colabfit/Alex-MP-20_Polymorph_Split · Datasets at Hugging Face

positions listlengths 3 180	cell listlengths 9 9	atomic_numbers listlengths 1 60	pbc listlengths 3 3	material_id stringlengths 4 18	reduced_formula stringlengths 1 18	space_group stringclasses 174 values	chemical_system stringlengths 1 19	num_sites int64 1 20	cif stringlengths 689 3.84k	energy_above_hull float64 0 0.1	dft_band_gap float64 0 9.72 ⌀	dft_bulk_modulus float64 0.54 401 ⌀	dft_mag_density float64 -0.18 0.23 ⌀	hhi_score float64 0 9.1k	ml_bulk_modulus float64 1.13 399
[ 4.19319323, 3.67218943215883, 2.120139557172199, 4.19319323, 2.6518506001162723, -1.531046657827801, 4.19319323, 6.081090374863173e-16, 3.0620933156556003, 2.0965966149999993, 4.865735119990958, -2.8092334813321975, 2.096596615, 3.0687557459075013e-16, 5.618466962664392, 2.096596615, ...	[ 4.19319323, 0, 2.5675903336629256e-16, -3.872357691602714e-16, 6.324040032275102, -3.6511862150000023, 0, 0, 7.302372429999999 ]	[ 59, 59, 59, 13, 13, 13, 78, 78, 78 ]	[ 1, 1, 1 ]	alex<agm002197424>	PrAlPt	P-62m	Al-Pr-Pt	9	# generated using pymatgen data_PrAlPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.19319323 _cell_length_b 7.30237243 _cell_length_c 7.30237243 _cell_angle_alpha 120.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	0.020798	null	null	0.000004	6,168.664033	104.776672
[ 1.605789131765463, 1.734908746794568, 5.779898740069921, 0.48247160560380525, 2.7746240200208048, 1.736614765069921, 3.0485482443836647, 1.0403209281671963, 2.886416959840052, 0.0005605794246261255, 0.0006056549409597471, 0.0020177570022607842, 3.2053101967292026, 3.463045328951283, 3.45...	[ 4.171305191120696, 0, -1.1588847717630768, -0.32196491352593354, 4.158861092904946, -1.1588847725613405, 0, 0, 8.086567949600868 ]	[ 59, 59, 13, 13, 78, 78 ]	[ 1, 1, 1 ]	alex<agm001012072>	PrAlPt	I4_1md	Al-Pr-Pt	6	# generated using pymatgen data_PrAlPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.32929566 _cell_length_b 4.32929566 _cell_length_c 8.08656795 _cell_angle_alpha 105.52651960 _cell_angle_beta 105.52651960 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	0.084984	null	null	0.000084	6,168.664033	111.320297
[ 1.4139503899999997, 2.1200504273825627, 4.6977288395176835, 4.2418511699999994, 3.7838243226174373, 3.158812600482317, 4.2418511699999994, 2.1200504273825627, 7.087083320482318, 1.4139503899999997, 3.7838243226174373, 0.7694581195176835, -3.8206634259203556e-17, 0.6239616889670475, 1.964...	[ 5.65580156, 0, 3.463179638533303e-16, -3.61508065757719e-16, 5.90387475, 3.61508065757719e-16, 0, 0, 7.85654144 ]	[ 59, 59, 59, 59, 13, 13, 13, 13, 78, 78, 78, 78 ]	[ 1, 1, 1 ]	alex<agm002329497>	PrAlPt	Pbcm	Al-Pr-Pt	12	# generated using pymatgen data_PrAlPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.65580156 _cell_length_b 5.90387475 _cell_length_c 7.85654144 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	0.047269	null	null	0.000001	6,168.664033	109.062897
[ 0, 0, 0, 2.03069619, 1.2753383101391256, 2.20895075, 2.03069619, 2.550676620278251, -6.738665458971838e-16 ]	[ 4.06139238, 0, 2.4868855891242253e-16, -2.3427584690128124e-16, 3.826014930417377, -2.2089507500000014, 0, 0, 4.4179015 ]	[ 59, 13, 78 ]	[ 1, 1, 1 ]	alex<agm001260948>	PrAlPt	P-6m2	Al-Pr-Pt	3	# generated using pymatgen data_PrAlPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.06139238 _cell_length_b 4.41790150 _cell_length_c 4.41790150 _cell_angle_alpha 120.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	0.09187	null	null	0.000149	6,168.664033	111.939003
[ 2.9092067875254326, 1.4623003840658746, 1.3386980921620988, 0.0055764709251938755, 3.374960014613443, 0.013697647541246335, 0, 0, 0, 1.7368460251941125, 1.2342554821867762, -1.54099272084306, 1.1779372332565134, 3.6030049164925413, -2.913850457704151 ]	[ 4.05613967486105, 0, -1.6513088463121195, -1.1413564164104235, 4.837260398679317, -2.8035343322350923, 0, 0, 5.807238918250556 ]	[ 59, 59, 13, 78, 78 ]	[ 1, 1, 1 ]	alex<agm002197419>	Pr2AlPt2	Immm	Al-Pr-Pt	5	# generated using pymatgen data_Pr2AlPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37939379 _cell_length_b 5.70627614 _cell_length_c 5.80723892 _cell_angle_alpha 119.42653379 _cell_angle_beta 112.15189733 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...	0.050241	null	null	0	6,368.185526	101.300957
[ 2.4825202958872317, 2.4148597894760617, 6.114746278982794, 4.974244638304211, 3.9168428116793628, 8.454582351406296, 5.786382933161372, 2.5695407924221194, 4.397734826406296, 3.2946585907443913, 1.067557770218818, 2.0578987539827946, 5.232998690896859, 0.6697585915262059, 7.2846643151945...	[ 5.636721533075848, 0, 1.1993930276945448, 2.632181695972755, 4.984400581898181, 1.199393027694545, 0, 0, 8.11369505 ]	[ 59, 59, 59, 59, 13, 13, 78, 78, 78, 78 ]	[ 1, 1, 1 ]	alex<agm002250302>	Pr2AlPt2	C2/c	Al-Pr-Pt	10	# generated using pymatgen data_Pr2AlPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.76291361 _cell_length_b 5.76291361 _cell_length_c 8.11369505 _cell_angle_alpha 77.98764083 _cell_angle_beta 77.98764083 _cell_angle_gamma 60.65557110 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	0.043868	null	null	0.000189	6,368.185526	98.60041
[ 2.2458480024816616, 1.2077079631382028, 5.571914634997368, 0, 0, 0, 2.2250741699156786e-8, 4.1913450658268205, 1.3420494482989358, 2.245848024879716, 2.42685047270539, -0.05338229961202339, -1.4731327004100928e-10, 2.9722025562596337, 6.967346382908327, 2.2458480247917487, 4.20168095...	[ 4.49169605, 0, 2.750370595187655e-16, -2.245848025267597, 5.399053028965024, -1.6011570267036976, 0, 0, 8.51512111 ]	[ 59, 59, 59, 13, 13, 13, 13, 78, 78 ]	[ 1, 1, 1 ]	alex<agm003338042>	Pr3(Al2Pt)2	C2/m	Al-Pr-Pt	9	# generated using pymatgen data_Pr3(Al2Pt)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49169605 _cell_length_b 6.06278078 _cell_length_c 8.51512111 _cell_angle_alpha 105.31325246 _cell_angle_beta 90.00000000 _cell_angle_gamma 111.74226246 _symmetry_Int_Tables_number 1 _chemical_formula_struct...	0.086648	null	null	-0	5,396.181365	82.465118
[ 1.7381669622825349, 2.583009359493026, -0.005693756514055282, 0.8757441105364527, 1.3014028028642057, 2.725111623915845, 0, 0, 0 ]	[ 3.154245665609775, 0, -1.0136509968916614, -0.5403345927907878, 3.884412162357232, -1.6813953249350226, 0, 0, 5.4144641892284735 ]	[ 12, 12, 48 ]	[ 1, 1, 1 ]	alex<agm003273285>	Mg2Cd	Immm	Cd-Mg	3	# generated using pymatgen data_Mg2Cd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.31311848 _cell_length_b 4.26704928 _cell_length_c 5.41446419 _cell_angle_alpha 113.20622036 _cell_angle_beta 107.81537086 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	0.098109	null	null	-0.000019	1,058.491128	39.976978
[ 3.470404337259554, 3.609282727044072, -0.9658621555815314, 3.59707263634367, 0.4483010157496673, 3.586587851919794, -0.45871460849531304, 4.165685359871295, 2.9051960625575983, 0.7628016522034696, 4.976681386069222, 0.058924403798884695, 0.8894699512875858, 1.815699674774816, 4.611374411...	[ 5.555084237087096, 0, -0.9993757221406608, -1.1952099485399559, 5.424982401818888, -0.9993757221406608, 0, 0, 5.6442637 ]	[ 40, 40, 40, 40, 40, 40, 81, 6 ]	[ 1, 1, 1 ]	alex<agm003767053>	Zr6TlC	R-3	C-Tl-Zr	8	# generated using pymatgen data_Zr6TlC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.64426370 _cell_length_b 5.64426370 _cell_length_c 5.64426370 _cell_angle_alpha 100.19858439 _cell_angle_beta 100.19858439 _cell_angle_gamma 100.19858439 _symmetry_Int_Tables_number 1 _chemical_formula_structural...	0.098488	null	null	0.00342	3,610.650773	100.490173
[ 2.8411593427807693, 1.803861298326896, 4.5049524632837805, 1.6604202854038628, 1.054206234299208, 1.6314983248241015, 4.021898400157675, 2.553516362354584, 7.37840660174346, 0, 0, 0 ]	[ 3.9864367422584213, 0, 1.5396836432837813, 1.6958819433031171, 3.607722596653792, 1.5396836432837813, 0, 0, 5.93053764 ]	[ 59, 13, 13, 78 ]	[ 1, 1, 1 ]	alex<agm001931797>	PrAl2Pt	R-3m	Al-Pr-Pt	4	# generated using pymatgen data_PrAl2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.27344166 _cell_length_b 4.27344166 _cell_length_c 5.93053764 _cell_angle_alpha 68.88191616 _cell_angle_beta 68.88191616 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	0.067663	null	null	0.000088	5,811.0366	94.666618
[ 0, 0, 0, 2.14301219, 0, 5.652763133045079, -1.3122165095086297e-16, 2.14301219, 5.652763133045079, 2.14301219, 2.14301219, 1.2591469820859158, 2.14301219, 2.14301219, 7.227307057914085, -1.3122165095086297e-16, 2.14301219, 2.833690906954921, 2.14301219, 0, 2.833690906954921, ...	[ 4.28602438, 0, 2.6244330190172594e-16, -2.6244330190172594e-16, 4.28602438, 2.6244330190172594e-16, 0, 0, 8.48645404 ]	[ 59, 13, 13, 13, 13, 13, 13, 78 ]	[ 1, 1, 1 ]	alex<agm002249389>	PrAl6Pt	P4/mmm	Al-Pr-Pt	8	# generated using pymatgen data_PrAl6Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.28602438 _cell_length_b 4.28602438 _cell_length_c 8.48645404 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	0	null	null	0	4,768.143213	88.50528
[ 2.5508649924556743, 5.0563575675, 1.2331636808961774, 1.5959657377417986, 1.6854525225, 5.973736810343331, 0.77234552329868, 0.35524579456376465, 2.890907225465541, 3.374485206898793, 6.386564295436235, 4.315993265773967, 3.374485206898793, 3.726150839563765, 4.315993265773967, 0.77234...	[ 4.146830730197474, 0, -1.1078827187604918, -4.1281680735889147e-16, 6.74181009, 4.1281680735889147e-16, 0, 0, 8.31478321 ]	[ 59, 59, 13, 13, 13, 13, 13, 13, 13, 13, 78, 78 ]	[ 1, 1, 1 ]	alex<agm002196266>	PrAl4Pt	Cmcm	Al-Pr-Pt	12	# generated using pymatgen data_PrAl4Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.29227320 _cell_length_b 6.74181009 _cell_length_c 8.31478321 _cell_angle_alpha 90.00000000 _cell_angle_beta 104.95800215 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	0	null	null	0.000047	5,226.202343	88.550232
