], [ 0.6503864526748657, 0.8496135473251343, 0.25 ], [ 0.15038643777370453, 0.25, 0.3496135473251343 ], [ 0.25, 0.3496135473251343, 0.8496135473251343 ], [ 0.3496135473251343, 0.8496135473251343, 0.25 ], [ 0.8496135473251343, 0.25, 0.3496135473251343 ], [ 0.75, 0.6503864526748657, 0.15038643777370453 ], [ 0.6503864526748657, 0.15038643777370453, 0.75 ], [ 0.15038643777370453, 0.75, 0.6503864526748657 ], [ 0.14936934411525726, 0.5, 0.3118340075016022 ], [ 0.5, 0.6881660223007202, 0.14936934411525726 ], [ 0.3118340075016022, 0.8506306409835815, 0.5 ], [ 0.8506306409835815, 0.5, 0.6881660223007202 ], [ 0.5, 0.3118340075016022, 0.8506306409835815 ], [ 0.6881660223007202, 0.14936934411525726, 0.5 ], [ 0.14936934411525726, 0.5, 0.6881660223007202 ], [ 0.3118340075016022, 0.14936934411525726, 0.5 ], [ 0.8506306409835815, 0.5, 0.3118340075016022 ], [ 0.6881660223007202, 0.8506306409835815, 0.5 ], [ 0.5, 0.3118340075016022, 0.14936934411525726 ], [ 0.5, 0.6881660223007202, 0.8506306409835815 ], [ 0.6493693590164185, 0.8118339776992798, 0 ], [ 0, 0.6493693590164185, 0.18816600739955902 ], [ 0.8118339776992798, 0, 0.35063064098358154 ], [ 0.35063064098358154, 0.18816600739955902, 0 ], [ 0, 0.35063064098358154, 0.8118339776992798 ], [ 0.18816600739955902, 0, 0.6493693590164185 ], [ 0.6493693590164185, 0.18816600739955902, 0 ], [ 0.8118339776992798, 0, 0.6493693590164185 ], [ 0.35063064098358154, 0.8118339776992798, 0 ], [ 0.18816600739955902, 0, 0.35063064098358154 ], [ 0, 0.6493693590164185, 0.8118339776992798 ], [ 0, 0.35063064098358154, 0.18816600739955902 ] ]	{ "a": 18.118078231811523, "b": 18.118078231811523, "c": 18.118078231811523, "alpha": 90, "beta": 90, "gamma": 90 }	223	CeSe2	general_inorganic	false	null	0.9467	0.534444	-1.404684	false	null	null
mp-1080476	[ "H", "Fe" ]	[ 26, 26, 1, 1, 1, 1, 1, 1 ]	8	2	[ [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.25, 0.5 ], [ 0.75, 0.5, 0 ], [ 0.5, 0, 0.25 ], [ 0, 0.75, 0.5 ], [ 0.25, 0.5, 0 ] ]	{ "a": 3.2847259044647217, "b": 3.2847259044647217, "c": 3.2847259044647217, "alpha": 90, "beta": 90, "gamma": 90 }	223	FeH3	hard_negative	false	null	0	0.326972	0.293344	true	[ "metallic" ]	null
mp-1080569	[ "Au", "Tl" ]	[ 81, 81, 81, 81, 81, 81, 79, 79 ]	8	2	[ [ 0, 0.5, 0.75 ], [ 0.5, 0.25, 0 ], [ 0.75, 0, 0.5 ], [ 0, 0.5, 0.25 ], [ 0.5, 0.75, 0 ], [ 0.25, 0, 0.5 ], [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ] ]	{ "a": 6.0897297859191895, "b": 6.0897297859191895, "c": 6.0897297859191895, "alpha": 90, "beta": 90, "gamma": 90 }	223	Tl3Au	hard_negative	false	null	0	0.069405	0.035072	true	[ "metallic" ]	null
mp-1101930	[ "O", "Mg" ]	[ 12, 12, 12, 12, 12, 12, 8, 8, 8, 8, 8, 8 ]	12	2	[ [ 0.25, 0, 0.5 ], [ 0, 0.5, 0.25 ], [ 0.5, 0.75, 0 ], [ 0.75, 0, 0.5 ], [ 0, 0.5, 0.75 ], [ 0.5, 0.25, 0 ], [ 0.25, 0.5, 0 ], [ 0.5, 0, 0.25 ], [ 0, 0.75, 0.5 ], [ 0.75, 0.5, 0 ], [ 0.5, 0, 0.75 ], [ 0, 0.25, 0.5 ] ]	{ "a": 5.640577793121338, "b": 5.640577793121338, "c": 5.640577793121338, "alpha": 90, "beta": 90, "gamma": 90 }	223	MgO	general_inorganic	false	null	2.8821	0.135658	-2.902651	false	[ "oxide" ]	null
mp-11026	[ "Rb", "Hg" ]	[ 37, 37, 37, 37, 37, 37, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80 ]	46	2	[ [ 0, 0.25, 0.5 ], [ 0.5, 0, 0.25 ], [ 0.5, 0, 0.75 ], [ 0.75, 0.5, 0 ], [ 0.25, 0.5, 0 ], [ 0, 0.75, 0.5 ], [ 0.8671839833259583, 0, 0.7414550185203552 ], [ 0.6328160166740417, 0.24145500361919403, 0.5 ], [ 0.36718401312828064, 0.24145500361919403, 0.5 ], [ 0.36718401312828064, 0.7585449814796448, 0.5 ], [ 0.75, 0, 0.5 ], [ 0.5, 0.6328160166740417, 0.24145500361919403 ], [ 0.7414550185203552, 0.8671839833259583, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25854501128196716, 0.13281600177288055, 0 ], [ 0.5, 0.25, 0 ], [ 0.5, 0.36718401312828064, 0.24145500361919403 ], [ 0.25, 0.75, 0.75 ], [ 0, 0.25854501128196716, 0.8671839833259583 ], [ 0.7414550185203552, 0.13281600177288055, 0 ], [ 0.13281600177288055, 0, 0.25854501128196716 ], [ 0.5, 0.6328160166740417, 0.7585449814796448 ], [ 0.25, 0.75, 0.25 ], [ 0.7585449814796448, 0.5, 0.6328160166740417 ], [ 0.25, 0, 0.5 ], [ 0.24145500361919403, 0.5, 0.36718401312828064 ], [ 0.24145500361919403, 0.5, 0.6328160166740417 ], [ 0.75, 0.75, 0.25 ], [ 0, 0.25854501128196716, 0.13281600177288055 ], [ 0.6328160166740417, 0.7585449814796448, 0.5 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0 ], [ 0.5, 0.36718401312828064, 0.7585449814796448 ], [ 0.25854501128196716, 0.8671839833259583, 0 ], [ 0.75, 0.25, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0.5, 0.25 ], [ 0, 0.7414550185203552, 0.13281600177288055 ], [ 0.75, 0.25, 0.25 ], [ 0.7585449814796448, 0.5, 0.36718401312828064 ], [ 0.5, 0.75, 0 ], [ 0.5, 0.5, 0.5 ], [ 0, 0.7414550185203552, 0.8671839833259583 ], [ 0.8671839833259583, 0, 0.25854501128196716 ], [ 0.75, 0.75, 0.75 ], [ 0.13281600177288055, 0, 0.7414550185203552 ] ]	{ "a": 11.569549560546875, "b": 11.569549560546875, "c": 11.569549560546875, "alpha": 90, "beta": 90, "gamma": 90 }	223	Rb3Hg20	hard_negative	false	null	0	0.012805	-0.120736	true	[ "metallic" ]	null
mp-11027	[ "Cs", "Hg" ]	[ 55, 55, 55, 55, 55, 55, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80 ]	46	2	[ [ 0, 0.25, 0.5 ], [ 0, 0.75, 0.5 ], [ 0.5, 0, 0.75 ], [ 0.5, 0, 0.25 ], [ 0.75, 0.5, 0 ], [ 0.25, 0.5, 0 ], [ 0.5, 0.6347064971923828, 0.7559757232666016 ], [ 0.3652935028076172, 0.7559757232666016, 0.5 ], [ 0.6347064971923828, 0.24402427673339844, 0.5 ], [ 0, 0.25597572326660156, 0.134706512093544 ], [ 0.134706512093544, 0, 0.25597572326660156 ], [ 0.8652935028076172, 0, 0.25597572326660156 ], [ 0, 0.7440242767333984, 0.8652935028076172 ], [ 0.8652935028076172, 0, 0.7440242767333984 ], [ 0, 0.7440242767333984, 0.134706512093544 ], [ 0, 0.25597572326660156, 0.8652935028076172 ], [ 0.134706512093544, 0, 0.7440242767333984 ], [ 0.25597572326660156, 0.8652935028076172, 0 ], [ 0.7440242767333984, 0.134706512093544, 0 ], [ 0.7440242767333984, 0.8652935028076172, 0 ], [ 0.6347064971923828, 0.7559757232666016, 0.5 ], [ 0.3652935028076172, 0.24402427673339844, 0.5 ], [ 0.5, 0.3652935028076172, 0.7559757232666016 ], [ 0.5, 0.3652935028076172, 0.24402427673339844 ], [ 0.24402427673339844, 0.5, 0.6347064971923828 ], [ 0.24402427673339844, 0.5, 0.3652935028076172 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.75, 0.25 ], [ 0.25, 0.25, 0.75 ], [ 0.75, 0.25, 0.25 ], [ 0.25, 0, 0.5 ], [ 0.75, 0, 0.5 ], [ 0, 0.5, 0.25 ], [ 0, 0.5, 0.75 ], [ 0.5, 0.75, 0 ], [ 0.5, 0.25, 0 ], [ 0.5, 0.6347064971923828, 0.24402427673339844 ], [ 0.7559757232666016, 0.5, 0.3652935028076172 ], [ 0.7559757232666016, 0.5, 0.6347064971923828 ], [ 0.25597572326660156, 0.134706512093544, 0 ], [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ] ]	{ "a": 11.37172794342041, "b": 11.37172794342041, "c": 11.37172794342041, "alpha": 90, "beta": 90, "gamma": 90 }	223	Cs3Hg20	hard_negative	false	null	0	0.002357	-0.140463	true	[ "metallic" ]	null
mp-1120	[ "Mo", "Ir" ]	[ 42, 42, 42, 42, 42, 42, 77, 77 ]	8	2	[ [ 0.5, 0.25, 0 ], [ 0.5, 0.75, 0 ], [ 0.25, 0, 0.5 ], [ 0.75, 0, 0.5 ], [ 0, 0.5, 0.25 ], [ 0, 0.5, 0.75 ], [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ] ]	{ "a": 5.002781867980957, "b": 5.002781867980957, "c": 5.002781867980957, "alpha": 90, "beta": 90, "gamma": 90 }	223	Mo3Ir	hard_negative	false	null	0	0.06502	-0.110201	true	[ "metallic" ]	null
mp-1120717	[ "V", "Bi" ]	[ 23, 23, 23, 23, 23, 23, 83, 83 ]	8	2	[ [ 0.5, 0.25, 0 ], [ 0.5, 0.75, 0 ], [ 0.25, 0, 0.5 ], [ 0.75, 0, 0.5 ], [ 0, 0.5, 0.25 ], [ 0, 0.5, 0.75 ], [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ] ]	{ "a": 5.026607036590576, "b": 5.026607036590576, "c": 5.026607036590576, "alpha": 90, "beta": 90, "gamma": 90 }	223	V3Bi	general_inorganic	false	null	0.1072	0.158316	0.158316	false	null	null
mp-11263	[ "Zr", "Au" ]	[ 40, 40, 40, 40, 40, 40, 79, 79 ]	8	2	[ [ 0.5, 0.25, 0 ], [ 0.5, 0.75, 0 ], [ 0.25, 0, 0.5 ], [ 0.75, 0, 0.5 ], [ 0, 0.5, 0.25 ], [ 0, 0.5, 0.75 ], [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ] ]	{ "a": 5.508037567138672, "b": 5.508037567138672, "c": 5.508037567138672, "alpha": 90, "beta": 90, "gamma": 90 }	223	Zr3Au	hard_negative	false	null	0	0	-0.387765	true	[ "metallic" ]	null
mp-11271	[ "Be", "Mo" ]	[ 4, 4, 42, 42, 42, 42, 42, 42 ]	8	2	[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0, 0.5 ], [ 0.75, 0, 0.5 ], [ 0, 0.5, 0.25 ], [ 0, 0.5, 0.75 ], [ 0.5, 0.75, 0 ], [ 0.5, 0.25, 0 ] ]	{ "a": 4.854444980621338, "b": 4.854444980621338, "c": 4.854444980621338, "alpha": 90, "beta": 90, "gamma": 90 }	223	BeMo3	hard_negative	false	null	0	0.121623	0.001654	true	[ "metallic" ]	null
mp-1147675	[ "Cl", "Rh" ]	[ 45, 45, 45, 45, 45, 45, 17, 17, 17, 17, 17, 17, 17, 17 ]	14	2	[ [ 0.75, 0, 0.5 ], [ 0.5, 0.75, 0 ], [ 0, 0.5, 0.75 ], [ 0, 0.5, 0.25 ], [ 0.25, 0, 0.5 ], [ 0.5, 0.25, 0 ], [ 0.75, 0.25, 0.25 ], [ 0.25, 0.25, 0.75 ], [ 0.25, 0.75, 0.25 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.25 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ] ]	{ "a": 6.600964069366455, "b": 6.600964069366455, "c": 6.600964069366455, "alpha": 90, "beta": 90, "gamma": 90 }	223	Rh3Cl4	hard_negative	false	null	0	0.315821	-0.281996	true	[ "halide", "metallic" ]	null
mp-1200220	[ "Al", "Ir" ]	[ 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 77, 77, 77, 77, 77, 77, 77, 77 ]	32	2	[ [ 0.7995820045471191, 0.33657601475715637, 0.5 ], [ 0.663424015045166, 0.5, 0.7995820045471191 ], [ 0.5, 0.20041799545288086, 0.663424015045166 ], [ 0.20041799545288086, 0.663424015045166, 0.5 ], [ 0.33657601475715637, 0.5, 0.20041799545288086 ], [ 0.5, 0.7995820045471191, 0.33657601475715637 ], [ 0.7995820045471191, 0.663424015045166, 0.5 ], [ 0.663424015045166, 0.5, 0.20041799545288086 ], [ 0.20041799545288086, 0.33657601475715637, 0.5 ], [ 0.33657601475715637, 0.5, 0.7995820045471191 ], [ 0.5, 0.7995820045471191, 0.663424015045166 ], [ 0.5, 0.20041799545288086, 0.33657601475715637 ], [ 0.29958200454711914, 0, 0.836575984954834 ], [ 0.16342400014400482, 0.29958200454711914, 0 ], [ 0, 0.16342400014400482, 0.7004179954528809 ], [ 0.7004179954528809, 0, 0.16342400014400482 ], [ 0.836575984954834, 0.7004179954528809, 0 ], [ 0, 0.836575984954834, 0.29958200454711914 ], [ 0.29958200454711914, 0, 0.16342400014400482 ], [ 0.16342400014400482, 0.7004179954528809, 0 ], [ 0.7004179954528809, 0, 0.836575984954834 ], [ 0.836575984954834, 0.29958200454711914, 0 ], [ 0, 0.16342400014400482, 0.29958200454711914 ], [ 0, 0.836575984954834, 0.7004179954528809 ], [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ], [ 0, 0.5, 0.75 ], [ 0.5, 0.25, 0 ], [ 0.75, 0, 0.5 ], [ 0, 0.5, 0.25 ], [ 0.5, 0.75, 0 ], [ 0.25, 0, 0.5 ] ]	{ "a": 7.808594226837158, "b": 7.808594226837158, "c": 7.808594226837158, "alpha": 90, "beta": 90, "gamma": 90 }	223	Al3Ir	hard_negative	false	null	0	0.098301	-0.668227	true	[ "metallic" ]	null
mp-1206038	[ "Se", "Mo" ]	[ 42, 42, 42, 42, 42, 42, 34, 34 ]	8	2	[ [ 0.25, 0, 0.5 ], [ 0.75, 0, 0.5 ], [ 0.5, 0.25, 0 ], [ 0.5, 0.75, 0 ], [ 0, 0.5, 0.25 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]	{ "a": 5.019928932189941, "b": 5.019928932189941, "c": 5.019928932189941, "alpha": 90, "beta": 90, "gamma": 90 }	223	Mo3Se	hard_negative	false	null	0	0.57642	0.295194	true	[ "metallic" ]	null
mp-1206445	[ "W", "Re" ]	[ 75, 75, 74, 74, 74, 74, 74, 74 ]	8	2	[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0, 0.5 ], [ 0.75, 0, 0.5 ], [ 0.5, 0.25, 0 ], [ 0.5, 0.75, 0 ], [ 0, 0.5, 0.25 ], [ 0, 0.5, 0.75 ] ]	{ "a": 5.022303104400635, "b": 5.022303104400635, "c": 5.022303104400635, "alpha": 90, "beta": 90, "gamma": 90 }	223	ReW3	hard_negative	false	null	0	0.043131	0.043131	true	[ "metallic" ]	null
mp-12071	[ "Ti", "As" ]	[ 22, 22, 22, 22, 22, 22, 33, 33 ]	8	2	[ [ 0.5, 0.25, 0 ], [ 0.5, 0.75, 0 ], [ 0.25, 0, 0.5 ], [ 0.75, 0, 0.5 ], [ 0, 0.5, 0.25 ], [ 0, 0.5, 0.75 ], [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ] ]	{ "a": 5.021765232086182, "b": 5.021765232086182, "c": 5.021765232086182, "alpha": 90, "beta": 90, "gamma": 90 }	223	Ti3As	hard_negative	false	null	0	0.164788	-0.561942	true	[ "metallic" ]	null
mp-1209551	[ "Ge", "Rb" ]	[ 37, 37, 37, 37, 37, 37, 37, 37, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32 ]	54	2	[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0, 0.5 ], [ 0.75, 0, 0.5 ], [ 0.5, 0.25, 0 ], [ 0.5, 0.75, 0 ], [ 0, 0.5, 0.25 ], [ 0, 0.5, 0.75 ], [ 0, 0.11999247968196869, 0.3057725727558136 ], [ 0, 0.8800075054168701, 0.6942274570465088 ], [ 0, 0.8800075054168701, 0.3057725727558136 ], [ 0, 0.11999247968196869, 0.6942274570465088 ], [ 0.3057725727558136, 0, 0.11999247968196869 ], [ 0.6199924945831299, 0.5, 0.1942274421453476 ], [ 0.6942274570465088, 0, 0.8800075054168701 ], [ 0.3800075054168701, 0.5, 0.8057725429534912 ], [ 0.3057725727558136, 0, 0.8800075054168701 ], [ 0.3800075054168701, 0.5, 0.1942274421453476 ], [ 0.6942274570465088, 0, 0.11999247968196869 ], [ 0.6199924945831299, 0.5, 0.8057725429534912 ], [ 0.11999247968196869, 0.3057725727558136, 0 ], [ 0.5, 0.8057725429534912, 0.3800075054168701 ], [ 0.8800075054168701, 0.6942274570465088, 0 ], [ 0.5, 0.1942274421453476, 0.6199924945831299 ], [ 0.11999247968196869, 0.6942274570465088, 0 ], [ 0.5, 0.1942274421453476, 0.3800075054168701 ], [ 0.8800075054168701, 0.3057725727558136, 0 ], [ 0.5, 0.8057725429534912, 0.6199924945831299 ], [ 0.1942274421453476, 0.6199924945831299, 0.5 ], [ 0.8057725429534912, 0.3800075054168701, 0.5 ], [ 0.1942274421453476, 0.3800075054168701, 0.5 ], [ 0.8057725429534912, 0.6199924945831299, 0.5 ], [ 0.25, 0.5, 0 ], [ 0.75, 0.5, 0 ], [ 0, 0.25, 0.5 ], [ 0, 0.75, 0.5 ], [ 0.5, 0, 0.25 ], [ 0.5, 0, 0.75 ], [ 0.1848486363887787, 0.1848486363887787, 0.1848486363887787 ], [ 0.8151513934135437, 0.8151513934135437, 0.8151513934135437 ], [ 0.8151513934135437, 0.8151513934135437, 0.1848486363887787 ], [ 0.8151513934135437, 0.1848486363887787, 0.8151513934135437 ], [ 0.6848486065864563, 0.6848486065864563, 0.3151513636112213 ], [ 0.1848486363887787, 0.1848486363887787, 0.8151513934135437 ], [ 0.1848486363887787, 0.8151513934135437, 0.1848486363887787 ], [ 0.3151513636112213, 0.3151513636112213, 0.6848486065864563 ], [ 0.1848486363887787, 0.8151513934135437, 0.8151513934135437 ], [ 0.3151513636112213, 0.3151513636112213, 0.3151513636112213 ], [ 0.8151513934135437, 0.1848486363887787, 0.1848486363887787 ], [ 0.6848486065864563, 0.6848486065864563, 0.6848486065864563 ], [ 0.6848486065864563, 0.3151513636112213, 0.6848486065864563 ], [ 0.3151513636112213, 0.6848486065864563, 0.3151513636112213 ], [ 0.3151513636112213, 0.6848486065864563, 0.6848486065864563 ], [ 0.6848486065864563, 0.3151513636112213, 0.3151513636112213 ] ]	{ "a": 10.954578399658203, "b": 10.954578399658203, "c": 10.954578399658203, "alpha": 90, "beta": 90, "gamma": 90 }	223	Rb4Ge23	hard_negative	false	null	0	0	-0.083464	true	[ "metallic" ]	null
mp-1213747	[ "Cr", "As" ]	[ 24, 24, 24, 24, 24, 24, 33, 33 ]	8	2	[ [ 0.25, 0, 0.5 ], [ 0.75, 0, 0.5 ], [ 0.5, 0.25, 0 ], [ 0.5, 0.75, 0 ], [ 0, 0.5, 0.25 ], [ 0, 0.5, 0.75 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]	{ "a": 4.544053554534912, "b": 4.544053554534912, "c": 4.544053554534912, "alpha": 90, "beta": 90, "gamma": 90 }	223	Cr3As	hard_negative	false	null	0	0.021468	-0.071338	true	[ "metallic" ]	null
mp-1214616	[ "Ge", "Ba" ]	[ 56, 56, 56, 56, 56, 56, 56, 56, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32 ]	54	2	[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0, 0.5 ], [ 0.75, 0, 0.5 ], [ 0.5, 0.25, 0 ], [ 0.5, 0.75, 0 ], [ 0, 0.5, 0.25 ], [ 0, 0.5, 0.75 ], [ 0, 0.11869067698717117, 0.30699577927589417 ], [ 0, 0.8813093304634094, 0.6930041909217834 ], [ 0, 0.8813093304634094, 0.30699577927589417 ], [ 0, 0.11869067698717117, 0.6930041909217834 ], [ 0.30699577927589417, 0, 0.11869067698717117 ], [ 0.6186906695365906, 0.5, 0.19300422072410583 ], [ 0.6930041909217834, 0, 0.8813093304634094 ], [ 0.3813093304634094, 0.5, 0.8069958090782166 ], [ 0.30699577927589417, 0, 0.8813093304634094 ], [ 0.3813093304634094, 0.5, 0.19300422072410583 ], [ 0.6930041909217834, 0, 0.11869067698717117 ], [ 0.6186906695365906, 0.5, 0.8069958090782166 ], [ 0.11869067698717117, 0.30699577927589417, 0 ], [ 0.5, 0.8069958090782166, 0.3813093304634094 ], [ 0.8813093304634094, 0.6930041909217834, 0 ], [ 0.5, 0.19300422072410583, 0.6186906695365906 ], [ 0.11869067698717117, 0.6930041909217834, 0 ], [ 0.5, 0.19300422072410583, 0.3813093304634094 ], [ 0.8813093304634094, 0.30699577927589417, 0 ], [ 0.5, 0.8069958090782166, 0.6186906695365906 ], [ 0.19300422072410583, 0.6186906695365906, 0.5 ], [ 0.8069958090782166, 0.3813093304634094, 0.5 ], [ 0.19300422072410583, 0.3813093304634094, 0.5 ], [ 0.8069958090782166, 0.6186906695365906, 0.5 ], [ 0.1845245212316513, 0.1845245212316513, 0.1845245212316513 ], [ 0.8154754638671875, 0.8154754638671875, 0.8154754638671875 ], [ 0.8154754638671875, 0.8154754638671875, 0.1845245212316513 ], [ 0.8154754638671875, 0.1845245212316513, 0.8154754638671875 ], [ 0.6845245361328125, 0.6845245361328125, 0.3154754936695099 ], [ 0.1845245212316513, 0.1845245212316513, 0.8154754638671875 ], [ 0.1845245212316513, 0.8154754638671875, 0.1845245212316513 ], [ 0.3154754936695099, 0.3154754936695099, 0.6845245361328125 ], [ 0.1845245212316513, 0.8154754638671875, 0.8154754638671875 ], [ 0.3154754936695099, 0.3154754936695099, 0.3154754936695099 ], [ 0.8154754638671875, 0.1845245212316513, 0.1845245212316513 ], [ 0.6845245361328125, 0.6845245361328125, 0.6845245361328125 ], [ 0.6845245361328125, 0.3154754936695099, 0.6845245361328125 ], [ 0.3154754936695099, 0.6845245361328125, 0.3154754936695099 ], [ 0.3154754936695099, 0.6845245361328125, 0.6845245361328125 ], [ 0.6845245361328125, 0.3154754936695099, 0.3154754936695099 ], [ 0.25, 0.5, 0 ], [ 0.75, 0.5, 0 ], [ 0, 0.25, 0.5 ], [ 0, 0.75, 0.5 ], [ 0.5, 0, 0.25 ], [ 0.5, 0, 0.75 ] ]	{ "a": 11.150016784667969, "b": 11.150016784667969, "c": 11.150016784667969, "alpha": 90, "beta": 90, "gamma": 90 }	223	Ba4Ge23	hard_negative	false	null	0	0.056386	-0.179283	true	[ "metallic" ]	null
mp-1221	[ "V", "Ge" ]	[ 23, 23, 23, 23, 23, 23, 32, 32 ]	8	2	[ [ 0.5, 0.25, 0 ], [ 0.5, 0.75, 0 ], [ 0.25, 0, 0.5 ], [ 0.75, 0, 0.5 ], [ 0, 0.5, 0.25 ], [ 0, 0.5, 0.75 ], [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ] ]	{ "a": 4.740179061889648, "b": 4.740179061889648, "c": 4.740179061889648, "alpha": 90, "beta": 90, "gamma": 90 }	223	V3Ge	hard_negative	false	null	0	0	-0.335025	true	[ "metallic" ]	null
mp-1231	[ "Cr", "Ga" ]	[ 24, 24, 24, 24, 24, 24, 31, 31 ]	8	2	[ [ 0.25, 0, 0.5 ], [ 0.75, 0, 0.5 ], [ 0, 0.5, 0.25 ], [ 0, 0.5, 0.75 ], [ 0.5, 0.75, 0 ], [ 0.5, 0.25, 0 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]	{ "a": 4.55620813369751, "b": 4.55620813369751, "c": 4.55620813369751, "alpha": 90, "beta": 90, "gamma": 90 }	223	Cr3Ga	hard_negative	false	null	0	0.185049	0.152238	true	[ "metallic" ]	null
mp-1232	[ "Mo", "Pt" ]	[ 42, 42, 42, 42, 42, 42, 78, 78 ]	8	2	[ [ 0.25, 0, 0.5 ], [ 0.75, 0, 0.5 ], [ 0, 0.5, 0.25 ], [ 0, 0.5, 0.75 ], [ 0.5, 0.75, 0 ], [ 0.5, 0.25, 0 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]	{ "a": 4.991176128387451, "b": 4.991176128387451, "c": 4.991176128387451, "alpha": 90, "beta": 90, "gamma": 90 }	223	Mo3Pt	hard_negative	false	null	0	0.076286	-0.102764	true	[ "metallic" ]	null
mp-1272	[ "Cr", "Ru" ]	[ 24, 24, 24, 24, 24, 24, 44, 44 ]	8	2	[ [ 0.25, 0, 0.5 ], [ 0.75, 0, 0.5 ], [ 0, 0.5, 0.25 ], [ 0, 0.5, 0.75 ], [ 0.5, 0.75, 0 ], [ 0.5, 0.25, 0 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]	{ "a": 4.632631778717041, "b": 4.632631778717041, "c": 4.632631778717041, "alpha": 90, "beta": 90, "gamma": 90 }	223	Cr3Ru	hard_negative	false	null	0	0.08199	0.08199	true	[ "metallic" ]	null
mp-1275	[ "Si", "Mo" ]	[ 14, 14, 42, 42, 42, 42, 42, 42 ]	8	2	[ [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ], [ 0, 0.5, 0.25 ], [ 0, 0.5, 0.75 ], [ 0.5, 0.75, 0 ], [ 0.5, 0.25, 0 ], [ 0.75, 0, 0.5 ], [ 0.25, 0, 0.5 ] ]	{ "a": 4.889695167541504, "b": 4.889695167541504, "c": 4.889695167541504, "alpha": 90, "beta": 90, "gamma": 90 }	223	SiMo3	hard_negative	false	null	0	0	-0.322261	true	[ "metallic" ]	null