[ -2.7910449701260827e-16, 4.558122345266108, 5.927792070000001, -1.5612659943257822e-16, 2.5497408647338915, 1.9759306900000002, 0, 0, 3.95186138, 0, 0, 0, 2.0649523999999997, 6.8325714742374055, 5.927792070000001, 2.0649524, 0.2752917357625939, 1.9759306900000002, 2.0649523999999...	[ 4.1299048, 0, 2.528837347051645e-16, -4.3523109644518655e-16, 7.10786321, 4.3523109644518655e-16, 0, 0, 7.90372276 ]	[ 59, 59, 13, 13, 13, 13, 13, 13, 13, 13, 78, 78 ]	[ 1, 1, 1 ]	alex<agm002251791>	PrAl4Pt	Pmma	Al-Pr-Pt	12	# generated using pymatgen data_PrAl4Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.12990480 _cell_length_b 7.10786321 _cell_length_c 7.90372276 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	0.098916	null	null	0.000633	5,226.202343	91.858459
[ 3.2201176125, 2.6312707328176352, 5.719403178194898, 1.0733725375, 1.570198702182365, 0.17051984819489857, 3.2201176124999997, 6.832740167817636, 10.927246811805102, 1.0733725374999996, 5.771668137182364, 5.378363481805102, 1.0733725375, 0.5002934181775617, 6.483317058414665, 3.2201176...	[ 4.29349015, 0, 2.629004484684095e-16, -5.145316095288188e-16, 8.40293887, 5.145316095288188e-16, 0, 0, 11.09776666 ]	[ 59, 59, 59, 59, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 78, 78, 78, 78 ]	[ 1, 1, 1 ]	alex<agm003718945>	PrAl3Pt	Pnma	Al-Pr-Pt	20	# generated using pymatgen data_PrAl3Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.29349015 _cell_length_b 8.40293887 _cell_length_c 11.09776666 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	0.000727	null	null	0.00036	5,499.696042	88.884361
[ 2.790382301705805, 3.079966791104067, 0.35940579911012077, 1.7276107360058897, 0.2035509663879312, 6.386625880531619, 0.929337877028672, 2.0294266123847837, 3.4355733647364266, -0.2289905481306428, 5.258167480252526, -0.84653154479458, 3.669586315993463, 4.719695770056711, 3.609644356936...	[ 5.0190646307013465, 0, -1.3576793071121267, -0.4201404376792112, 6.7491223824414925, -1.553173860451981, 0, 0, 9.956070889236551 ]	[ 59, 59, 59, 59, 59, 59, 59, 59, 13, 13, 78 ]	[ 1, 1, 1 ]	alex<agm003527141>	Pr8Al2Pt	C2/m	Al-Pr-Pt	11	# generated using pymatgen data_Pr8Al2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.19945217 _cell_length_b 6.93826491 _cell_length_c 9.95607089 _cell_angle_alpha 102.93562979 _cell_angle_beta 105.13651061 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...	0.049438	null	null	0.000001	3,868.128446	55.238213
[ -1.3922160831588346e-16, 3.326686650773012, 8.165476594663502, 2.8809951499999995, 1.6633433253865058, 3.7921454896635023, -1.3922160831588346e-16, 3.326686650773012, 4.954516720336498, 2.8809951499999995, 1.6633433253865058, 0.5811856153364992, 2.880995149999999, 3.374297890717076, 6.55...	[ 5.761990300000001, 0, 1.6322390086260177e-15, -2.8809951500000017, 4.9900299761595175, 3.5282014888065485e-16, 0, 0, 8.74666221 ]	[ 59, 59, 59, 59, 13, 13, 13, 13, 13, 13, 78, 78 ]	[ 1, 1, 1 ]	alex<agm002195962>	Pr2Al3Pt	P6_3/mmc	Al-Pr-Pt	12	# generated using pymatgen data_Pr2Al3Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.76199030 _cell_length_b 5.76199030 _cell_length_c 8.74666221 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...	0.040291	null	null	0.000002	4,893.548838	95.148933
[ 4.785950564199497, 4.523470049552759, 4.850215100767732, 0.5750753762756944, 3.1182996104472407, 1.589644133015793, 3.2555883465132904, 0.7025852195527592, 0.6199321749075559, 2.1054375939619008, 6.9391844404472405, 5.81992705887597, 0, 0, 0, 2.6805129702375954, 3.82088483, -0.9697...	[ 5.361025940475192, 0, -1.9394239162164737, -4.679234376970178e-16, 7.64176966, 4.679234376970178e-16, 0, 0, 8.37928315 ]	[ 59, 59, 59, 59, 13, 13, 13, 13, 13, 13, 78, 78, 78, 78, 78, 78, 78, 78 ]	[ 1, 1, 1 ]	alex<agm003334179>	Pr2Al3Pt4	Cmce	Al-Pr-Pt	18	# generated using pymatgen data_Pr2Al3Pt4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.70104940 _cell_length_b 7.64176966 _cell_length_c 8.37928315 _cell_angle_alpha 90.00000000 _cell_angle_beta 109.88827847 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...	0.016846	null	null	0	7,047.203594	132.461411
[ 2.5566618666674272, 3.054563953004198, 7.499077258362787, 0, 0, 0, 3.43782277360808, 2.363032761672535, 4.140690610227691, 1.3900638406749621, 0.02667965930899848, 3.323688620313804, 4.604420799600545, 5.390917055367735, 8.316079248276674, 1.8296526962813175, 1.8954455151774352, 1....	[ 4.232846980865502, 0, 1.1105985334762383, 1.7616376594100052, 5.417596714676733, 1.9075017851142395, 0, 0, 8.62166755 ]	[ 59, 59, 59, 13, 13, 78, 78, 78, 78 ]	[ 1, 1, 1 ]	alex<agm003338041>	Pr3(AlPt2)2	C2/m	Al-Pr-Pt	9	# generated using pymatgen data_Pr3(AlPt2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37611959 _cell_length_b 6.00768545 _cell_length_c 8.62166755 _cell_angle_alpha 71.48757724 _cell_angle_beta 75.29832938 _cell_angle_gamma 68.64102022 _symmetry_Int_Tables_number 1 _chemical_formula_structur...	0.043901	null	null	-0	6,734.537374	110.418823
[ 2.131072340801425, 1.2536789721249926, 3.182706607662804, 0, 0, 0, 2.5709407205477984e-9, 4.0217512080875695, 4.793697846070203, 2.131072341222197, 1.911896294864979, 6.698147396358451, 2.1501694133514615e-9, 3.3635338853475827, 1.2782570573745564, -1.9396351975267475e-8, 2.994672483...	[ 4.26214468, 0, 2.6098109199324596e-16, -2.1310723366276334, 5.275430180212561, -0.9155405962669931, 0, 0, 8.89194505 ]	[ 59, 59, 59, 13, 13, 78, 78, 78, 78 ]	[ 1, 1, 1 ]	alex<agm002248318>	Pr3(AlPt2)2	C2/m	Al-Pr-Pt	9	# generated using pymatgen data_Pr3(AlPt2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.26214468 _cell_length_b 5.76279858 _cell_length_c 8.89194505 _cell_angle_alpha 99.14136127 _cell_angle_beta 90.00000000 _cell_angle_gamma 111.70317010 _symmetry_Int_Tables_number 1 _chemical_formula_structu...	0.06144	null	null	0.000274	6,734.537374	109.454575
[ 0.3225239866864596, 3.0367334003298905, 0.6725492683392106, 1.6018463028062468, 2.0244889335532603, -1.9951818905238548, 2.8811686189260333, 1.0122444667766302, 0.6725492694761451, 0, 0, 0, 2.2624758581490285, 2.5306111669415756, 1.3828546669034487, 0.14029359606034172, 0.50612223338...	[ 4.160490935045821, 0, -1.9951818893869202, -0.9567983294333271, 4.048977867106521, -1.9951818916607897, 0, 0, 5.335462318863066 ]	[ 3, 3, 24, 24, 7, 7, 7, 7 ]	[ 1, 1, 1 ]	mp-1029395	LiCrN2	I-42d	Cr-Li-N	8	# generated using pymatgen data_LiCrN2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61415600 _cell_length_b 4.61415600 _cell_length_c 5.33546232 _cell_angle_alpha 115.62025382 _cell_angle_beta 115.62025382 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	0.016549	0	85.407652	0.022038	2,948.147624	98.667175
[ -1.33072151047421e-16, 2.17323315, 7.768507290281371, 2.17323315, 0, 2.54956337971863, -1.33072151047421e-16, 2.17323315, 1.2839775155728925, 0, 0, 5.159035335, 2.17323315, 0, 9.034093154427108, 2.17323315, 2.17323315, 5.159035335, 2.17323315, 0, 6.529986860490817, 2.173233...	[ 4.3464663, 0, 2.66144302094842e-16, -2.66144302094842e-16, 4.3464663, 2.66144302094842e-16, 0, 0, 10.31807067 ]	[ 59, 59, 13, 13, 13, 13, 78, 78, 78, 78 ]	[ 1, 1, 1 ]	alex<agm002328193>	Pr(AlPt)2	P4/nmm	Al-Pr-Pt	10	# generated using pymatgen data_Pr(AlPt)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34646630 _cell_length_b 4.34646630 _cell_length_c 10.31807067 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...	0	null	null	0.000205	6,907.757392	122.166313
[ 1.3088364874731468, 2.5882672527891053, 2.8634116937306686, 4.225717618832964, 2.657843375305358, 7.642976861815897, 2.012503152571004, 0, 0.6356843067598714, 2.7246867797446925, 4.475191628551817, 5.388030100725539, 2.8098673265614185, 0.7709189995426456, 5.118358454821028, 1.97346324...	[ 4.025006305142008, 0, 1.2713686135197428, 1.5095478011641035, 5.246110628094463, 2.2279829120268233, 0, 0, 7.00703703 ]	[ 59, 59, 13, 13, 13, 78, 78 ]	[ 1, 1, 1 ]	alex<agm003309461>	Pr2Al3Pt2	C2/m	Al-Pr-Pt	7	# generated using pymatgen data_Pr2Al3Pt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.22102522 _cell_length_b 5.89612747 _cell_length_c 7.00703703 _cell_angle_alpha 67.79805338 _cell_angle_beta 72.47036738 _cell_angle_gamma 69.02571292 _symmetry_Int_Tables_number 1 _chemical_formula_structural...	0.046472	null	null	0.000454	5,983.44244	91.657219
[ 3.903140131289272, 2.402617642063404, 6.391332779061051, 5.036171595083262, 3.1000666939438863, 2.7933584246919274, 2.7701086674952817, 1.7051685901829217, 9.989307133430174, 5.985515985151432, 2.0693653010051114, 9.171621501907671, 7.167298987129638, 4.411903855148724, 9.997863826468208...	[ 5.382095879682434, 0, 1.6948659240610506, 2.42418438289611, 4.805235284126808, 1.6948659240610506, 0, 0, 9.39293371 ]	[ 59, 59, 59, 13, 13, 13, 13, 13, 13, 13, 78, 78 ]	[ 1, 1, 1 ]	alex<agm002329144>	Pr3Al7Pt2	R-3m	Al-Pr-Pt	12	# generated using pymatgen data_Pr3Al7Pt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.64265244 _cell_length_b 5.64265244 _cell_length_c 9.39293371 _cell_angle_alpha 72.52035972 _cell_angle_beta 72.52035972 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...	0.036229	null	null	0.000286	5,040.959954	89.768814