mp-979945

[ "V", "Yb" ]

[ 70, 70, 70, 23 ]

4

2

[ [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0 ] ]

{ "a": 4.737046718597412, "b": 4.737046718597412, "c": 4.737046718597412, "alpha": 90, "beta": 90, "gamma": 90 }

221

Yb3V

hard_negative

false

null

0

0.237141

true

[ "metallic" ]

null

mp-979956

[ "Mg", "Yb" ]

[ 70, 70, 70, 12 ]

4

2

[ [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.5 ], [ 0, 0.5, 0.5 ], [ 0, 0, 0 ] ]

{ "a": 4.822697162628174, "b": 4.822697162628174, "c": 4.822697162628174, "alpha": 90, "beta": 90, "gamma": 90 }

221

Yb3Mg

hard_negative

false

null

0

0.0749

0.028437

true

[ "metallic" ]

null

mp-979963

[ "Ti", "Yb" ]

[ 70, 70, 70, 22 ]

4

2

[ [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0 ] ]

{ "a": 4.749492168426514, "b": 4.749492168426514, "c": 4.749492168426514, "alpha": 90, "beta": 90, "gamma": 90 }

221

Yb3Ti

hard_negative

false

null

0

0.156354

true

[ "metallic" ]

null

mp-979984

[ "P", "Yb" ]

[ 70, 15, 15, 15 ]

4

2

[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]

{ "a": 4.088846206665039, "b": 4.088846206665039, "c": 4.088846206665039, "alpha": 90, "beta": 90, "gamma": 90 }

221

YbP3

hard_negative

false

null

0

0.30098

-0.26422

true

[ "metallic" ]

null

mp-980001

[ "Pr", "Yb" ]

[ 70, 59, 59, 59 ]

4

2

[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]

{ "a": 5.169693946838379, "b": 5.169693946838379, "c": 5.169693946838379, "alpha": 90, "beta": 90, "gamma": 90 }

221

YbPr3

hard_negative

false

null

0

0.028413

true

[ "metallic" ]

null

mp-980014

[ "Tm", "Th" ]

[ 69, 90, 90, 90 ]

4

2

[ [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0.5, 0 ], [ 0, 0, 0.5 ] ]

{ "a": 5.03771448135376, "b": 5.03771448135376, "c": 5.03771448135376, "alpha": 90, "beta": 90, "gamma": 90 }

221

TmTh3

hard_negative

false

null

0

0.042858

true

[ "metallic" ]

null

mp-980063

[ "Dy", "Yb" ]

[ 70, 66, 66, 66 ]

4

2

[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]

{ "a": 4.991770267486572, "b": 4.991770267486572, "c": 4.991770267486572, "alpha": 90, "beta": 90, "gamma": 90 }

221

YbDy3

hard_negative

false

null

0

0.047278

0.043645

true

[ "metallic" ]

null

mp-980082

[ "Y", "Ho" ]

[ 39, 67, 67, 67 ]

4

2

[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]

{ "a": 5.022151470184326, "b": 5.022151470184326, "c": 5.022151470184326, "alpha": 90, "beta": 90, "gamma": 90 }

221

YHo3

hard_negative

false

null

0

0.065197

0.063394

true

[ "metallic" ]

null

mp-980203

[ "Ti", "Os" ]

[ 22, 76, 76, 76 ]

4

2

[ [ 0, 0, 0 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.5 ], [ 0, 0.5, 0.5 ] ]

{ "a": 3.8877339363098145, "b": 3.8877339363098145, "c": 3.8877339363098145, "alpha": 90, "beta": 90, "gamma": 90 }

221

TiOs3

hard_negative

false

null

0

0.219765

-0.194885

true

[ "metallic" ]

null

mp-980646

[ "Si", "Tm" ]

[ 69, 14, 14, 14 ]

4

2

[ [ 0.5, 0.5, 0.5 ], [ 0.5, 0, 0 ], [ 0, 0.5, 0 ], [ 0, 0, 0.5 ] ]