[ 0, 0, 0, 2.095478105, 2.393108380185417, 1.3816617674999994, 2.095478105, 2.0928659607494473e-16, 2.763323535, 2.095478105, 2.3931083801854176, -1.381661767500001, 4.19095621, 1.5954055867902783, 2.763323535, 4.19095621, 3.1908111735805567, -8.316811287804408e-16 ]	[ 4.19095621, 0, 2.5662205539716114e-16, -2.9307125178067784e-16, 4.786216760370834, -2.763323535000002, 0, 0, 5.52664707 ]	[ 59, 13, 13, 13, 78, 78 ]	[ 1, 1, 1 ]	alex<agm002195965>	PrAl3Pt2	P6/mmm	Al-Pr-Pt	6	# generated using pymatgen data_PrAl3Pt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.19095621 _cell_length_b 5.52664707 _cell_length_c 5.52664707 _cell_angle_alpha 120.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...	0.028514	null	null	0.000122	6,647.307872	126.062988
[ 0, 0, 0, 2.4947490618441344, 0, 4.498516408992805, 5.539455698242733e-16, 0, 3.4160549309236234, 3.7421235916963207, 3.1337768514467452, 8.455802078501984, 1.2473745298521857, 3.1337768514467452, 7.373340600432803, 0.8378898868935037, 2.105029298553455, 4.901024963358665, 1.65685...	[ 4.989498123688269, 0, 2.1649229561383634, 2.4947490597043713, 6.2675537028934905, 1.0824614771711112, 0, 0, 6.832109861847247 ]	[ 59, 13, 13, 13, 13, 78, 78, 78, 78, 78, 78, 78, 78 ]	[ 1, 1, 1 ]	alex<agm003671801>	Pr(AlPt2)4	I4/mmm	Al-Pr-Pt	13	# generated using pymatgen data_Pr(AlPt2)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.43893215 _cell_length_b 6.83210986 _cell_length_c 6.83210986 _cell_angle_alpha 80.88379314 _cell_angle_beta 66.54417411 _cell_angle_gamma 66.54417411 _symmetry_Int_Tables_number 1 _chemical_formula_structura...	0.062634	null	null	-0.000016	8,149.658892	179.495605
[ 2.6305785, 2.6305785, 3.2215295399308456e-16, -1.6107647699654228e-16, 2.6305785, 2.6305785, 2.6305785, 0, 2.6305785, 0, 0, 0, 2.6305785, 2.6305785, 2.6305785000000004 ]	[ 5.261157, 0, 3.2215295399308456e-16, -3.2215295399308456e-16, 5.261157, 3.2215295399308456e-16, 0, 0, 5.261157 ]	[ 38, 38, 38, 83, 7 ]	[ 1, 1, 1 ]	mp-570008	Sr3BiN	Pm-3m	Bi-N-Sr	5	# generated using pymatgen data_Sr3BiN _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.26115700 _cell_length_b 5.26115700 _cell_length_c 5.26115700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	0	0.2569	null	-0	4,218.334842	43.554169
[ 4.8163211475, 1.9647429068895554, 3.6932088270086055e-8, 1.6054403825, 0.9823714214606513, 1.7015172138735044, 1.6054403825, 0.9823714214606507, 5.684900492262316, 1.6054403824999999, 4.432082533555501, 3.6932088530679095, 4.8163211475, 5.414454018984406, -1.991691602262319, 4.81632114...	[ 6.42176153, 0, 3.932194851301055e-16, -3.9169259001726983e-16, 6.396825440445057, -3.6932088900000024, 0, 0, 7.3864177799999995 ]	[ 38, 38, 38, 38, 38, 38, 83, 83, 7, 7 ]	[ 1, 1, 1 ]	alex<agm002164903>	Sr3BiN	P6_3/mmc	Bi-N-Sr	10	# generated using pymatgen data_Sr3BiN _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.42176153 _cell_length_b 7.38641778 _cell_length_c 7.38641778 _cell_angle_alpha 120.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	0.007496	null	null	0.000012	4,218.334842	35.74752
[ 3.833107979610136, 4.160916137319991, 4.004699849359997, 0.7278410323203256, 0.7900861423406367, 2.543660949942961, 2.483840497831011, 3.019113837377559e-20, -0.7107240583513835, -0.20336599186578042, 2.4755011398303135, -0.7107240574485526, 2.9185729331747896, 3.168169925525686, 0.80858...	[ 4.967680995662022, 0, -1.4214481167027673, -0.4067319837315609, 4.951002279660627, -1.4214481148971054, 0, 0, 9.39125703090283 ]	[ 38, 38, 38, 38, 83, 83, 7 ]	[ 1, 1, 1 ]	alex<agm001074297>	Sr4Bi2N	I4/mmm	Bi-N-Sr	7	# generated using pymatgen data_Sr4Bi2N _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.16704647 _cell_length_b 5.16704647 _cell_length_c 9.39125703 _cell_angle_alpha 105.96790014 _cell_angle_beta 105.96790014 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...	0.042918	null	null	-0.000002	4,557.760297	34.158695
[ 3.1586813694159717, 3.4466463864837302, 0.7740922592334946, 1.7635676427756413, 1.924345425324165, 5.978149386760165, 0, 0, 0, 4.153571109649704, 4.532236515058316, 4.146573995341169, 0.7686779025419094, 0.8387552967495776, 2.6056676506524905, 2.695723450756044, 8.969788776293254e-18...	[ 5.391446901512088, 0, -1.5904890793670519, -0.46919788932047396, 5.370991811807895, -1.5904890762152089, 0, 0, 9.93321980157592 ]	[ 55, 55, 32, 35, 35, 35, 35 ]	[ 1, 1, 1 ]	alex<agm001074679>	Cs2GeBr4	I4/mmm	Br-Cs-Ge	7	# generated using pymatgen data_Cs2GeBr4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.62115248 _cell_length_b 5.62115248 _cell_length_c 9.93321980 _cell_angle_alpha 106.43617889 _cell_angle_beta 106.43617889 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...	0.016701	null	null	0.000027	5,984.546252	12.305463
[ 1.8864921849999998, 4.753508574116338, 8.173228504748458, 5.659476555, 2.9490878583221494, -0.22884838224126344, 5.659476555, 5.885520350705802, 3.9990992431734975, 1.8864921849999998, 1.8170760817326845, 3.9452808793336964, 1.886492185, 0.3086773156019345, 8.694906435127585, 5.6594765...	[ 7.54596874, 0, 4.620573231953493e-16, -4.716480033054808e-16, 7.702596432438487, -2.6518411374928057, 0, 0, 10.59622126 ]	[ 55, 55, 55, 55, 32, 32, 35, 35, 35, 35, 35, 35, 35, 35 ]	[ 1, 1, 1 ]	alex<agm003440199>	Cs2GeBr4	P2_1/m	Br-Cs-Ge	14	# generated using pymatgen data_Cs2GeBr4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.54596874 _cell_length_b 8.14630304 _cell_length_c 10.59622126 _cell_angle_alpha 108.99750281 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...	0.035037	null	null	0	5,984.546252	10.853109
[ 2.395128242179218, 3.23014237596955, 1.8861646236393685, 4.900565002179218, 1.610911802645051, 0.9406535379234513, 2.4468483239770444, 0.004434163574902044, 1.8594446692019992, 2.4468483239770444, 1.6215719975885277, -0.9099771405189767, 4.952285083977045, 4.836620015039699, 0.9673734923...	[ 5.01087352, 0, 3.0682751086001153e-16, -2.964290752169645e-16, 4.841054178614601, -2.7318532284371804, 0, 0, 5.55867139 ]	[ 3, 3, 24, 24, 24, 24, 7, 7, 7, 7, 7, 7 ]	[ 1, 1, 1 ]	mp-1872311	LiCr2N3	Cmc2_1	Cr-Li-N	12	# generated using pymatgen data_LiCr2N3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01087352 _cell_length_b 5.55867139 _cell_length_c 5.55867139 _cell_angle_alpha 119.43645331 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	0.02614	null	null	null	3,115.527877	123.037193
[ 4.110973737984592, 5.557116065147343, 0.5457236774009881, 2.02964919285053, 1.9708336450635908, 3.4633709107054806, 3.5765916873573813, 4.7034716832720567e-17, -0.9813363715794325, -0.7508287271665985, 5.582087403528568, -2.736480438293645, -0.26173171671304235, 1.9458623066823646, -0.95...	[ 7.153183374714763, 0, -1.9626727431588653, -1.012560443879641, 7.527949710210932, -3.6903913595886615, 0, 0, 9.662158690853996 ]	[ 55, 55, 32, 32, 32, 35, 35, 35, 35, 35, 35, 35, 35 ]	[ 1, 1, 1 ]	alex<agm003353596>	Cs2Ge3Br8	C2/m	Br-Cs-Ge	13	# generated using pymatgen data_Cs2Ge3Br8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.41755463 _cell_length_b 8.44477909 _cell_length_c 9.66215869 _cell_angle_alpha 115.91279813 _cell_angle_beta 105.34308828 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...	0.054533	null	null	0.000043	5,716.675236	7.244922
[ 2.7908735, 2.7850755932948346, -0.5445162179731105, 2.7908734999999996, 3.8014556772652006, 4.654034700445328, 2.7908735, 1.7686955093244687, 9.046472103608451, -3.0681064869490036e-16, 5.010598139945556, 10.838521279969347, -3.426274237629312e-17, 0.5595530466441128, 2.8619855240844303,...	[ 5.581747, 0, 3.4178342986001705e-16, -3.410733910711935e-16, 5.570151186589669, -1.0890324359462213, 0, 0, 14.78953924 ]	[ 55, 55, 55, 32, 32, 35, 35, 35, 35, 35, 35, 35 ]	[ 1, 1, 1 ]	alex<agm003350065>	Cs3Ge2Br7	Cmmm	Br-Cs-Ge	12	# generated using pymatgen data_Cs3Ge2Br7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.58174700 _cell_length_b 5.67561238 _cell_length_c 14.78953924 _cell_angle_alpha 101.06247738 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...	0.039215	null	null	0.000081	5,916.38651	12.714494
[ 4.153884690398136, 1.1191358628027896, 3.127304262245976, 8.564169865398135, 3.27761376100446, 0.5382797244438958, 3.5190762690276536, 6.377520528762568, 3.577607847231476, 7.929361444027655, 4.666546688015328, 5.629865718819001, 8.564169865398135, 9.924931353975104, 6.080169303804501, ...	[ 8.82057035, 0, 5.401041622890775e-16, -6.762540783297634e-16, 11.044067216777895, -2.019764213949523, 0, 0, 11.22723778 ]	[ 55, 55, 55, 55, 55, 55, 32, 32, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35 ]	[ 1, 1, 1 ]	alex<agm003573243>	Cs3GeBr6	Cmc2_1	Br-Cs-Ge	20	# generated using pymatgen data_Cs3GeBr6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.82057035 _cell_length_b 11.22723778 _cell_length_c 11.22723778 _cell_angle_alpha 100.36385285 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...	0.099755	null	null	0.001849	6,140.576737	10.660777
[ 2.6179398802574685, 6.492600042779672, 1.906562557820765, 3.0481761514768198, 2.495031495641832, 6.093101451999006, -0.3695181616861404, 7.037617029622151, 6.7579299549309955, 6.035634193420429, 1.9500145087993521, 1.241734054888775, 0.9718367322911102, 8.083434822056486, 4.9227925455027...	[ 6.633405281333884, 0, -0.6816923539624795, -0.9672892495995957, 8.987631538421503, -0.36556619621775027, 0, 0, 9.04692256 ]	[ 55, 55, 32, 32, 35, 35, 35, 35, 35, 35, 35 ]	[ 1, 1, 1 ]	alex<agm003317516>	Cs2Ge2Br7	C2/m	Br-Cs-Ge	11	# generated using pymatgen data_Cs2Ge2Br7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.66834088 _cell_length_b 9.04692256 _cell_length_c 9.04692256 _cell_angle_alpha 92.31582664 _cell_angle_beta 95.86749351 _cell_angle_gamma 95.86749351 _symmetry_Int_Tables_number 1 _chemical_formula_structural...	0.094143	null	null	0.001767	5,904.935075	5.132896