{ "a": 4.105045795440674, "b": 4.105045795440674, "c": 4.105045795440674, "alpha": 90, "beta": 90, "gamma": 90 }

221

TmSi3

hard_negative

false

null

0

0.243736

-0.21722

true

[ "metallic" ]

null

mp-980941

[ "N", "Ti" ]

[ 22, 22, 22, 7 ]

4

2

[ [ 0.5, 0, 0.5 ], [ 0, 0.5, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0 ] ]

{ "a": 3.696906089782715, "b": 3.696906089782715, "c": 3.696906089782715, "alpha": 90, "beta": 90, "gamma": 90 }

221

Ti3N

hard_negative

false

null

0

1.344308

0.253594

true

[ "metallic" ]

null

mp-980945

[ "Ti", "Nb" ]

[ 22, 22, 22, 41 ]

4

2

[ [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0 ] ]

{ "a": 4.133432865142822, "b": 4.133432865142822, "c": 4.133432865142822, "alpha": 90, "beta": 90, "gamma": 90 }

221

Ti3Nb

hard_negative

false

null

0

0.08445

true

[ "metallic" ]

null

mp-980946

[ "Cr", "Sr" ]

[ 38, 38, 38, 24 ]

4

2

[ [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0 ] ]

{ "a": 5.535728931427002, "b": 5.535728931427002, "c": 5.535728931427002, "alpha": 90, "beta": 90, "gamma": 90 }

221

Sr3Cr

hard_negative

false

null

0

0.495599

true

[ "metallic" ]

null

mp-981209

[ "Ti", "Ni" ]

[ 22, 22, 22, 28 ]

4

2

[ [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0 ] ]

{ "a": 3.9351749420166016, "b": 3.9351749420166016, "c": 3.9351749420166016, "alpha": 90, "beta": 90, "gamma": 90 }

221

Ti3Ni

hard_negative

false

null

0

0.129035

-0.078961

true

[ "metallic" ]

null

mp-981215

[ "Co", "Zn" ]

[ 30, 30, 30, 27 ]

4

2

[ [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0 ] ]

{ "a": 3.685852289199829, "b": 3.685852289199829, "c": 3.685852289199829, "alpha": 90, "beta": 90, "gamma": 90 }

221

Zn3Co

hard_negative

false

null

0

0.0556

0.00577

true

[ "metallic" ]

null

mp-981384

[ "Sc", "Os" ]

[ 21, 76, 76, 76 ]

4

2

[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]

{ "a": 3.9572839736938477, "b": 3.9572839736938477, "c": 3.9572839736938477, "alpha": 90, "beta": 90, "gamma": 90 }

221

ScOs3

hard_negative

false

null

0

0.384095

0.099033

true

[ "metallic" ]

null

mp-981387

[ "Hg", "Bi" ]

[ 80, 80, 80, 83 ]

4

2

[ [ 0.5, 0, 0 ], [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ] ]

{ "a": 4.759273052215576, "b": 4.759273052215576, "c": 4.759273052215576, "alpha": 90, "beta": 90, "gamma": 90 }

221

Hg3Bi

hard_negative

false

null

0

0.115784

true

[ "metallic" ]

null

mp-981390

[ "Hg", "Bi" ]

[ 80, 83, 83, 83 ]

4

2

[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]

{ "a": 4.956289768218994, "b": 4.956289768218994, "c": 4.956289768218994, "alpha": 90, "beta": 90, "gamma": 90 }

221

HgBi3

hard_negative

false

null

0

0.125786

true

[ "metallic" ]

null

mp-981435

[ "La", "Np" ]

[ 57, 93, 93, 93 ]

4

2

[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.5 ] ]

{ "a": 4.567636966705322, "b": 4.567636966705322, "c": 4.567636966705322, "alpha": 90, "beta": 90, "gamma": 90 }

221

LaNp3

hard_negative

false

null

0

0.706052

true

[ "metallic" ]

null

mp-981545

[ "Zr", "Ho" ]

[ 67, 67, 67, 40 ]

4

2

[ [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0 ] ]

{ "a": 4.851889133453369, "b": 4.851889133453369, "c": 4.851889133453369, "alpha": 90, "beta": 90, "gamma": 90 }

221

Ho3Zr

hard_negative

false

null

0

0.08455

true

[ "metallic" ]

null

mp-981546

[ "Pr", "Ho" ]

[ 59, 67, 67, 67 ]

4

2

[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]

{ "a": 5.058958530426025, "b": 5.058958530426025, "c": 5.058958530426025, "alpha": 90, "beta": 90, "gamma": 90 }

221

PrHo3

hard_negative

false

null

0

0.052546

true

[ "metallic" ]

null

mp-981662

[ "Yb", "U" ]

[ 70, 92, 92, 92 ]

4

2

[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]

{ "a": 4.486130237579346, "b": 4.486130237579346, "c": 4.486130237579346, "alpha": 90, "beta": 90, "gamma": 90 }

221

YbU3

hard_negative

false

null

0

0.571368

true

[ "metallic" ]

null

mp-982

[ "Pd", "Tm" ]

[ 69, 46, 46, 46 ]

4

2

[ [ 0, 0, 0 ], [ 0.5, 0, 0.5 ], [ 0, 0.5, 0.5 ], [ 0.5, 0.5, 0 ] ]

{ "a": 4.059013366699219, "b": 4.059013366699219, "c": 4.059013366699219, "alpha": 90, "beta": 90, "gamma": 90 }

221

TmPd3

hard_negative

false

null

0

-0.953766

true

[ "metallic" ]

null

mp-982048

[ "O", "Ge" ]

[ 32, 32, 8, 8, 8 ]

5

2

[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.5 ], [ 0, 0.5, 0.5 ] ]

{ "a": 3.7342946529388428, "b": 3.7342946529388428, "c": 3.7342946529388428, "alpha": 90, "beta": 90, "gamma": 90 }

221

Ge2O3

general_inorganic

false

null

0.682

0.454093

-1.486897

false

[ "oxide" ]

null

mp-982665

[ "K", "In" ]

[ 19, 19, 19, 49 ]

4

2

[ [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0 ] ]

{ "a": 5.770557880401611, "b": 5.770557880401611, "c": 5.770557880401611, "alpha": 90, "beta": 90, "gamma": 90 }

221

K3In

hard_negative

false

null

0

0.141514

0.08414

true

[ "metallic" ]

null

mp-982773

[ "Na", "Tl" ]

[ 11, 11, 11, 81 ]

4

2

[ [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0 ] ]

{ "a": 4.909226894378662, "b": 4.909226894378662, "c": 4.909226894378662, "alpha": 90, "beta": 90, "gamma": 90 }

221

Na3Tl

hard_negative

false

null

0

0.022762

-0.080652

true

[ "metallic" ]

null

mp-982780

[ "K", "Cd" ]

[ 19, 19, 19, 48 ]

4

2

[ [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0 ] ]

{ "a": 5.952904224395752, "b": 5.952904224395752, "c": 5.952904224395752, "alpha": 90, "beta": 90, "gamma": 90 }

221

K3Cd

hard_negative

false

null

0

0.05621

0.021702

true

[ "metallic" ]

null

mp-982880

[ "Y", "Pm" ]

[ 61, 61, 61, 39 ]

4

2

[ [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0 ] ]

{ "a": 5.152166843414307, "b": 5.152166843414307, "c": 5.152166843414307, "alpha": 90, "beta": 90, "gamma": 90 }

221

Pm3Y

hard_negative

false

null

0

0.042442

true

[ "metallic" ]

null

mp-983230

[ "B", "Ga" ]

[ 31, 31, 31, 5 ]

4

2

[ [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0 ] ]

{ "a": 3.959949016571045, "b": 3.959949016571045, "c": 3.959949016571045, "alpha": 90, "beta": 90, "gamma": 90 }

221

Ga3B

hard_negative

false

null

0

0.734098

true

[ "metallic" ]

null

mp-983237

[ "Ga", "Bi" ]

[ 31, 31, 31, 83 ]

4

2

[ [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0 ] ]

{ "a": 4.530755043029785, "b": 4.530755043029785, "c": 4.530755043029785, "alpha": 90, "beta": 90, "gamma": 90 }

221

Ga3Bi

hard_negative

false

null

0

0.072513

0.069062

true

[ "metallic" ]

null

mp-983497

[ "Zn", "Pa" ]

[ 91, 91, 91, 30 ]

4

2

[ [ 0.5, 0, 0 ], [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ] ]

{ "a": 4.508803844451904, "b": 4.508803844451904, "c": 4.508803844451904, "alpha": 90, "beta": 90, "gamma": 90 }

221

Pa3Zn

hard_negative

false

null

0

0.080064

0.037669

true

[ "metallic" ]

null

mp-983539

[ "Be", "Au" ]

[ 4, 79, 79, 79 ]

4

2

[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]

{ "a": 4.0117058753967285, "b": 4.0117058753967285, "c": 4.0117058753967285, "alpha": 90, "beta": 90, "gamma": 90 }

221

BeAu3

hard_negative

false

null

0

0.181831

0.080005

true

[ "metallic" ]

null

mp-983584

[ "Al", "Tl" ]

[ 13, 13, 13, 81 ]

4

2

[ [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0 ] ]

{ "a": 4.354231834411621, "b": 4.354231834411621, "c": 4.354231834411621, "alpha": 90, "beta": 90, "gamma": 90 }

221

Al3Tl

hard_negative

false

null

0

0.284704

true

[ "metallic" ]

null

mp-983585

[ "Al", "Zn" ]

[ 13, 13, 13, 30 ]

4

2

[ [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0 ] ]

{ "a": 3.9687719345092773, "b": 3.9687719345092773, "c": 3.9687719345092773, "alpha": 90, "beta": 90, "gamma": 90 }

221

Al3Zn

hard_negative

false

null

0

0.036298

true

[ "metallic" ]

null

mp-983590

[ "Be", "Fe" ]

[ 4, 4, 4, 26 ]

4

2

[ [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0 ] ]

{ "a": 3.2390010356903076, "b": 3.2390010356903076, "c": 3.2390010356903076, "alpha": 90, "beta": 90, "gamma": 90 }

221

Be3Fe

hard_negative

false

null

0

-0.208987

true

[ "metallic" ]

null

mp-983594

[ "Al", "Ga" ]

[ 13, 13, 13, 31 ]

4

2

[ [ 0.5, 0.5, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0, 0, 0 ] ]

{ "a": 4.002791881561279, "b": 4.002791881561279, "c": 4.002791881561279, "alpha": 90, "beta": 90, "gamma": 90 }

221

Al3Ga

hard_negative

false

null

0

0.043444

true

[ "metallic" ]

null

mp-983604

[ "As", "Er" ]

[ 68, 68, 68, 33 ]

4

2

[ [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0 ] ]

{ "a": 4.5999908447265625, "b": 4.5999908447265625, "c": 4.5999908447265625, "alpha": 90, "beta": 90, "gamma": 90 }

221

Er3As

hard_negative

false

null

0

0.371841

-0.518883

true

[ "metallic" ]

null

mp-984518

[ "Cu", "Ga" ]

[ 31, 31, 31, 29 ]

4

2

[ [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0 ] ]

{ "a": 4.035333156585693, "b": 4.035333156585693, "c": 4.035333156585693, "alpha": 90, "beta": 90, "gamma": 90 }

221

Ga3Cu

hard_negative

false

null

0

0.122285

0.062145

true

[ "metallic" ]

null

mp-984700

[ "Y", "Ce" ]

[ 58, 39, 39, 39 ]

4

2

[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]

{ "a": 5.058812141418457, "b": 5.058812141418457, "c": 5.058812141418457, "alpha": 90, "beta": 90, "gamma": 90 }

221

CeY3

hard_negative

false

null

0

0.075263

true

[ "metallic" ]

null

mp-984711

[ "Cr", "Cu" ]

[ 24, 24, 24, 29 ]

4

2

[ [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0 ] ]

{ "a": 3.6019179821014404, "b": 3.6019179821014404, "c": 3.6019179821014404, "alpha": 90, "beta": 90, "gamma": 90 }

221

Cr3Cu

hard_negative

false

null

0

0.293847

true

[ "metallic" ]

null

mp-984713

[ "Ga", "Dy" ]

[ 66, 66, 66, 31 ]

4

2

[ [ 0.5, 0.5, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0, 0, 0 ] ]

{ "a": 4.720685958862305, "b": 4.720685958862305, "c": 4.720685958862305, "alpha": 90, "beta": 90, "gamma": 90 }

221

Dy3Ga

hard_negative

false

null

0

0.095112

-0.307413

true

[ "metallic" ]

null

mp-984717

[ "Be", "Ni" ]

[ 4, 28, 28, 28 ]

4

2

[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]

{ "a": 3.418936014175415, "b": 3.418936014175415, "c": 3.418936014175415, "alpha": 90, "beta": 90, "gamma": 90 }

221

BeNi3

hard_negative

false

null

0

0.072911

-0.16123

true

[ "metallic" ]

null

mp-984719

[ "Be", "Ag" ]

[ 4, 47, 47, 47 ]

4

2

[ [ 0, 0, 0 ], [ 0.5, 0, 0.5 ], [ 0, 0.5, 0.5 ], [ 0.5, 0.5, 0 ] ]

{ "a": 3.990715980529785, "b": 3.990715980529785, "c": 3.990715980529785, "alpha": 90, "beta": 90, "gamma": 90 }

221

BeAg3

hard_negative

false

null

0

0.228242

true

[ "metallic" ]

null

mp-984727

[ "Br", "Ce" ]

[ 58, 58, 58, 35 ]

4

2

[ [ 0.5, 0, 0 ], [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ] ]

{ "a": 4.574962139129639, "b": 4.574962139129639, "c": 4.574962139129639, "alpha": 90, "beta": 90, "gamma": 90 }

221

Ce3Br

hard_negative

false

null

0

0.413167

-0.354604

true

[ "halide", "metallic" ]

null

mp-985

[ "Cu", "Tm" ]

[ 69, 29 ]

2

[ [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ] ]

{ "a": 3.3844869136810303, "b": 3.3844869136810303, "c": 3.3844869136810303, "alpha": 90, "beta": 90, "gamma": 90 }

221

TmCu

hard_negative

false

null

0

-0.300832

true

[ "metallic" ]

null

mp-985282

[ "Ge", "Ag" ]

[ 47, 47, 47, 32 ]

4

2

[ [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0.5, 0.5 ], [ 0, 0, 0 ] ]

{ "a": 4.162825107574463, "b": 4.162825107574463, "c": 4.162825107574463, "alpha": 90, "beta": 90, "gamma": 90 }

221

Ag3Ge

hard_negative

false

null

0

0.099731

true

[ "metallic" ]

null

mp-985285

[ "Co", "Hg" ]

[ 27, 80, 80, 80 ]

4

2

[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]

{ "a": 4.288467884063721, "b": 4.288467884063721, "c": 4.288467884063721, "alpha": 90, "beta": 90, "gamma": 90 }

221

CoHg3

hard_negative

false

null

0

0.474176

true

[ "metallic" ]

null

mp-985297

[ "Rh", "Ag" ]

[ 47, 47, 47, 45 ]

4

2

[ [ 0.5, 0, 0 ], [ 0, 0.5, 0 ], [ 0, 0, 0.5 ], [ 0.5, 0.5, 0.5 ] ]

{ "a": 4.076066970825195, "b": 4.076066970825195, "c": 4.076066970825195, "alpha": 90, "beta": 90, "gamma": 90 }

221

Ag3Rh

hard_negative

false

null

0

0.221649

true

[ "metallic" ]

null

mp-985300

[ "Er", "Ac" ]

[ 89, 68, 68, 68 ]

4

2

[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0, 0.5 ], [ 0.5, 0.5, 0 ] ]

{ "a": 5.140364170074463, "b": 5.140364170074463, "c": 5.140364170074463, "alpha": 90, "beta": 90, "gamma": 90 }

221

AcEr3

hard_negative

false

null

0

0.075355

true

[ "metallic" ]

null

mp-985443

[ "Ag", "Hg" ]

[ 47, 47, 47, 80 ]

4

2

[ [ 0.5, 0, 0.5 ], [ 0, 0.5, 0.5 ], [ 0.5, 0.5, 0 ], [ 0, 0, 0 ] ]

{ "a": 4.192114353179932, "b": 4.192114353179932, "c": 4.192114353179932, "alpha": 90, "beta": 90, "gamma": 90 }

221

Ag3Hg

hard_negative

false

null

0

0.031825

true

[ "metallic" ]

null

mp-985588

[ "Cl", "Fe" ]

[ 26, 17 ]

2

[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]

{ "a": 3.1022400856018066, "b": 3.1022400856018066, "c": 3.1022400856018066, "alpha": 90, "beta": 90, "gamma": 90 }

221

FeCl

hard_negative

false

null

0

0.933269

0.072552

true

[ "halide", "metallic" ]

null

mp-986

[ "Zn", "Ce" ]

[ 58, 30 ]

2

[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]

{ "a": 3.626885175704956, "b": 3.626885175704956, "c": 3.626885175704956, "alpha": 90, "beta": 90, "gamma": 90 }

221

CeZn

hard_negative

false

null

0

0.029318

-0.191598

true

[ "metallic" ]

null

mp-987

[ "Cu", "Zn" ]

[ 30, 29 ]

2

[ [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ] ]

{ "a": 2.9205539226531982, "b": 2.9205539226531982, "c": 2.9205539226531982, "alpha": 90, "beta": 90, "gamma": 90 }

221

ZnCu

hard_negative

false

null

0

-0.090755

true

[ "metallic" ]

null

mp-998896

[ "C", "Y" ]

[ 39, 6 ]

2

[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]

{ "a": 3.1104469299316406, "b": 3.1104469299316406, "c": 3.1104469299316406, "alpha": 90, "beta": 90, "gamma": 90 }

221

YC

hard_negative

false

null

0

0.888898

0.595187

true

[ "metallic" ]

null

mp-998897

[ "Y", "Sb" ]

[ 39, 51 ]

2

[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]

{ "a": 3.80479097366333, "b": 3.80479097366333, "c": 3.80479097366333, "alpha": 90, "beta": 90, "gamma": 90 }

221

YSb

hard_negative

false

null

0

0.351147

-1.035208

true

[ "metallic" ]

null

mp-998901

[ "C", "Th" ]

[ 90, 6 ]

2

[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]

{ "a": 3.1929850578308105, "b": 3.1929850578308105, "c": 3.1929850578308105, "alpha": 90, "beta": 90, "gamma": 90 }

221

ThC

hard_negative

false

null

0

0.644232

0.213495

true

[ "metallic" ]

null

mp-998903

[ "N", "Ti" ]

[ 22, 7 ]

2

[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]

{ "a": 2.6393039226531982, "b": 2.6393039226531982, "c": 2.6393039226531982, "alpha": 90, "beta": 90, "gamma": 90 }

221

TiN

hard_negative

false

null

0

0.890271

-1.052396

true

[ "metallic" ]

null

mp-998947

[ "Ti", "Ru" ]

[ 22, 44, 44, 44 ]

4

2

[ [ 0, 0, 0 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.5 ], [ 0, 0.5, 0.5 ] ]

{ "a": 3.859584093093872, "b": 3.859584093093872, "c": 3.859584093093872, "alpha": 90, "beta": 90, "gamma": 90 }

221

TiRu3

hard_negative

false

null

0

0.17324

-0.24663

true

[ "metallic" ]

null

mp-998981

[ "Al", "Ti" ]

[ 22, 13, 13, 13 ]

4

2

[ [ 0, 0, 0 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.5 ], [ 0, 0.5, 0.5 ] ]

{ "a": 3.9556713104248047, "b": 3.9556713104248047, "c": 3.9556713104248047, "alpha": 90, "beta": 90, "gamma": 90 }

221

TiAl3

hard_negative

false

null

0

0.023057

-0.410832

true

[ "metallic" ]

null

mp-999188

[ "Ni", "Nb" ]

[ 41, 28, 28, 28 ]

4

2

[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.5 ] ]

{ "a": 3.69547700881958, "b": 3.69547700881958, "c": 3.69547700881958, "alpha": 90, "beta": 90, "gamma": 90 }

221

NbNi3

hard_negative

false

null

0

0.162264

-0.130355

true

[ "metallic" ]

null

mp-999189

[ "Fe", "Ni" ]

[ 26, 26, 26, 28 ]

4

2

[ [ 0, 0.5, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.5 ], [ 0, 0, 0 ] ]

{ "a": 3.58463191986084, "b": 3.58463191986084, "c": 3.58463191986084, "alpha": 90, "beta": 90, "gamma": 90 }

221

Fe3Ni

hard_negative

false

null

0

0.077636

0.044024

true

[ "metallic" ]

null

mp-999292

[ "N", "Pd" ]

[ 46, 46, 46, 7 ]

4

2

[ [ 0, 0.5, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.5 ], [ 0, 0, 0 ] ]

{ "a": 3.8326940536499023, "b": 3.8326940536499023, "c": 3.8326940536499023, "alpha": 90, "beta": 90, "gamma": 90 }

221

Pd3N

hard_negative

false

null

0

1.108272

true

[ "metallic" ]

null

mp-999298

[ "Pd", "Au" ]

[ 46, 46, 46, 79 ]

4

2

[ [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.5 ], [ 0, 0.5, 0.5 ], [ 0, 0, 0 ] ]

{ "a": 3.9676780700683594, "b": 3.9676780700683594, "c": 3.9676780700683594, "alpha": 90, "beta": 90, "gamma": 90 }

221

Pd3Au

hard_negative

false

null

0

-0.049388

true

[ "metallic" ]

null

mp-999393

[ "Cr", "Nb" ]

[ 41, 24, 24, 24 ]

4

2

[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.5 ] ]

{ "a": 3.8069729804992676, "b": 3.8069729804992676, "c": 3.8069729804992676, "alpha": 90, "beta": 90, "gamma": 90 }

221

NbCr3

hard_negative

false

null

0

0.543022

true

[ "metallic" ]

null

mp-999437

[ "Ni", "Nb" ]

[ 41, 41, 41, 28 ]