[ 5.842916347356283, 5.58833601832894, 4.051788381652335, 0.6218148048563255, 2.875456558294356, -2.2499465427670273, 1.0422320303988273, 7.107352846606004, 5.494128492479684, 5.422499121813782, 1.3564397300172921, -3.692286653594378, 1.6161827880531523, 2.115948144155824, 3.15086746218004...	[ 8.772873224174377, 0, -4.4998930853096555, -2.308142071961768, 8.463792576623296, -4.499893085639911, 0, 0, 10.801628009834873 ]	[ 55, 55, 55, 55, 55, 55, 32, 32, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35 ]	[ 1, 1, 1 ]	alex<agm003565904>	Cs3GeBr5	I4/mcm	Br-Cs-Ge	18	# generated using pymatgen data_Cs3GeBr5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.85963196 _cell_length_b 9.85963196 _cell_length_c 10.80162801 _cell_angle_alpha 117.15476848 _cell_angle_beta 117.15476848 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...	0.057142	null	null	-0	6,070.898698	7.59083
[ 2.42469857831709, 1.5410116988919704, 3.8034048218128644, 0.2882214066248435, 4.734878432989204, -0.46650094960362837, -0.11262422318758283, 0.1683644293785973, 0.1822880114188558, 0.5120812815287134, 4.852403977609131, 3.3733488389537856, 3.665134357829442, 4.852403913731796, -2.4064815...	[ 6.9110588288917585, 0, -3.4579965485400312, -4.272954343384492, 6.387733468194468, -0.8119092228329876, 0, 0, 7.72790232 ]	[ 55, 55, 32, 35, 35, 35, 35, 35 ]	[ 1, 1, 1 ]	alex<agm003468143>	Cs2GeBr5	I4mm	Br-Cs-Ge	8	# generated using pymatgen data_Cs2GeBr5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.72790232 _cell_length_b 7.72790232 _cell_length_c 7.72790232 _cell_angle_alpha 96.03074126 _cell_angle_beta 116.58141176 _cell_angle_gamma 116.58141176 _symmetry_Int_Tables_number 1 _chemical_formula_structura...	0.057683	null	null	0.002336	6,083.667255	10.050407
[ 0, 0, 0, 3.1746152204200793, 2.422006362884552, 4.7868077065918815, 0.17899777750512352, 4.608854748376855, 0.8107534319720329, 3.696161802981072, 3.515430555630703, 7.149103414293725, 2.0122105471983676, 6.3486984912593245, -0.47819375553501653, 1.3414024507268358, 0.682162620002082...	[ 4.03871060803694, 0, -0.8916647096185442, -0.6850976101117365, 7.030861111261406, -3.1030845514596166, 0, 0, 9.592310399642077 ]	[ 55, 32, 32, 35, 35, 35, 35, 35 ]	[ 1, 1, 1 ]	alex<agm003474966>	CsGe2Br5	Immm	Br-Cs-Ge	8	# generated using pymatgen data_CsGe2Br5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.13597018 _cell_length_b 7.71566591 _cell_length_c 9.59231040 _cell_angle_alpha 113.71451580 _cell_angle_beta 102.45001448 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...	0.099316	null	null	0.000013	5,651.648073	9.934911
[ 3.0518412120650003, 0.24277549164999998, 2.21044175, 6.156555712065, 2.9142530083500002, 6.6313252500000015, 0.05287328793499979, 3.39980399165, 2.21044175, 3.157587787935, 6.07128150835, 6.6313252500000015, 0, 0, 0, 3.1047145, 3.1570285, 3.8342117610166724e-16, 3.1047145, 3.15...	[ 6.209429, 0, 3.8021786746913753e-16, -3.8662448473419696e-16, 6.314057, 3.8662448473419696e-16, 0, 0, 8.841767 ]	[ 19, 19, 19, 19, 20, 20, 20, 20, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9 ]	[ 1, 1, 1 ]	mp-5926	KCaF3	Pnma	Ca-F-K	20	# generated using pymatgen data_KCaF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.20942900 _cell_length_b 6.31405700 _cell_length_c 8.84176700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K...	0	6.6502	null	-0.000001	3,136.614815	37.582939
[ 6.242372662366943, 2.9465314955828976, 6.65557425, 0.025306337136931457, 3.3259675051342814, 2.21852475, 3.1377399503850456, 6.118622055231585, 6.65557425, 3.1299390491188293, 0.15387694548559386, 2.21852475, 0, 0, 4.4370495, 0, 0, 0, 3.133839499751937, 3.1362495003585895, 4....	[ 6.224743, 0, 3.8115557952324464e-16, 0.042935999503874535, 6.272499000717179, 3.8408878924260544e-16, 0, 0, 8.874099 ]	[ 19, 19, 19, 19, 20, 20, 20, 20, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9 ]	[ 1, 1, 1 ]	mp-643749	KCaF3	P2_1/m	Ca-F-K	20	# generated using pymatgen data_KCaF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.22474300 _cell_length_b 6.27264595 _cell_length_c 8.87409900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 89.60780972 _symmetry_Int_Tables_number 1 _chemical_formula_structural K...	0.002027	6.8058	null	-0.000001	3,136.614815	37.107529
[ 2.255052275, 3.10257683, 3.2806016672284744e-16, 2.255052275, 0, 3.10257683, -1.8997803919841207e-16, 3.10257683, 3.10257683, 0, 0, 0, 2.255052275, 3.10257683, 3.1025768300000003, 2.255052275, 0, 1.3808212752443536e-16, -3.090174312580823e-16, 5.0466376341853385, 4.2610928558...	[ 4.51010455, 0, 2.7616425504887073e-16, -3.7995607839682414e-16, 6.20515366, 3.7995607839682414e-16, 0, 0, 6.20515366 ]	[ 19, 19, 20, 20, 9, 9, 9, 9, 9, 9 ]	[ 1, 1, 1 ]	alex<agm003710553>	KCaF3	P4/mbm	Ca-F-K	10	# generated using pymatgen data_KCaF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51010455 _cell_length_b 6.20515366 _cell_length_c 6.20515366 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K...	0.007545	null	null	0.000065	3,136.614815	39.14053
[ 2.9896031902598117, 2.1139686888896496, 5.178144619999999, 0, 0, 0, 4.484404785389717, 3.1709530333344746, 7.767216929999998, 1.4948015951299058, 1.0569843444448248, 2.5890723099999997 ]	[ 4.484404785389718, 0, 2.5890723099999993, 1.4948015951299052, 4.227937377779299, 2.5890723099999993, 0, 0, 5.178144619999999 ]	[ 58, 12, 12, 48 ]	[ 1, 1, 1 ]	alex<agm003618736>	CeMg2Cd	F-43m	Cd-Ce-Mg	4	# generated using pymatgen data_CeMg2Cd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.17814462 _cell_length_b 5.17814462 _cell_length_c 5.17814462 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	0.050507	null	null	-0	2,008.384556	43.608383
[ 1.8587391281607333, 1.3182783794643702, 3.193939544577822, 5.4778912463720415, 3.885099036084278, 9.412861228136473, 0.04169588963870047, 0.0295720841028513, 0.07164757482411122, 3.6608480078500087, 2.5963927407227603, 6.290569258382761, 5.734830233337638, 3.5054297607804568, 6.264694620...	[ 5.439624999165237, 0, 3.090736433558651, 1.7986792372573799, 5.133641313239815, 3.090736433558651, 0, 0, 6.2563705 ]	[ 19, 19, 20, 20, 9, 9, 9, 9, 9, 9 ]	[ 1, 1, 1 ]	alex<agm002147678>	KCaF3	R-3c	Ca-F-K	10	# generated using pymatgen data_KCaF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.25637050 _cell_length_b 6.25637050 _cell_length_c 6.25637050 _cell_angle_alpha 60.39522748 _cell_angle_beta 60.39522748 _cell_angle_gamma 60.39522748 _symmetry_Int_Tables_number 1 _chemical_formula_structural K...	0.005282	null	null	0.000009	3,136.614815	37.771423
[ 4.073449306619297, 1.2152677717263038, 0.25499104255995086, 1.984588792362311, 2.7086154103617317, 3.2029682757798295, -0.0688490414886853, 4.250308791144466, 0.2549910425599516, 0.23396492784167447, 0.31932106614478784, 0.008744866015469302, 3.531303837136312, 4.819610001199045, -4.1221...	[ 5.7941726867385785, 0, -2.989087398965352, -1.7461901932249817, 5.52478569112253, -2.9890873989653515, 0, 0, 6.65060369 ]	[ 19, 19, 19, 20, 9, 9, 9, 9, 9, 9, 9 ]	[ 1, 1, 1 ]	alex<agm002210866>	K3CaF7	Cm	Ca-F-K	11	# generated using pymatgen data_K3CaF7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.51974544 _cell_length_b 6.51974544 _cell_length_c 6.65060369 _cell_angle_alpha 117.28822272 _cell_angle_beta 117.28822272 _cell_angle_gamma 91.59489846 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	0.053752	null	null	0.009394	3,802.579433	35.756054
[ 1.3224685247235959, 1.3737249156827867, 6.78344522796021, 2.9010558771730968, 3.0134953428049323, 3.192657923305044, 2.111762200948346, 2.1936101292438597, -0.8559302444662854, 0.4243687085038908, 0.44081644092797145, 2.1767488879918844, 3.7991556933928012, 3.9464038175597476, 7.79935426...	[ 4.390392530059744, 0, -0.8559302446641094, -0.16686812816305174, 4.387220258487719, -0.8559302442684614, 0, 0, 11.687963640197824 ]	[ 19, 19, 19, 20, 20, 9, 9, 9, 9, 9, 9, 9 ]	[ 1, 1, 1 ]	alex<agm003351811>	K3Ca2F7	I4/mmm	Ca-F-K	12	# generated using pymatgen data_K3Ca2F7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47304853 _cell_length_b 4.47304853 _cell_length_c 11.68796364 _cell_angle_alpha 101.03174107 _cell_angle_beta 101.03174107 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...	0.025592	null	null	-0.000056	3,523.306778	33.741131
[ 2.9183156487138096, 4.381680038355198, -0.5850938700393049, 1.6572146728899597, 1.7233526933286913, 2.4565207030223966, 2.8625998391359544, 2.574866429626933e-18, -0.9383278705642688, 4.873488070863303, 4.5228023266219655, 2.780420194319288, 5.427241929012376, 1.5822304050619238, 4.46978...	[ 5.725199678271909, 0, -1.8766557411285376, -1.1496693566681395, 6.105032731683889, -3.5073489967623614, 0, 0, 7.2554315708739905 ]	[ 19, 19, 20, 20, 20, 9, 9, 9, 9, 9, 9, 9, 9 ]	[ 1, 1, 1 ]	alex<agm003354149>	K2Ca3F8	C2/m	Ca-F-K	13	# generated using pymatgen data_K2Ca3F8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.02492723 _cell_length_b 7.13404943 _cell_length_c 7.25543157 _cell_angle_alpha 119.44810771 _cell_angle_beta 108.14855898 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...	0.039985	null	null	-0	2,771.969025	38.137135