4

2

[ [ 0, 0.5, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.5 ], [ 0, 0, 0 ] ]

{ "a": 4.0457258224487305, "b": 4.0457258224487305, "c": 4.0457258224487305, "alpha": 90, "beta": 90, "gamma": 90 }

221

Nb3Ni

hard_negative

false

null

0

0.219884

0.108202

true

[ "metallic" ]

null

mp-999440

[ "Fe", "Nb" ]

[ 41, 41, 41, 26 ]

4

2

[ [ 0, 0.5, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.5 ], [ 0, 0, 0 ] ]

{ "a": 4.043299198150635, "b": 4.043299198150635, "c": 4.043299198150635, "alpha": 90, "beta": 90, "gamma": 90 }

221

Nb3Fe

hard_negative

false

null

0

0.341567

0.287466

true

[ "metallic" ]

null

mp-999446

[ "Cr", "Nb" ]

[ 41, 41, 41, 24 ]

4

2

[ [ 0, 0.5, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.5 ], [ 0, 0, 0 ] ]

{ "a": 4.136382102966309, "b": 4.136382102966309, "c": 4.136382102966309, "alpha": 90, "beta": 90, "gamma": 90 }

221

Nb3Cr

hard_negative

false

null

0

0.40011

true

[ "metallic" ]

null

mp-999469

[ "N", "Zn" ]

[ 30, 7 ]

2

[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]

{ "a": 2.6751997470855713, "b": 2.6751997470855713, "c": 2.6751997470855713, "alpha": 90, "beta": 90, "gamma": 90 }

221

ZnN

hard_negative

false

null

0

1.134708

1.098939

true

[ "metallic" ]

null

mp-999484

[ "Ti", "Y" ]

[ 39, 22 ]

2

[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]

{ "a": 3.6580920219421387, "b": 3.6580920219421387, "c": 3.6580920219421387, "alpha": 90, "beta": 90, "gamma": 90 }

221

YTi

hard_negative

false

null

0

0.364475

true

[ "metallic" ]

null

mp-999543

[ "Mn", "Co" ]

[ 25, 27, 27, 27 ]

4

2

[ [ 0, 0, 0 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.5 ], [ 0, 0.5, 0.5 ] ]

{ "a": 3.544687032699585, "b": 3.544687032699585, "c": 3.544687032699585, "alpha": 90, "beta": 90, "gamma": 90 }

221

MnCo3

hard_negative

false

null

0

0.109641

0.102987

true

[ "metallic" ]

null

mp-10229

[ "Si", "Nb" ]

[ 41, 41, 41, 41, 41, 41, 14, 14 ]

8

2

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

{ "a": 5.12793493270874, "b": 5.12793493270874, "c": 5.12793493270874, "alpha": 90, "beta": 90, "gamma": 90 }

223

Nb3Si

hard_negative

false

null

0

0.111805

-0.370339

true

[ "metallic" ]

null

mp-1078558

[ "Na", "Cl" ]

[ 11, 11, 17, 17, 17, 17, 17, 17 ]

8

2

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

{ "a": 5.527005195617676, "b": 5.527005195617676, "c": 5.527005195617676, "alpha": 90, "beta": 90, "gamma": 90 }

223

NaCl3

hard_negative

false

null

0

0.240027

-0.779174

true

[ "halide", "metallic" ]

null

mp-1079399

[ "V", "Fe" ]

[ 23, 23, 23, 23, 23, 23, 26, 26 ]

8

2

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

{ "a": 4.618965148925781, "b": 4.618965148925781, "c": 4.618965148925781, "alpha": 90, "beta": 90, "gamma": 90 }

223

V3Fe

hard_negative

false

null

0

-0.171137

true

[ "metallic" ]

null

mp-1079689

[ "Pt", "Tl" ]

[ 81, 81, 81, 81, 81, 81, 78, 78 ]

8

2

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

{ "a": 5.910254001617432, "b": 5.910254001617432, "c": 5.910254001617432, "alpha": 90, "beta": 90, "gamma": 90 }

223

Tl3Pt

hard_negative

false

null

0

0.19861

0.118886

true

[ "metallic" ]

null

mp-1079796

[ "Ti", "Pd" ]

[ 22, 22, 22, 22, 22, 22, 46, 46 ]

8

2

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

{ "a": 5.05784273147583, "b": 5.05784273147583, "c": 5.05784273147583, "alpha": 90, "beta": 90, "gamma": 90 }

223

Ti3Pd

hard_negative

false

null

0

0.000426

-0.339544

true

[ "metallic" ]

null

mp-1079947

[ "N", "Pd" ]

[ 46, 46, 46, 46, 46, 46, 7, 7 ]

8

2

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

{ "a": 4.854610919952393, "b": 4.854610919952393, "c": 4.854610919952393, "alpha": 90, "beta": 90, "gamma": 90 }

223

Pd3N

hard_negative

false

null

0

1.229803

true

[ "metallic" ]

null

mp-1080016

[ "Ir", "Tl" ]

[ 81, 81, 81, 81, 81, 81, 77, 77 ]

8

2

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

{ "a": 5.734618186950684, "b": 5.734618186950684, "c": 5.734618186950684, "alpha": 90, "beta": 90, "gamma": 90 }

223

Tl3Ir

hard_negative

false

null

0

0.540015

true

[ "metallic" ]

null

mp-1080375

[ "Se", "Ce" ]

[ 58, 58, 58, 58, 58, 58, 58, 58, 58, 58, 58, 58, 58, 58, 58, 58, 58, 58, 58, 58, 58, 58, 58, 58, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34, 34 ]

72

2

[ [ 0.6374327540397644, 0.25, 0.1374327391386032 ], [ 0.75, 0.8625672459602356, 0.6374327540397644 ], [ 0.1374327391386032, 0.3625672459602356, 0.75 ], [ 0.3625672459602356, 0.75, 0.8625672459602356 ], [ 0.25, 0.1374327391386032, 0.3625672459602356 ], [ 0.8625672459602356, 0.6374327540397644, 0.25 ], [ 0.6374327540397644, 0.75, 0.8625672459602356 ], [ 0.75, 0.1374327391386032, 0.3625672459602356 ], [ 0.1374327391386032, 0.6374327540397644, 0.25 ], [ 0.3625672459602356, 0.25, 0.1374327391386032 ], [ 0.25, 0.8625672459602356, 0.6374327540397644 ], [ 0.8625672459602356, 0.3625672459602356, 0.75 ], [ 0.3625672459602356, 0.75, 0.1374327391386032 ], [ 0.25, 0.1374327391386032, 0.6374327540397644 ], [ 0.8625672459602356, 0.6374327540397644, 0.75 ], [ 0.6374327540397644, 0.25, 0.8625672459602356 ], [ 0.75, 0.8625672459602356, 0.3625672459602356 ], [ 0.1374327391386032, 0.3625672459602356, 0.25 ], [ 0.3625672459602356, 0.25, 0.8625672459602356 ], [ 0.25, 0.8625672459602356, 0.3625672459602356 ], [ 0.8625672459602356, 0.3625672459602356, 0.25 ], [ 0.6374327540397644, 0.75, 0.1374327391386032 ], [ 0.75, 0.1374327391386032, 0.6374327540397644 ], [ 0.1374327391386032, 0.6374327540397644, 0.75 ], [ 0.75, 0.3496135473251343, 0.15038643777370453 ], [ 0.6503864526748657, 0.8496135473251343, 0.75 ], [ 0.15038643777370453, 0.25, 0.6503864526748657 ], [ 0.25, 0.6503864526748657, 0.8496135473251343 ], [ 0.3496135473251343, 0.15038643777370453, 0.25 ], [ 0.8496135473251343, 0.75, 0.3496135473251343 ], [ 0.75, 0.6503864526748657, 0.8496135473251343 ], [ 0.6503864526748657, 0.15038643777370453, 0.25 ], [ 0.15038643777370453, 0.75, 0.3496135473251343 ], [ 0.25, 0.3496135473251343, 0.15038643777370453 ], [ 0.3496135473251343, 0.8496135473251343, 0.75 ], [ 0.8496135473251343, 0.25, 0.6503864526748657 ], [ 0.25, 0.6503864526748657, 0.15038643777370453 ], [ 0.3496135473251343, 0.15038643777370453, 0.75 ], [ 0.8496135473251343, 0.75, 0.6503864526748657 ], [ 0.75, 0.3496135473251343, 0.8496135473251343 ], [ 0.6503864526748657, 0.8496135473251343, 0.25 ], [ 0.15038643777370453, 0.25, 0.3496135473251343 ], [ 0.25, 0.3496135473251343, 0.8496135473251343 ], [ 0.3496135473251343, 0.8496135473251343, 0.25 ], [ 0.8496135473251343, 0.25, 0.3496135473251343 ], [ 0.75, 0.6503864526748657, 0.15038643777370453 ], [ 0.6503864526748657, 0.15038643777370453, 0.75 ], [ 0.15038643777370453, 0.75, 0.6503864526748657 ], [ 0.14936934411525726, 0.5, 0.3118340075016022 ], [ 0.5, 0.6881660223007202, 0.14936934411525726 ], [ 0.3118340075016022, 0.8506306409835815, 0.5 ], [ 0.8506306409835815, 0.5, 0.6881660223007202 ], [ 0.5, 0.3118340075016022, 0.8506306409835815 ], [ 0.6881660223007202, 0.14936934411525726, 0.5 ], [ 0.14936934411525726, 0.5, 0.6881660223007202 ], [ 0.3118340075016022, 0.14936934411525726, 0.5 ], [ 0.8506306409835815, 0.5, 0.3118340075016022 ], [ 0.6881660223007202, 0.8506306409835815, 0.5 ], [ 0.5, 0.3118340075016022, 0.14936934411525726 ], [ 0.5, 0.6881660223007202, 0.8506306409835815 ], [ 0.6493693590164185, 0.8118339776992798, 0 ], [ 0, 0.6493693590164185, 0.18816600739955902 ], [ 0.8118339776992798, 0, 0.35063064098358154 ], [ 0.35063064098358154, 0.18816600739955902, 0 ], [ 0, 0.35063064098358154, 0.8118339776992798 ], [ 0.18816600739955902, 0, 0.6493693590164185 ], [ 0.6493693590164185, 0.18816600739955902, 0 ], [ 0.8118339776992798, 0, 0.6493693590164185 ], [ 0.35063064098358154, 0.8118339776992798, 0 ], [ 0.18816600739955902, 0, 0.35063064098358154 ], [ 0, 0.6493693590164185, 0.8118339776992798 ], [ 0, 0.35063064098358154, 0.18816600739955902 ] ]

{ "a": 18.118078231811523, "b": 18.118078231811523, "c": 18.118078231811523, "alpha": 90, "beta": 90, "gamma": 90 }

223

CeSe2

general_inorganic

false

null

0.9467

0.534444

-1.404684

false

null

mp-1080476

[ "H", "Fe" ]

[ 26, 26, 1, 1, 1, 1, 1, 1 ]

8

2

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

{ "a": 3.2847259044647217, "b": 3.2847259044647217, "c": 3.2847259044647217, "alpha": 90, "beta": 90, "gamma": 90 }