[ 3.3390225587042295, 1.129785717741272, 1.2844431903456628, 1.1853249757812558, 2.2595714354825436, -1.5722074148248233, 0, 0, 0, -0.9683726071417187, 3.3893571532238163, 1.284443190004691, 1.9902406932735623, 0.39984020379437835, 3.0734587709475254, 4.912396311245282, 0.7349572433907...	[ 5.492720141627204, 0, -1.5722074144838516, -3.1220701900646928, 4.519142870965088, -1.5722074151657952, 0, 0, 5.713301210000001 ]	[ 69, 69, 15, 15, 8, 8, 8, 8, 8, 8, 8, 8 ]	[ 1, 1, 1 ]	mp-5884	TmPO4	I4_1/amd	O-P-Tm	12	# generated using pymatgen data_TmPO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.71330121 _cell_length_b 5.71330121 _cell_length_c 5.71330121 _cell_angle_alpha 105.97296229 _cell_angle_beta 105.97296229 _cell_angle_gamma 116.72011330 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	0	5.9394	null	0	2,704.228758	124.154831
[ 3.174463690828268, 1.1027703185443356, 1.4890334515261594, 0, 0, 0, 0.5902547894752779, 3.308310955633007, 1.4890334503430493, 1.8823592401517728, 2.205540637088671, 4.748620300343049, -0.09169588167615621, 1.9048294190141464, 1.4438349479995316, 0.713556325325902, 4.057229142441424,...	[ 4.466568141504763, 0, -1.7705533972907321, -0.7018496612012175, 4.411081274177342, -1.7705533996569507, 0, 0, 6.519173698816891 ]	[ 69, 69, 15, 15, 8, 8, 8, 8, 8, 8, 8, 8 ]	[ 1, 1, 1 ]	alex<agm002301447>	TmPO4	I4_1/a	O-P-Tm	12	# generated using pymatgen data_TmPO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80469461 _cell_length_b 4.80469461 _cell_length_c 6.51917370 _cell_angle_alpha 111.62343873 _cell_angle_beta 111.62343873 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	0.094916	null	null	0.000021	2,704.228758	123.63356
[ 3.5315287499999997, 3.7780615976220004, 1.6467293280320006, 3.53152875, 0.07551709762200001, 2.3632676719680004, 1.1771762499999996, 7.329571902378, 5.656726328032001, 1.1771762499999998, 3.6270274023780003, 6.373264671968001, 3.53152875, 1.42059227376, 7.319760303866, 3.53152874999999...	[ 4.708705, 0, 2.883250253189569e-16, -4.534309270625638e-16, 7.405089, 4.534309270625638e-16, 0, 0, 8.019994 ]	[ 62, 62, 62, 62, 50, 50, 50, 50, 46, 46, 46, 46 ]	[ 1, 1, 1 ]	mp-571581	SmSnPd	Pnma	Pd-Sm-Sn	12	# generated using pymatgen data_SmSnPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70870500 _cell_length_b 7.40508900 _cell_length_c 8.01999400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	0	0	null	-0	4,014.519694	69.471497
[ 0, 0, 3.62146723, 0, 0, 0, 2.3668565050000008, 1.3665052402949665, 5.4322008450000006, 4.909512422527722e-16, 2.733010480589934, 1.8107336150000006, 2.3668565050000008, 1.3665052402949665, 1.8107336150000009, 4.909512422527722e-16, 2.733010480589934, 5.4322008450000006 ]	[ 4.733713010000001, 0, 1.3409517594228651e-15, -2.3668565049999994, 4.0995157208849005, 2.898563242889341e-16, 0, 0, 7.24293446 ]	[ 62, 62, 50, 50, 46, 46 ]	[ 1, 1, 1 ]	alex<agm002379307>	SmSnPd	P6_3/mmc	Pd-Sm-Sn	6	# generated using pymatgen data_SmSnPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73371301 _cell_length_b 4.73371301 _cell_length_c 7.24293446 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	0.081617	null	null	-0.000001	4,014.519694	61.781269
[ 1.9343812299691257e-33, 4.4246659350489987e-16, 4.507759872951891, -1.6617624119854167e-16, 2.713863969827709, 1.5668500935240532, -2.3904092516852536e-16, 3.903834564136452, -2.2538799364759474, 2.0442234999999997, 4.935868488773312, 2.849725000677861, 2.0442234999999997, 3.57722440375131...	[ 4.088447, 0, 2.5034517660167996e-16, -4.052171663670671e-16, 6.617698533964161, -3.8207300300000027, 0, 0, 7.64146006 ]	[ 62, 62, 62, 50, 50, 50, 46, 46, 46 ]	[ 1, 1, 1 ]	alex<agm002179888>	SmSnPd	P-62m	Pd-Sm-Sn	9	# generated using pymatgen data_SmSnPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.08844700 _cell_length_b 7.64146006 _cell_length_c 7.64146006 _cell_angle_alpha 120.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	0.013329	null	null	-0.000047	4,014.519694	83.083145
[ -1.893467624686456, 5.822671186821921, -3.4376943575046797, -0.2696543975288915, 3.126906975352875, 2.5132900837064533, 1.1361843380097003, 5.0920819768443835, -2.123120056449856, 4.433550697489633, 2.6670469403124915, -4.492186275881784, 6.03302028546689, 0.05342818057247124, 0.23966569...	[ 6.105326404611133, 0, -3.3603507115535307, -1.928074313179459, 5.83924114302106, -3.4313955639413947, 0, 0, 7.19063888 ]	[ 62, 50, 50, 50, 50, 50, 50, 46, 46, 46, 46 ]	[ 1, 1, 1 ]	alex<agm002307128>	Sm(Sn3Pd2)2	Fmm2	Pd-Sm-Sn	11	# generated using pymatgen data_Sm(Sn3Pd2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.96900046 _cell_length_b 7.04192326 _cell_length_c 7.19063888 _cell_angle_alpha 119.16202717 _cell_angle_beta 118.82823557 _cell_angle_gamma 90.28117329 _symmetry_Int_Tables_number 1 _chemical_formula_struct...	0.090181	null	null	-0	3,889.755492	67.270271
[ 3.9530461927089977, 1.7761539475, 5.856011649935141, 0.5496581294174684, 5.3284618425, 2.0833863809956377, 3.4756490832265703, 5.3284618425, 4.046518470462915, 1.027055238899896, 1.7761539475, 3.892879560467864, 2.251352161063233, 3.552307895, -0.5939724045346111, 2.251352161063233, ...	[ 4.502704322126466, 0, -1.1879448090692226, -4.350322493197622e-16, 7.10461579, 4.350322493197622e-16, 0, 0, 9.12734284 ]	[ 58, 58, 12, 12, 48, 48, 48, 48, 48, 48, 48, 48 ]	[ 1, 1, 1 ]	alex<agm003748293>	CeMgCd4	Cmcm	Cd-Ce-Mg	12	# generated using pymatgen data_CeMgCd4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65677561 _cell_length_b 7.10461579 _cell_length_c 9.12734284 _cell_angle_alpha 90.00000000 _cell_angle_beta 104.77952789 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	0.09143	null	null	0.001298	1,679.055637	45.928493
[ 0.4491732840458831, 3.4262600625, 7.134069474283367, 3.7805589448512653, 1.1420866875, 2.11412239506948, 3.1591974492018857, 3.4262600625, 9.40716413810677, 1.070534779695263, 1.1420866875, -0.15897226875392353, 1.9403639855319375, 3.4262600625, 3.832231001467739, 2.289368243365211, ...	[ 4.229732228897149, 0, -0.916115270647154, -2.7973056123913567e-16, 4.56834675, 2.7973056123913567e-16, 0, 0, 10.16430714 ]	[ 62, 62, 50, 50, 50, 50, 46, 46 ]	[ 1, 1, 1 ]	alex<agm002179867>	SmSn2Pd	Cmcm	Pd-Sm-Sn	8	# generated using pymatgen data_SmSn2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.32780567 _cell_length_b 4.56834675 _cell_length_c 10.16430714 _cell_angle_alpha 90.00000000 _cell_angle_beta 102.22089542 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...	0.047878	null	null	-0	3,434.536625	61.938622
[ -1.3782474320049685e-16, 2.25084887, 2.2321111271601493, 2.25084887, 0, 7.341035402839852, 2.25084887, 0, 1.6246811945006459, -1.3782474320049685e-16, 2.25084887, 7.948465335499356, 0, 0, 4.786573265, 2.25084887, 2.25084887, 4.786573265, 2.25084887, 2.25084887, 2.756494864009...	[ 4.50169774, 0, 2.756494864009937e-16, -2.756494864009937e-16, 4.50169774, 2.756494864009937e-16, 0, 0, 9.57314653 ]	[ 62, 62, 50, 50, 50, 50, 46, 46 ]	[ 1, 1, 1 ]	alex<agm003628453>	SmSn2Pd	P4/nmm	Pd-Sm-Sn	8	# generated using pymatgen data_SmSn2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50169774 _cell_length_b 4.50169774 _cell_length_c 9.57314653 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	0.0453	null	null	0	3,434.536625	54.555336
[ 4.274269072529342, 3.465109301816518, 7.225416187663441, 1.255848250042803, 1.4536411141050332, 2.798396908491104, 0, 0, 0, 3.072941337263449, 3.561642582416716, 4.301158516568444, 2.4571759853086963, 1.3571078335048357, 5.722654579586103 ]	[ 4.156223768600051, 0, 1.8003979456979526, 1.373893553972094, 4.918750415921552, 2.5258889904565938, 0, 0, 5.69752616 ]	[ 62, 62, 50, 46, 46 ]	[ 1, 1, 1 ]	alex<agm002234204>	Sm2SnPd2	Immm	Pd-Sm-Sn	5	# generated using pymatgen data_Sm2SnPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52941815 _cell_length_b 5.69752616 _cell_length_c 5.69752616 _cell_angle_alpha 63.68340501 _cell_angle_beta 66.57864680 _cell_angle_gamma 66.57864680 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	0.044857	null	null	0	4,467.85076	69.623848
[ 0.8918203492216202, 3.4251928936135405, 6.149250192065242, 3.7083250584215484, 1.487365682284149, 5.038835320492942, 1.9246844144347242, 1.487365682284149, 0.849255785492942, -0.891820294765204, 3.4251928936135405, 1.9596706570652418, 1.071818071815985, 0, 6.2843693025, 4.5611914581840...	[ 5.63300953, 0, 3.4492235452405183e-16, -2.8165047663436553, 4.912558575897689, -1.3806530924418163, 0, 0, 8.37915907 ]	[ 62, 62, 62, 62, 50, 50, 46, 46, 46, 46 ]	[ 1, 1, 1 ]	alex<agm002307075>	Sm2SnPd2	C2/c	Pd-Sm-Sn	10	# generated using pymatgen data_Sm2SnPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.63300953 _cell_length_b 5.82856190 _cell_length_c 8.37915907 _cell_angle_alpha 103.70229982 _cell_angle_beta 90.00000000 _cell_angle_gamma 118.89622145 _symmetry_Int_Tables_number 1 _chemical_formula_structura...	0.048175	null	null	-0.000064	4,467.85076	67.101173
[ 1.8274982399999997, 2.6434130147001045, 1.2372511980661909, 1.82749824, 1.545545871237082, 5.22716232385452, 0, 0, 0, -4.912495868034483e-17, 0.802271458424544, 2.7133476144728284, -2.0737479589079705e-16, 3.386687427512642, 3.7510659074478823 ]	[ 3.65499648, 0, 2.2380398700634217e-16, -2.564997545711419e-16, 4.188958885937186, -1.2385741280792892, 0, 0, 7.70298765 ]	[ 62, 62, 50, 46, 46 ]	[ 1, 1, 1 ]	alex<agm002307076>	Sm2SnPd2	Cmmm	Pd-Sm-Sn	5	# generated using pymatgen data_Sm2SnPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.65499648 _cell_length_b 4.36823104 _cell_length_c 7.70298765 _cell_angle_alpha 106.47167780 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...	0.039917	null	null	0	4,467.85076	74.780106
[ 1.9361931699999997, 2.509836272874354, 6.385621622874354, 1.9361931699999995, 6.385621622874354, 5.241734427125647, 1.93619317, 1.365949077125646, 2.509836272874354, 1.9361931699999997, 5.241734427125646, 1.3659490771256464, 0, 0, 0, -2.373234061529852e-16, 3.87578535, 3.8757853500...	[ 3.87238634, 0, 2.3711527681714667e-16, -4.746468123059704e-16, 7.7515707, 4.746468123059704e-16, 0, 0, 7.7515707 ]	[ 62, 62, 62, 62, 50, 50, 46, 46, 46, 46 ]	[ 1, 1, 1 ]	alex<agm002234203>	Sm2SnPd2	P4/mbm	Pd-Sm-Sn	10	# generated using pymatgen data_Sm2SnPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.87238634 _cell_length_b 7.75157070 _cell_length_c 7.75157070 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	0.025056	null	null	0.000085	4,467.85076	80.152702
[ 5.201122130876526, 4.44423490228691, 5.018935393106538, 0.6040912601477241, 3.09327456771309, 1.6060108025632858, 3.50669795565985, 0.6754801672869101, 0.5142128303981971, 2.2985154353644006, 6.86202930271309, 6.110733365271627, 0, 0, 0, 2.902606695512125, 3.768754735, -1.091797972...	[ 5.8052133910242505, 0, -2.1835959443301767, -4.615393422989181e-16, 7.53750947, 4.615393422989181e-16, 0, 0, 8.80854214 ]	[ 62, 62, 62, 62, 50, 50, 50, 50, 50, 50, 46, 46, 46, 46, 46, 46, 46, 46 ]	[ 1, 1, 1 ]	alex<agm003334830>	Sm2Sn3Pd4	Cmce	Pd-Sm-Sn	18	# generated using pymatgen data_Sm2Sn3Pd4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.20230552 _cell_length_b 7.53750947 _cell_length_c 8.80854214 _cell_angle_alpha 90.00000000 _cell_angle_beta 110.61348682 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...	0.038552	null	null	-0	4,533.343187	88.420624
[ -1.3931521948790962e-16, 2.275190195, 8.300508512735231, 2.275190195, 0, 2.598742687264768, -1.3931521948790962e-16, 2.275190195, 1.3988036864348161, 2.275190195, 2.275190195, 5.4496256, 2.275190195, 0, 9.500447513565184, 0, 0, 5.4496256, 2.275190195, 0, 6.9034396601139205, ...	[ 4.55038039, 0, 2.7863043897581925e-16, -2.7863043897581925e-16, 4.55038039, 2.7863043897581925e-16, 0, 0, 10.8992512 ]	[ 62, 62, 50, 50, 50, 50, 46, 46, 46, 46 ]	[ 1, 1, 1 ]	alex<agm002234173>	Sm(SnPd)2	P4/nmm	Pd-Sm-Sn	10	# generated using pymatgen data_Sm(SnPd)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55038039 _cell_length_b 4.55038039 _cell_length_c 10.89925120 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...	0.034404	null	null	0.000227	4,243.461756	77.699768
[ 0, 0, 0, 1.3799325002245921, 1.7367691231214568, 3.088666809612963, 2.068275937241006, 2.603111228491706, -0.19994764591819458, 0.13067499520930068, 3.4359833954118524, 1.4443595818473838, 3.317533442256298, 0.9038969562013102, 1.444359581847384 ]	[ 4.455169032227835, 0, -1.5054693381526159, -1.0069605947622369, 4.3398803516131625, -1.505469338152616, 0, 0, 5.89965784 ]	[ 62, 50, 50, 46, 46 ]	[ 1, 1, 1 ]	alex<agm002307041>	Sm(SnPd)2	C2/m	Pd-Sm-Sn	5	# generated using pymatgen data_Sm(SnPd)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70265553 _cell_length_b 4.70265553 _cell_length_c 5.89965784 _cell_angle_alpha 108.67089267 _cell_angle_beta 108.67089267 _cell_angle_gamma 95.76063931 _symmetry_Int_Tables_number 1 _chemical_formula_structur...	0.066472	null	null	-0	4,243.461756	70.584343
[ 2.0094568984406065, 0, 7.091952232349804, 0.4097957001386361, 4.208945713447744, 1.4462870708106035, 2.948995347646325, 2.0895421024017664, 2.7465357499452088, 2.0880522137371123, 2.942856129917927, -0.2919806466530845, 1.2365923921483533, 0.5038783324343002, 4.364290684212713, 0.46529...	[ 4.018913796881213, 0, -1.138732156082282, -0.6601227490962516, 6.298487815849511, -2.329763333552851, 0, 0, 7.6613183103909455 ]	[ 62, 50, 50, 46, 46, 46, 46, 46, 46, 46, 46 ]	[ 1, 1, 1 ]	alex<agm003518962>	Sm(SnPd4)2	C2/m	Pd-Sm-Sn	11	# generated using pymatgen data_Sm(SnPd4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.17712569 _cell_length_b 6.74792620 _cell_length_c 7.66131831 _cell_angle_alpha 110.19743573 _cell_angle_beta 105.81972068 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...	0.083876	null	null	-0.000407	6,179.179108	131.699768
[ -2.3582923826722303e-15, 3.631493511918745, 3.6264766010488687, 3.1449656350000006, 1.8157467559593718, 5.254163038951133, 3.1449656350000006, 1.8157467559593718, 8.066796421048869, -2.3582923826722303e-15, 3.631493511918745, 0.8138432189511329, 0, 0, 4.44031982, 0, 0, 0, 1.64872...	[ 6.289931270000001, 0, 1.7817925136858682e-15, -3.1449656350000024, 5.447240267878116, 3.8514720983311733e-16, 0, 0, 8.88063964 ]	[ 58, 58, 58, 58, 12, 12, 48, 48, 48, 48, 48, 48 ]	[ 1, 1, 1 ]	alex<agm003412269>	Ce2MgCd3	P6_3/mmc	Cd-Ce-Mg	12	# generated using pymatgen data_Ce2MgCd3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.28993127 _cell_length_b 6.28993127 _cell_length_c 8.88063964 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...	0.047076	null	null	0.012032	2,055.681319	50.821465
[ -2.320038086717152e-16, 3.7889097302707246, 8.455051038993203, -5.1809198903111523e-17, 0.8461084279840212, 5.13285444270222, 2.291441215, 2.317509079127373, -0.38444586415228876, 2.2914412149999994, 4.232162032416234, 11.148143881620053, 2.291441215, 0.4028561258385115, 2.43976160007536...	[ 4.58288243, 0, 2.8062061493840717e-16, -2.8381300757482673e-16, 4.635018158254746, -0.7688917283045779, 0, 0, 14.35679721 ]	[ 62, 62, 62, 50, 50, 50, 50, 50, 50, 50, 46, 46 ]	[ 1, 1, 1 ]	alex<agm002307849>	Sm3Sn7Pd2	Cmmm	Pd-Sm-Sn	12	# generated using pymatgen data_Sm3Sn7Pd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58288243 _cell_length_b 4.69836012 _cell_length_c 14.35679721 _cell_angle_alpha 99.41888218 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...	0.047157	null	null	0.000169	2,963.843494	51.207909
[ 7.507354166299582, 7.288630912553983, 8.01712572146138, 3.260310211334034, 3.481015454434296, 9.823645910527143, 1.2159620557307464, 1.072307777788958, 5.975181469090675, 5.463006010696295, 4.879923235908644, 4.168661280024912, 3.8282039899477347, 0.6743242534094794, 8.36569125814222, ...	[ 6.153188981696244, 0, 2.3967533787598483, 2.570127240334085, 8.360938690342941, 2.4986309117922065, 0, 0, 9.0969229 ]	[ 62, 62, 62, 62, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 46, 46, 46, 46, 46, 46 ]	[ 1, 1, 1 ]	alex<agm003346101>	Sm2Sn5Pd3	Ibam	Pd-Sm-Sn	20	# generated using pymatgen data_Sm2Sn5Pd3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.60349615 _cell_length_b 9.09692290 _cell_length_c 9.09692290 _cell_angle_alpha 74.05778762 _cell_angle_beta 68.71838890 _cell_angle_gamma 68.71838890 _symmetry_Int_Tables_number 1 _chemical_formula_structural...	0.026813	null	null	-0	3,655.444859	62.827919
[ 2.5878726927652824e-8, 3.710991626456686, 5.367244784864281, 0, 0, 0, 2.2626254185042414, 1.289867559011997, 3.4540029269509644, 2.9024891603724752e-9, 3.311669369869806, 1.7689303428222827, 2.2626254414804783, 1.6891898155988772, 7.052317368992963, 2.262625441904973, 2.1735283286222...	[ 4.52525088, 0, 2.7709170027653713e-16, -2.262625435617032, 5.000859185468683, -0.29776216818475504, 0, 0, 9.11900988 ]	[ 62, 62, 62, 50, 50, 46, 46, 46, 46 ]	[ 1, 1, 1 ]	alex<agm003342821>	Sm3(SnPd2)2	C2/m	Pd-Sm-Sn	9	# generated using pymatgen data_Sm3(SnPd2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52525088 _cell_length_b 5.49697451 _cell_length_c 9.11900988 _cell_angle_alpha 93.10513897 _cell_angle_beta 90.00000000 _cell_angle_gamma 114.30619290 _symmetry_Int_Tables_number 1 _chemical_formula_structu...	0.09553	null	null	-0	4,652.44395	75.955704
[ 2.13352113, 0, 1.306404911383872e-16, -2.4695955204470583e-16, 4.033155555, 4.033155555, -3.8706414625241324e-16, 6.321237217488378, 1.7450738925116214, -1.0685495783699845e-16, 1.745073892511621, 6.321237217488378, 2.1335211299999997, 5.77822944751162, 5.77822944751162, 2.13352113, ...	[ 4.26704226, 0, 2.612809822767744e-16, -4.939191040894117e-16, 8.06631111, 4.939191040894117e-16, 0, 0, 8.06631111 ]	[ 62, 62, 50, 50, 50, 50, 46, 46, 46, 46, 46, 46, 46, 46 ]	[ 1, 1, 1 ]	alex<agm003456532>	Sm(SnPd2)2	P4_2/mnm	Pd-Sm-Sn	14	# generated using pymatgen data_Sm(SnPd2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.26704226 _cell_length_b 8.06631111 _cell_length_c 8.06631111 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...	0.082248	null	null	-0.000029	5,226.351634	93.287659
[ 1.1131987925, 1.2328309269779907, 3.22015948792982, 3.3395963774999995, 4.590972758403304, 2.8539093799608186, 3.3395963774999995, 4.497348183834415, -0.9503951226923611, 1.1131987925, 1.3264555015468804, 7.0244639905829995, 3.3395963775, 1.8817381774412254, 0.9905248553124377, 1.11319...	[ 4.45279517, 0, 2.726550676099647e-16, -3.566051271082381e-16, 5.823803685381295, -2.230961452109362, 0, 0, 8.30503032 ]	[ 62, 62, 62, 62, 50, 50, 46, 46 ]	[ 1, 1, 1 ]	alex<agm003629232>	Sm2SnPd	P2_1/m	Pd-Sm-Sn	8	# generated using pymatgen data_Sm2SnPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45279517 _cell_length_b 6.23649568 _cell_length_c 8.30503032 _cell_angle_alpha 110.96065462 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	0.076041	null	null	0.000084	3,753.024627	51.230373