223

FeH3

hard_negative

false

null

0

0.326972

0.293344

true

[ "metallic" ]

null

mp-1080569

[ "Au", "Tl" ]

[ 81, 81, 81, 81, 81, 81, 79, 79 ]

8

2

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

{ "a": 6.0897297859191895, "b": 6.0897297859191895, "c": 6.0897297859191895, "alpha": 90, "beta": 90, "gamma": 90 }

223

Tl3Au

hard_negative

false

null

0

0.069405

0.035072

true

[ "metallic" ]

null

mp-1101930

[ "O", "Mg" ]

[ 12, 12, 12, 12, 12, 12, 8, 8, 8, 8, 8, 8 ]

12

2

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

{ "a": 5.640577793121338, "b": 5.640577793121338, "c": 5.640577793121338, "alpha": 90, "beta": 90, "gamma": 90 }

223

MgO

general_inorganic

false

null

2.8821

0.135658

-2.902651

false

[ "oxide" ]

null

mp-11026

[ "Rb", "Hg" ]

[ 37, 37, 37, 37, 37, 37, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80 ]

46

2

[ [ 0, 0.25, 0.5 ], [ 0.5, 0, 0.25 ], [ 0.5, 0, 0.75 ], [ 0.75, 0.5, 0 ], [ 0.25, 0.5, 0 ], [ 0, 0.75, 0.5 ], [ 0.8671839833259583, 0, 0.7414550185203552 ], [ 0.6328160166740417, 0.24145500361919403, 0.5 ], [ 0.36718401312828064, 0.24145500361919403, 0.5 ], [ 0.36718401312828064, 0.7585449814796448, 0.5 ], [ 0.75, 0, 0.5 ], [ 0.5, 0.6328160166740417, 0.24145500361919403 ], [ 0.7414550185203552, 0.8671839833259583, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.25854501128196716, 0.13281600177288055, 0 ], [ 0.5, 0.25, 0 ], [ 0.5, 0.36718401312828064, 0.24145500361919403 ], [ 0.25, 0.75, 0.75 ], [ 0, 0.25854501128196716, 0.8671839833259583 ], [ 0.7414550185203552, 0.13281600177288055, 0 ], [ 0.13281600177288055, 0, 0.25854501128196716 ], [ 0.5, 0.6328160166740417, 0.7585449814796448 ], [ 0.25, 0.75, 0.25 ], [ 0.7585449814796448, 0.5, 0.6328160166740417 ], [ 0.25, 0, 0.5 ], [ 0.24145500361919403, 0.5, 0.36718401312828064 ], [ 0.24145500361919403, 0.5, 0.6328160166740417 ], [ 0.75, 0.75, 0.25 ], [ 0, 0.25854501128196716, 0.13281600177288055 ], [ 0.6328160166740417, 0.7585449814796448, 0.5 ], [ 0.25, 0.25, 0.75 ], [ 0, 0, 0 ], [ 0.5, 0.36718401312828064, 0.7585449814796448 ], [ 0.25854501128196716, 0.8671839833259583, 0 ], [ 0.75, 0.25, 0.75 ], [ 0, 0.5, 0.75 ], [ 0, 0.5, 0.25 ], [ 0, 0.7414550185203552, 0.13281600177288055 ], [ 0.75, 0.25, 0.25 ], [ 0.7585449814796448, 0.5, 0.36718401312828064 ], [ 0.5, 0.75, 0 ], [ 0.5, 0.5, 0.5 ], [ 0, 0.7414550185203552, 0.8671839833259583 ], [ 0.8671839833259583, 0, 0.25854501128196716 ], [ 0.75, 0.75, 0.75 ], [ 0.13281600177288055, 0, 0.7414550185203552 ] ]

{ "a": 11.569549560546875, "b": 11.569549560546875, "c": 11.569549560546875, "alpha": 90, "beta": 90, "gamma": 90 }

223

Rb3Hg20

hard_negative

false

null

0

0.012805

-0.120736

true

[ "metallic" ]

null

mp-11027

[ "Cs", "Hg" ]

[ 55, 55, 55, 55, 55, 55, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80, 80 ]

46

2

[ [ 0, 0.25, 0.5 ], [ 0, 0.75, 0.5 ], [ 0.5, 0, 0.75 ], [ 0.5, 0, 0.25 ], [ 0.75, 0.5, 0 ], [ 0.25, 0.5, 0 ], [ 0.5, 0.6347064971923828, 0.7559757232666016 ], [ 0.3652935028076172, 0.7559757232666016, 0.5 ], [ 0.6347064971923828, 0.24402427673339844, 0.5 ], [ 0, 0.25597572326660156, 0.134706512093544 ], [ 0.134706512093544, 0, 0.25597572326660156 ], [ 0.8652935028076172, 0, 0.25597572326660156 ], [ 0, 0.7440242767333984, 0.8652935028076172 ], [ 0.8652935028076172, 0, 0.7440242767333984 ], [ 0, 0.7440242767333984, 0.134706512093544 ], [ 0, 0.25597572326660156, 0.8652935028076172 ], [ 0.134706512093544, 0, 0.7440242767333984 ], [ 0.25597572326660156, 0.8652935028076172, 0 ], [ 0.7440242767333984, 0.134706512093544, 0 ], [ 0.7440242767333984, 0.8652935028076172, 0 ], [ 0.6347064971923828, 0.7559757232666016, 0.5 ], [ 0.3652935028076172, 0.24402427673339844, 0.5 ], [ 0.5, 0.3652935028076172, 0.7559757232666016 ], [ 0.5, 0.3652935028076172, 0.24402427673339844 ], [ 0.24402427673339844, 0.5, 0.6347064971923828 ], [ 0.24402427673339844, 0.5, 0.3652935028076172 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.25, 0.75 ], [ 0.75, 0.75, 0.25 ], [ 0.25, 0.75, 0.75 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.75, 0.25 ], [ 0.25, 0.25, 0.75 ], [ 0.75, 0.25, 0.25 ], [ 0.25, 0, 0.5 ], [ 0.75, 0, 0.5 ], [ 0, 0.5, 0.25 ], [ 0, 0.5, 0.75 ], [ 0.5, 0.75, 0 ], [ 0.5, 0.25, 0 ], [ 0.5, 0.6347064971923828, 0.24402427673339844 ], [ 0.7559757232666016, 0.5, 0.3652935028076172 ], [ 0.7559757232666016, 0.5, 0.6347064971923828 ], [ 0.25597572326660156, 0.134706512093544, 0 ], [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ] ]

{ "a": 11.37172794342041, "b": 11.37172794342041, "c": 11.37172794342041, "alpha": 90, "beta": 90, "gamma": 90 }

223

Cs3Hg20

hard_negative

false

null

0

0.002357

-0.140463

true

[ "metallic" ]

null

mp-1120

[ "Mo", "Ir" ]

[ 42, 42, 42, 42, 42, 42, 77, 77 ]

8

2

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

{ "a": 5.002781867980957, "b": 5.002781867980957, "c": 5.002781867980957, "alpha": 90, "beta": 90, "gamma": 90 }

223

Mo3Ir

hard_negative

false

null

0

0.06502

-0.110201

true

[ "metallic" ]

null

mp-1120717

[ "V", "Bi" ]

[ 23, 23, 23, 23, 23, 23, 83, 83 ]

8

2

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

{ "a": 5.026607036590576, "b": 5.026607036590576, "c": 5.026607036590576, "alpha": 90, "beta": 90, "gamma": 90 }

223

V3Bi

general_inorganic

false

null

0.1072

0.158316

false

null

mp-11263

[ "Zr", "Au" ]

[ 40, 40, 40, 40, 40, 40, 79, 79 ]

8

2

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

{ "a": 5.508037567138672, "b": 5.508037567138672, "c": 5.508037567138672, "alpha": 90, "beta": 90, "gamma": 90 }

223

Zr3Au

hard_negative

false

null

0

-0.387765

true

[ "metallic" ]

null

mp-11271

[ "Be", "Mo" ]

[ 4, 4, 42, 42, 42, 42, 42, 42 ]

8

2

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

{ "a": 4.854444980621338, "b": 4.854444980621338, "c": 4.854444980621338, "alpha": 90, "beta": 90, "gamma": 90 }

223

BeMo3

hard_negative

false

null

0

0.121623

0.001654

true

[ "metallic" ]

null

mp-1147675

[ "Cl", "Rh" ]

[ 45, 45, 45, 45, 45, 45, 17, 17, 17, 17, 17, 17, 17, 17 ]

14

2

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

{ "a": 6.600964069366455, "b": 6.600964069366455, "c": 6.600964069366455, "alpha": 90, "beta": 90, "gamma": 90 }

223

Rh3Cl4

hard_negative

false

null

0

0.315821

-0.281996

true

[ "halide", "metallic" ]

null

mp-1200220

[ "Al", "Ir" ]

[ 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 77, 77, 77, 77, 77, 77, 77, 77 ]

32

2

[ [ 0.7995820045471191, 0.33657601475715637, 0.5 ], [ 0.663424015045166, 0.5, 0.7995820045471191 ], [ 0.5, 0.20041799545288086, 0.663424015045166 ], [ 0.20041799545288086, 0.663424015045166, 0.5 ], [ 0.33657601475715637, 0.5, 0.20041799545288086 ], [ 0.5, 0.7995820045471191, 0.33657601475715637 ], [ 0.7995820045471191, 0.663424015045166, 0.5 ], [ 0.663424015045166, 0.5, 0.20041799545288086 ], [ 0.20041799545288086, 0.33657601475715637, 0.5 ], [ 0.33657601475715637, 0.5, 0.7995820045471191 ], [ 0.5, 0.7995820045471191, 0.663424015045166 ], [ 0.5, 0.20041799545288086, 0.33657601475715637 ], [ 0.29958200454711914, 0, 0.836575984954834 ], [ 0.16342400014400482, 0.29958200454711914, 0 ], [ 0, 0.16342400014400482, 0.7004179954528809 ], [ 0.7004179954528809, 0, 0.16342400014400482 ], [ 0.836575984954834, 0.7004179954528809, 0 ], [ 0, 0.836575984954834, 0.29958200454711914 ], [ 0.29958200454711914, 0, 0.16342400014400482 ], [ 0.16342400014400482, 0.7004179954528809, 0 ], [ 0.7004179954528809, 0, 0.836575984954834 ], [ 0.836575984954834, 0.29958200454711914, 0 ], [ 0, 0.16342400014400482, 0.29958200454711914 ], [ 0, 0.836575984954834, 0.7004179954528809 ], [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ], [ 0, 0.5, 0.75 ], [ 0.5, 0.25, 0 ], [ 0.75, 0, 0.5 ], [ 0, 0.5, 0.25 ], [ 0.5, 0.75, 0 ], [ 0.25, 0, 0.5 ] ]

{ "a": 7.808594226837158, "b": 7.808594226837158, "c": 7.808594226837158, "alpha": 90, "beta": 90, "gamma": 90 }

223

Al3Ir

hard_negative

false

null

0

0.098301

-0.668227

true

[ "metallic" ]

null

mp-1206038

[ "Se", "Mo" ]

[ 42, 42, 42, 42, 42, 42, 34, 34 ]