[ 0, 0, 0, 0, 0, 2.758079695, 2.18604864, 1.262115770765615, 4.137119542500002, -8.27933916980328e-16, 2.5242315415312304, 1.3790398475, -8.27933916980328e-16, 2.5242315415312304, 4.137119542500001, 2.18604864, 1.262115770765615, 1.3790398475000003 ]	[ 4.37209728, 0, 1.2385143602070465e-15, -2.1860486400000014, 3.7863473122968454, 2.6771374697564246e-16, 0, 0, 5.51615939 ]	[ 25, 25, 31, 31, 78, 78 ]	[ 1, 1, 1 ]	mp-569151	MnGaPt	P6_3/mmc	Ga-Mn-Pt	6	# generated using pymatgen data_MnGaPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37209728 _cell_length_b 4.37209728 _cell_length_c 5.51615939 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	0	0	122.431631	null	6,275.708138	148.784134
[ 2.97365181, 7.616035038807338e-17, 2.7550570970110715, -1.4609726691816329e-16, 2.385949434888196, 5.941083081494463, -2.4199964691294313e-16, 3.9521541571240415, 2.281777266494462, 1.4868259049999997, 4.470138778852001, 4.737775802714809, 1.4868259049999994, 1.8679648131602364, 1.078469...	[ 2.97365181, 0, 1.8208365854476166e-16, -3.880969138311065e-16, 6.338103592012239, -3.6593058150000024, 0, 0, 7.3186116299999995 ]	[ 25, 25, 25, 31, 31, 31, 78, 78, 78 ]	[ 1, 1, 1 ]	alex<agm002222880>	MnGaPt	P-62m	Ga-Mn-Pt	9	# generated using pymatgen data_MnGaPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.97365181 _cell_length_b 7.31861163 _cell_length_c 7.31861163 _cell_angle_alpha 120.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	0.023441	null	null	0.083283	6,275.708138	140.265137
[ 0, 0, 0, 1.4227535499999997, 2.4964921935917572, 3.820666494291913e-16, 1.42275355, 1.2482460967958782, 2.1620256600000003 ]	[ 2.8455071, 0, 1.7423705809830335e-16, -2.2929908804838747e-16, 3.7447382903876356, -2.1620256599999994, 0, 0, 4.32405132 ]	[ 25, 31, 78 ]	[ 1, 1, 1 ]	alex<agm001260563>	MnGaPt	P-6m2	Ga-Mn-Pt	3	# generated using pymatgen data_MnGaPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.84550710 _cell_length_b 4.32405132 _cell_length_c 4.32405132 _cell_angle_alpha 120.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	0.065585	null	null	0.084253	6,275.708138	143.749817
[ -1.1849808352856911e-16, 1.935220565, 1.1849808352856911e-16, 0, 0, 1.935220565, 1.9345032599999998, 1.935220565, 1.9352205650000003, 1.93450326, 0, 1.18454161264956e-16 ]	[ 3.86900652, 0, 2.36908322529912e-16, -2.3699616705713823e-16, 3.87044113, 2.3699616705713823e-16, 0, 0, 3.87044113 ]	[ 25, 25, 31, 78 ]	[ 1, 1, 1 ]	alex<agm001215122>	Mn2GaPt	P4/mmm	Ga-Mn-Pt	4	# generated using pymatgen data_Mn2GaPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.86900652 _cell_length_b 3.87044113 _cell_length_c 3.87044113 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	0.057884	null	null	0.120948	5,619.455797	122.798981
[ 1.8700049249999997, 1.974473665, 1.9744736650000003, -1.2090164269214968e-16, 1.974473665, 1.2090164269214968e-16, 0, 0, 1.974473665, 1.870004925, 0, 1.1450477728955182e-16 ]	[ 3.74000985, 0, 2.2900955457910364e-16, -2.4180328538429936e-16, 3.94894733, 2.4180328538429936e-16, 0, 0, 3.94894733 ]	[ 25, 31, 31, 78 ]	[ 1, 1, 1 ]	alex<agm001215362>	MnGa2Pt	P4/mmm	Ga-Mn-Pt	4	# generated using pymatgen data_MnGa2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.74000985 _cell_length_b 3.94894733 _cell_length_c 3.94894733 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	0.092279	null	null	0.045242	5,492.36403	149.53009
[ 1.8489031388154544, 1.9431862373339464, 0.8293805849496919, 0.8925820309222564, 0.9380984398982267, 4.003960432125739, 2.8323979676722986, 2.976833420586897, 5.2411591145210785 ]	[ 3.1704693780112527, 0, -0.7067762278537534, -0.15755794370173812, 3.166552000562179, -0.7067762271598995, 0, 0, 7.4644620903469265 ]	[ 58, 12, 48 ]	[ 1, 1, 1 ]	alex<agm001832214>	CeMgCd	I4mm	Cd-Ce-Mg	3	# generated using pymatgen data_CeMgCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.24829320 _cell_length_b 3.24829320 _cell_length_c 7.46446209 _cell_angle_alpha 102.56716197 _cell_angle_beta 102.56716197 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	0.091202	null	null	0.011211	2,140.816091	50.968624
[ 1.7602282315721047, 1.2446693189806397, 3.0488047300000014, 5.280684694716314, 3.734007956941918, 9.14641419, 0, 0, 0, 3.520456463144209, 2.4893386379612785, 6.09760946, 2.696796387201137, 3.654169888145224, 4.6709883603005595, 2.696796387201137, 3.654169888145224, 7.52423055969944...	[ 5.280684694716314, 0, 3.0488047299999996, 1.7602282315721043, 4.978677275922557, 3.0488047300000005, 0, 0, 6.09760946 ]	[ 56, 56, 62, 51, 8, 8, 8, 8, 8, 8 ]	[ 1, 1, 1 ]	mp-6037	Ba2SmSbO6	Fm-3m	Ba-O-Sb-Sm	10	# generated using pymatgen data_Ba2SmSbO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.09760946 _cell_length_b 6.09760946 _cell_length_c 6.09760946 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...	0	3.6054	null	-0	2,426.68673	114.443253
[ 5.268836280766546, 3.7310157028738313, 9.090922502239572, 1.7613085945756604, 1.247233672444338, 3.0389860459824916, 0, 0, 0, 3.5150724376711033, 2.4891246876590847, 6.064954274111032, 4.277564208668482, 1.1700836012278009, 4.735999144991744, 5.268025801880604, 3.4963676609554906, ...	[ 5.27769378348294, 0, 3.023703189111031, 1.7524510918592666, 4.978249375318169, 3.0237031891110315, 0, 0, 6.08250217 ]	[ 56, 56, 62, 51, 8, 8, 8, 8, 8, 8 ]	[ 1, 1, 1 ]	alex<agm002175149>	Ba2SmSbO6	R-3	Ba-O-Sb-Sm	10	# generated using pymatgen data_Ba2SmSbO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.08250217 _cell_length_b 6.08250217 _cell_length_c 6.08250217 _cell_angle_alpha 60.19068588 _cell_angle_beta 60.19068588 _cell_angle_gamma 60.19068588 _symmetry_Int_Tables_number 1 _chemical_formula_structural...	0.003575	null	null	-0	2,426.68673	112.267021
[ 0, 0, 0, 0, 0, 6.32084861, -5.756607871868862e-16, 3.2073390778861937, 3.1604243050000007, 2.777637119999999, 1.6036695389430966, 9.481272915, 2.777637119999999, 1.6036695389430966, 3.160424305000001, -5.756607871868862e-16, 3.2073390778861937, 9.481272915, 0.657018728989285, 4...	[ 5.55527424, 0, 1.573681114691091e-15, -2.777637120000002, 4.81100861682929, 3.4016244082008727e-16, 0, 0, 12.64169722 ]	[ 37, 37, 82, 82, 53, 53, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]	[ 1, 1, 1 ]	mp-616564	RbPbIO6	P6_322	I-O-Pb-Rb	18	# generated using pymatgen data_RbPbIO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.55527424 _cell_length_b 5.55527424 _cell_length_c 12.64169722 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...	0	1.3747	null	null	2,992.630363	31.96047
[ -5.755732468415432e-16, 3.205973367371431, 6.3453799900000005, 0, 0, 3.172689995, 2.7764543799999992, 1.6029866836857152, 3.172689995000001, 2.117872848631662, 3.016850690129365, 2.0413863467802793, 1.222721495003729, 1.4664030651817288, 4.303993643219723, 3.6716057336279344, 0.32570...	[ 5.55290876, 0, 1.5730110287435105e-15, -2.776454380000002, 4.808960051057146, 3.400175969445649e-16, 0, 0, 6.34537999 ]	[ 37, 82, 53, 8, 8, 8, 8, 8, 8 ]	[ 1, 1, 1 ]	alex<agm005079419>	RbPbIO6	P312	I-O-Pb-Rb	9	# generated using pymatgen data_RbPbIO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.55290876 _cell_length_b 5.55290876 _cell_length_c 6.34537999 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	0.00117	null	null	0.000055	2,992.630363	40.410751
[ 5.253259142421646, 3.714615162936573, 9.09891174, 1.7510863808072157, 1.238205054312192, 3.0329705800000006, 0, 0, 0, 3.5021727616144305, 2.4764101086243824, 6.0659411599999995, 2.7125624543060107, 3.593087714209536, 4.698295989561744, 5.0813933762312695, 3.593087714209536, 6.06594...	[ 5.253259142421647, 0, 3.0329705799999993, 1.7510863808072141, 4.952820217248764, 3.0329705800000006, 0, 0, 6.0659411599999995 ]	[ 37, 37, 82, 53, 8, 8, 8, 8, 8, 8 ]	[ 1, 1, 1 ]	alex<agm004923145>	Rb2PbIO6	Fm-3m	I-O-Pb-Rb	10	# generated using pymatgen data_Rb2PbIO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.06594116 _cell_length_b 6.06594116 _cell_length_c 6.06594116 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	0.089383	null	null	0.000002	3,420.280397	55.13261
[ 0, 0, 0, 1.6529846714015324, 1.1688366703454403, 2.8630534349999994, 4.132461678503832, 2.9220916758636015, 4.2945801525, 4.132461678503832, 2.9220916758636015, 7.1576335875, 1.6529846714015322, 2.9220916758636015, 5.72610687, 3.3059693428030643, 0.5844183351727203, 5.7261068699999...	[ 4.958954014204599, 0, 2.863053435, 1.6529846714015317, 4.675346681381763, 2.8630534350000003, 0, 0, 5.72610687 ]	[ 83, 83, 79, 79, 79, 79 ]	[ 1, 1, 1 ]	mp-570113	BiAu2	Fd-3m	Au-Bi	6	# generated using pymatgen data_BiAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.72610687 _cell_length_b 5.72610687 _cell_length_c 5.72610687 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural B...	0	0	null	0.000003	2,733.087639	98.747314
[ 0, 0, 0, 2.078759651325093, 2.3170377593706126, 0.5682943192175935, 0.966852432131, 1.0776779680318753, 2.9407566372657272 ]	[ 3.4147237518471503, 0, -1.1226817791486798, -0.36911166839105636, 3.3947157274024877, -1.1226817826282267, 0, 0, 5.754414518260227 ]	[ 83, 79, 79 ]	[ 1, 1, 1 ]	alex<agm001850681>	BiAu2	I4/mmm	Au-Bi	3	# generated using pymatgen data_BiAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.59454485 _cell_length_b 3.59454485 _cell_length_c 5.75441452 _cell_angle_alpha 108.19966290 _cell_angle_beta 108.19966290 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	0.078399	null	null	-0.000012	2,733.087639	76.618958