8

2

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

{ "a": 5.019928932189941, "b": 5.019928932189941, "c": 5.019928932189941, "alpha": 90, "beta": 90, "gamma": 90 }

223

Mo3Se

hard_negative

false

null

0

0.57642

0.295194

true

[ "metallic" ]

null

mp-1206445

[ "W", "Re" ]

[ 75, 75, 74, 74, 74, 74, 74, 74 ]

8

2

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

{ "a": 5.022303104400635, "b": 5.022303104400635, "c": 5.022303104400635, "alpha": 90, "beta": 90, "gamma": 90 }

223

ReW3

hard_negative

false

null

0

0.043131

true

[ "metallic" ]

null

mp-12071

[ "Ti", "As" ]

[ 22, 22, 22, 22, 22, 22, 33, 33 ]

8

2

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

{ "a": 5.021765232086182, "b": 5.021765232086182, "c": 5.021765232086182, "alpha": 90, "beta": 90, "gamma": 90 }

223

Ti3As

hard_negative

false

null

0

0.164788

-0.561942

true

[ "metallic" ]

null

mp-1209551

[ "Ge", "Rb" ]

[ 37, 37, 37, 37, 37, 37, 37, 37, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32 ]

54

2

[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0, 0.5 ], [ 0.75, 0, 0.5 ], [ 0.5, 0.25, 0 ], [ 0.5, 0.75, 0 ], [ 0, 0.5, 0.25 ], [ 0, 0.5, 0.75 ], [ 0, 0.11999247968196869, 0.3057725727558136 ], [ 0, 0.8800075054168701, 0.6942274570465088 ], [ 0, 0.8800075054168701, 0.3057725727558136 ], [ 0, 0.11999247968196869, 0.6942274570465088 ], [ 0.3057725727558136, 0, 0.11999247968196869 ], [ 0.6199924945831299, 0.5, 0.1942274421453476 ], [ 0.6942274570465088, 0, 0.8800075054168701 ], [ 0.3800075054168701, 0.5, 0.8057725429534912 ], [ 0.3057725727558136, 0, 0.8800075054168701 ], [ 0.3800075054168701, 0.5, 0.1942274421453476 ], [ 0.6942274570465088, 0, 0.11999247968196869 ], [ 0.6199924945831299, 0.5, 0.8057725429534912 ], [ 0.11999247968196869, 0.3057725727558136, 0 ], [ 0.5, 0.8057725429534912, 0.3800075054168701 ], [ 0.8800075054168701, 0.6942274570465088, 0 ], [ 0.5, 0.1942274421453476, 0.6199924945831299 ], [ 0.11999247968196869, 0.6942274570465088, 0 ], [ 0.5, 0.1942274421453476, 0.3800075054168701 ], [ 0.8800075054168701, 0.3057725727558136, 0 ], [ 0.5, 0.8057725429534912, 0.6199924945831299 ], [ 0.1942274421453476, 0.6199924945831299, 0.5 ], [ 0.8057725429534912, 0.3800075054168701, 0.5 ], [ 0.1942274421453476, 0.3800075054168701, 0.5 ], [ 0.8057725429534912, 0.6199924945831299, 0.5 ], [ 0.25, 0.5, 0 ], [ 0.75, 0.5, 0 ], [ 0, 0.25, 0.5 ], [ 0, 0.75, 0.5 ], [ 0.5, 0, 0.25 ], [ 0.5, 0, 0.75 ], [ 0.1848486363887787, 0.1848486363887787, 0.1848486363887787 ], [ 0.8151513934135437, 0.8151513934135437, 0.8151513934135437 ], [ 0.8151513934135437, 0.8151513934135437, 0.1848486363887787 ], [ 0.8151513934135437, 0.1848486363887787, 0.8151513934135437 ], [ 0.6848486065864563, 0.6848486065864563, 0.3151513636112213 ], [ 0.1848486363887787, 0.1848486363887787, 0.8151513934135437 ], [ 0.1848486363887787, 0.8151513934135437, 0.1848486363887787 ], [ 0.3151513636112213, 0.3151513636112213, 0.6848486065864563 ], [ 0.1848486363887787, 0.8151513934135437, 0.8151513934135437 ], [ 0.3151513636112213, 0.3151513636112213, 0.3151513636112213 ], [ 0.8151513934135437, 0.1848486363887787, 0.1848486363887787 ], [ 0.6848486065864563, 0.6848486065864563, 0.6848486065864563 ], [ 0.6848486065864563, 0.3151513636112213, 0.6848486065864563 ], [ 0.3151513636112213, 0.6848486065864563, 0.3151513636112213 ], [ 0.3151513636112213, 0.6848486065864563, 0.6848486065864563 ], [ 0.6848486065864563, 0.3151513636112213, 0.3151513636112213 ] ]

{ "a": 10.954578399658203, "b": 10.954578399658203, "c": 10.954578399658203, "alpha": 90, "beta": 90, "gamma": 90 }

223

Rb4Ge23

hard_negative

false

null

0

-0.083464

true

[ "metallic" ]

null

mp-1213747

[ "Cr", "As" ]

[ 24, 24, 24, 24, 24, 24, 33, 33 ]

8

2

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

{ "a": 4.544053554534912, "b": 4.544053554534912, "c": 4.544053554534912, "alpha": 90, "beta": 90, "gamma": 90 }

223

Cr3As

hard_negative

false

null

0

0.021468

-0.071338

true

[ "metallic" ]

null

mp-1214616

[ "Ge", "Ba" ]

[ 56, 56, 56, 56, 56, 56, 56, 56, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32, 32 ]

54

2

[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0, 0.5 ], [ 0.75, 0, 0.5 ], [ 0.5, 0.25, 0 ], [ 0.5, 0.75, 0 ], [ 0, 0.5, 0.25 ], [ 0, 0.5, 0.75 ], [ 0, 0.11869067698717117, 0.30699577927589417 ], [ 0, 0.8813093304634094, 0.6930041909217834 ], [ 0, 0.8813093304634094, 0.30699577927589417 ], [ 0, 0.11869067698717117, 0.6930041909217834 ], [ 0.30699577927589417, 0, 0.11869067698717117 ], [ 0.6186906695365906, 0.5, 0.19300422072410583 ], [ 0.6930041909217834, 0, 0.8813093304634094 ], [ 0.3813093304634094, 0.5, 0.8069958090782166 ], [ 0.30699577927589417, 0, 0.8813093304634094 ], [ 0.3813093304634094, 0.5, 0.19300422072410583 ], [ 0.6930041909217834, 0, 0.11869067698717117 ], [ 0.6186906695365906, 0.5, 0.8069958090782166 ], [ 0.11869067698717117, 0.30699577927589417, 0 ], [ 0.5, 0.8069958090782166, 0.3813093304634094 ], [ 0.8813093304634094, 0.6930041909217834, 0 ], [ 0.5, 0.19300422072410583, 0.6186906695365906 ], [ 0.11869067698717117, 0.6930041909217834, 0 ], [ 0.5, 0.19300422072410583, 0.3813093304634094 ], [ 0.8813093304634094, 0.30699577927589417, 0 ], [ 0.5, 0.8069958090782166, 0.6186906695365906 ], [ 0.19300422072410583, 0.6186906695365906, 0.5 ], [ 0.8069958090782166, 0.3813093304634094, 0.5 ], [ 0.19300422072410583, 0.3813093304634094, 0.5 ], [ 0.8069958090782166, 0.6186906695365906, 0.5 ], [ 0.1845245212316513, 0.1845245212316513, 0.1845245212316513 ], [ 0.8154754638671875, 0.8154754638671875, 0.8154754638671875 ], [ 0.8154754638671875, 0.8154754638671875, 0.1845245212316513 ], [ 0.8154754638671875, 0.1845245212316513, 0.8154754638671875 ], [ 0.6845245361328125, 0.6845245361328125, 0.3154754936695099 ], [ 0.1845245212316513, 0.1845245212316513, 0.8154754638671875 ], [ 0.1845245212316513, 0.8154754638671875, 0.1845245212316513 ], [ 0.3154754936695099, 0.3154754936695099, 0.6845245361328125 ], [ 0.1845245212316513, 0.8154754638671875, 0.8154754638671875 ], [ 0.3154754936695099, 0.3154754936695099, 0.3154754936695099 ], [ 0.8154754638671875, 0.1845245212316513, 0.1845245212316513 ], [ 0.6845245361328125, 0.6845245361328125, 0.6845245361328125 ], [ 0.6845245361328125, 0.3154754936695099, 0.6845245361328125 ], [ 0.3154754936695099, 0.6845245361328125, 0.3154754936695099 ], [ 0.3154754936695099, 0.6845245361328125, 0.6845245361328125 ], [ 0.6845245361328125, 0.3154754936695099, 0.3154754936695099 ], [ 0.25, 0.5, 0 ], [ 0.75, 0.5, 0 ], [ 0, 0.25, 0.5 ], [ 0, 0.75, 0.5 ], [ 0.5, 0, 0.25 ], [ 0.5, 0, 0.75 ] ]

{ "a": 11.150016784667969, "b": 11.150016784667969, "c": 11.150016784667969, "alpha": 90, "beta": 90, "gamma": 90 }

223

Ba4Ge23

hard_negative

false

null

0

0.056386

-0.179283

true

[ "metallic" ]

null

mp-1221

[ "V", "Ge" ]

[ 23, 23, 23, 23, 23, 23, 32, 32 ]

8

2

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

{ "a": 4.740179061889648, "b": 4.740179061889648, "c": 4.740179061889648, "alpha": 90, "beta": 90, "gamma": 90 }

223

V3Ge

hard_negative

false

null

0

-0.335025

true

[ "metallic" ]

null

mp-1231

[ "Cr", "Ga" ]

[ 24, 24, 24, 24, 24, 24, 31, 31 ]

8

2

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

{ "a": 4.55620813369751, "b": 4.55620813369751, "c": 4.55620813369751, "alpha": 90, "beta": 90, "gamma": 90 }

223

Cr3Ga

hard_negative

false

null

0

0.185049

0.152238

true

[ "metallic" ]

null

mp-1232

[ "Mo", "Pt" ]

[ 42, 42, 42, 42, 42, 42, 78, 78 ]

8

2

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

{ "a": 4.991176128387451, "b": 4.991176128387451, "c": 4.991176128387451, "alpha": 90, "beta": 90, "gamma": 90 }

223

Mo3Pt

hard_negative

false

null

0

0.076286

-0.102764

true

[ "metallic" ]

null

mp-1272

[ "Cr", "Ru" ]

[ 24, 24, 24, 24, 24, 24, 44, 44 ]

8

2

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

{ "a": 4.632631778717041, "b": 4.632631778717041, "c": 4.632631778717041, "alpha": 90, "beta": 90, "gamma": 90 }

223

Cr3Ru

hard_negative

false

null

0

0.08199

true

[ "metallic" ]

null

mp-1275

[ "Si", "Mo" ]

[ 14, 14, 42, 42, 42, 42, 42, 42 ]

8

2

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

{ "a": 4.889695167541504, "b": 4.889695167541504, "c": 4.889695167541504, "alpha": 90, "beta": 90, "gamma": 90 }

223

SiMo3

hard_negative

false

null

0

-0.322261

true

[ "metallic" ]

null