[ 0.038473153972793606, 3.0682917540277845, -0.06549137093120883, 1.4657710942856923, 1.0227639180092618, 2.4951257800465356, 2.931542188571384, 2.045527836018523, 9.307132842195642e-11 ]	[ 4.358840128884283, 0, -2.4296344089291844, -2.854595880625797, 4.091055672037046, -0.13098274195548884, 0, 0, 4.99025156 ]	[ 83, 83, 79 ]	[ 1, 1, 1 ]	alex<agm001850680>	Bi2Au	Fm-3m	Au-Bi	3	# generated using pymatgen data_Bi2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99025156 _cell_length_b 4.99025156 _cell_length_c 4.99025156 _cell_angle_alpha 91.50405650 _cell_angle_beta 119.13546518 _cell_angle_gamma 119.13546518 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	0	null	null	-0	4,398.45664	50.461773
[ -2.443515280373926e-16, 3.990563290697688, 0.9707881773942905, 2.2845572399999994, 4.307016154302313, 4.578933532394291, -9.436860889561147e-17, 1.5411563393023127, 6.245502532605711, 2.28455724, 1.2247034756976878, 2.63735717760571, 2.28455724, 0, 1.3988878557174557e-16, -1.6936006846...	[ 4.56911448, 0, 2.7977757114349113e-16, -3.387201369330041e-16, 5.53171963, 3.387201369330041e-16, 0, 0, 7.21629071 ]	[ 83, 83, 83, 83, 79, 79 ]	[ 1, 1, 1 ]	alex<agm003284933>	Bi2Au	Pnnm	Au-Bi	6	# generated using pymatgen data_Bi2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56911448 _cell_length_b 5.53171963 _cell_length_c 7.21629071 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural B...	0.033398	null	null	-0.000093	4,398.45664	39.06842
[ -6.057065241963738e-16, 2.521379881534644, 3.8474799271970115, 2.1835790300000006, 1.2606899407673215, 1.4393567128029903, 0, 0, 0 ]	[ 4.367158060000001, 0, 1.2371151930553448e-15, -2.1835790300000015, 3.7820698223019655, 2.6741130697747826e-16, 0, 0, 5.28683664 ]	[ 83, 83, 79 ]	[ 1, 1, 1 ]	alex<agm002136668>	Bi2Au	P-3m1	Au-Bi	3	# generated using pymatgen data_Bi2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.36715806 _cell_length_b 4.36715806 _cell_length_c 5.28683664 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	0.027849	null	null	0	4,398.45664	61.238209
[ 4.86037824, 4.766510535432846e-16, 3.25449900553874, 4.86037824, 2.8184788153877407, -1.6272495027693703, -2.2661754257827336e-16, 3.7009453294787247, 2.136741782230628, 2.4301891199999996, 4.973065046637053, -2.871200443373423, 2.43018912, 1.5463590982294122, 0.8927908416265776, 2.430...	[ 4.86037824, 0, 2.976123327130723e-16, -3.9919959556473436e-16, 6.519424144866465, -3.763991285000002, 0, 0, 7.527982569999999 ]	[ 58, 58, 58, 12, 12, 12, 48, 48, 48 ]	[ 1, 1, 1 ]	alex<agm002220247>	CeMgCd	P-62m	Cd-Ce-Mg	9	# generated using pymatgen data_CeMgCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86037824 _cell_length_b 7.52798257 _cell_length_c 7.52798257 _cell_angle_alpha 120.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	0.072147	null	null	0.011561	2,140.816091	48.104851
[ 2.6177983566060035, 0.9001989383939963, 6.135795651606004, 0.900198938393996, 6.135795651606003, 2.617798356606004, 6.135795651606003, 2.6177983566060035, 0.9001989383939969, 4.418196233393997, 4.418196233393997, 4.418196233393997, 2.6177983566060035, 2.6177983566060035, 2.61779835660600...	[ 7.03599459, 0, 4.3083041267307965e-16, -4.3083041267307965e-16, 7.03599459, 4.3083041267307965e-16, 0, 0, 7.03599459 ]	[ 83, 83, 83, 83, 83, 83, 83, 83, 79, 79, 79, 79 ]	[ 1, 1, 1 ]	alex<agm002136669>	Bi2Au	Pa-3	Au-Bi	12	# generated using pymatgen data_Bi2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.03599459 _cell_length_b 7.03599459 _cell_length_c 7.03599459 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural B...	0.035332	null	null	0	4,398.45664	39.545712
[ 0.5063310338003049, 1.7970971475430337, 5.475707381886321, 3.2075064869682115, 3.9758407362182355, 4.003287642093525, 1.9955928560037544, 4.490337545423626, 7.892256190014179, 1.7182446647647618, 1.282600338337643, 1.5867388339656674, 0.5997113614944841, 4.753982422930908, 5.276880574203...	[ 4.045614358474936, 0, 1.2361177961286822, -0.3317768377064194, 5.772937883761269, 1.0979991378511647, 0, 0, 7.14487809 ]	[ 83, 83, 83, 83, 79, 79 ]	[ 1, 1, 1 ]	alex<agm002136665>	Bi2Au	C2/m	Au-Bi	6	# generated using pymatgen data_Bi2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.23024618 _cell_length_b 5.88578710 _cell_length_c 7.14487809 _cell_angle_alpha 79.24843076 _cell_angle_beta 73.00972264 _cell_angle_gamma 89.96544732 _symmetry_Int_Tables_number 1 _chemical_formula_structural B...	0.043337	null	null	0	4,398.45664	47.5242
[ 5.6600180756061285, 3.826311415753835, 7.120719686711164, 2.873518022776041, 1.6320449336178655, 2.3634184788076253, 1.88232262808142, 5.757186552877366, 8.356034572759395, 6.0380550033231914, 0.47982002632558257, 4.742069082759394, 5.046859608628569, 4.604961645585085, 10.73468517671116...	[ 6.41589565692537, 0, 2.9350863377593948, 1.5044819744792406, 6.23700657920295, 2.9350863377593948, 0, 0, 7.22793098 ]	[ 83, 83, 83, 83, 83, 83, 79, 79, 79, 79 ]	[ 1, 1, 1 ]	alex<agm003287489>	Bi3Au2	C2/c	Au-Bi	10	# generated using pymatgen data_Bi3Au2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.05538439 _cell_length_b 7.05538439 _cell_length_c 7.22793098 _cell_angle_alpha 65.41727831 _cell_angle_beta 65.41727831 _cell_angle_gamma 68.47096420 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	0.058088	null	null	-0.000007	4,070.609068	58.596104
[ 0, 0, 0, -1.752935941274997e-16, 2.86276164277808, 1.1083433801123999, -8.670590838033625e-17, 1.4160149430954996, 3.7506772170583766, 2.184603425, 2.13938829293679, -0.8076956814146117, 2.184603425, 0.7511872375234003, 1.9897111817805018, 2.184603425, 3.5275893483501792, 2.8693094...	[ 4.36920685, 0, 2.675367591832595e-16, -2.6199950250783596e-16, 4.27877658587358, -1.6153913628292236, 0, 0, 6.47441196 ]	[ 83, 79, 79, 79, 79, 79 ]	[ 1, 1, 1 ]	alex<agm001193495>	BiAu5	Cmmm	Au-Bi	6	# generated using pymatgen data_BiAu5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.36920685 _cell_length_b 4.57355642 _cell_length_c 6.47441196 _cell_angle_alpha 110.68331725 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	0.064063	null	null	0.000024	1,875.264204	92.208237
[ 2.778859106245897, 3.9213970981468815, 2.8095312573677798, 0.7645110634451242, 1.0788425577088656, 5.965146994127344, 3.619881488662353, 1.314965424811979, 1.252259466552614, 3.50236852254809, 1.149136576822041, 7.52241878494251, 0.04100164714293148, 3.851103079033706, 1.252259466552614,...	[ 5.299738240264576, 0, -0.1910683692524382, -1.7563680705735543, 5.000239655855747, -0.1910683692524382, 0, 0, 9.15681499 ]	[ 83, 83, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79 ]	[ 1, 1, 1 ]	alex<agm002254457>	BiAu5	C2/m	Au-Bi	12	# generated using pymatgen data_BiAu5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.30318136 _cell_length_b 5.30318136 _cell_length_c 9.15681499 _cell_angle_alpha 92.06475703 _cell_angle_beta 92.06475703 _cell_angle_gamma 109.24924986 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	0.059016	null	null	-0	1,875.264204	96.545815
[ 2.338813825, 1.9830725209795683e-32, 1.4321104322939142e-16, 4.67762765, 9.555345698385758e-17, 2.8171452650000006, 2.338813825, 1.6264795770940295, 2.817145265, 4.67762765, 2.4397193656410443, 4.225717897499999, 2.338813825, 3.252959154188059, -1.1404634742140373e-15, -1.4938972559750...	[ 4.67762765, 0, 2.864220864587828e-16, -2.987794511950116e-16, 4.879438731282089, -2.817145265000002, 0, 0, 5.63429053 ]	[ 83, 79, 79, 79, 79, 79 ]	[ 1, 1, 1 ]	alex<agm002330186>	BiAu5	P6/mmm	Au-Bi	6	# generated using pymatgen data_BiAu5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67762765 _cell_length_b 5.63429053 _cell_length_c 5.63429053 _cell_angle_alpha 120.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	0.08363	null	null	0.000021	1,875.264204	101.778404
[ 0, 0, 0, -1.344724024003917e-16, 2.19610099, 2.19610099, 2.19610099, 0, 2.19610099, 2.19610099, 2.19610099, 2.689448048007834e-16 ]	[ 4.39220198, 0, 2.689448048007834e-16, -2.689448048007834e-16, 4.39220198, 2.689448048007834e-16, 0, 0, 4.39220198 ]	[ 83, 79, 79, 79 ]	[ 1, 1, 1 ]	alex<agm001190602>	BiAu3	Pm-3m	Au-Bi	4	# generated using pymatgen data_BiAu3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39220198 _cell_length_b 4.39220198 _cell_length_c 4.39220198 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural B...	0.083146	null	null	0.000026	2,306.323274	83.776321
[ -1.35004829842789e-16, 2.20479619, 1.809769258864644, 0, 0, 5.228898495433696, 1.816256765, 0, 2.9039603625060098, 1.8162567649999999, 2.20479619, 4.772128842540041 ]	[ 3.63251353, 0, 2.2242730336869766e-16, -2.70009659685578e-16, 4.40959238, 2.70009659685578e-16, 0, 0, 5.51803317 ]	[ 83, 79, 79, 79 ]	[ 1, 1, 1 ]	alex<agm001828574>	BiAu3	Pmm2	Au-Bi	4	# generated using pymatgen data_BiAu3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.63251353 _cell_length_b 4.40959238 _cell_length_c 5.51803317 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural B...	0.095808	null	null	0.000032	2,306.323274	86.108986
[ 1.8877865321689034, 1.4951064325, 4.174664370409288, 2.794669780618491, 4.4853192975, -0.05596133150010984, 1.5984800323920711, 4.4853192975, 3.5348898336315027, 3.083976280395323, 1.4951064325, 0.5838132052776758, 4.0787360761336915, 5.9100688918909015, 2.7836318955056076, 0.603720236...	[ 4.682456312787394, 0, -2.117410481090822, -3.661954613891487e-16, 5.98042573, 3.661954613891487e-16, 0, 0, 6.23611352 ]	[ 83, 83, 79, 79, 79, 79, 79, 79 ]	[ 1, 1, 1 ]	alex<agm003297003>	BiAu3	Cmcm	Au-Bi	8	# generated using pymatgen data_BiAu3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.13895167 _cell_length_b 5.98042573 _cell_length_c 6.23611352 _cell_angle_alpha 90.00000000 _cell_angle_beta 114.33252081 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	0.062892	null	null	-0.000123	2,306.323274	83.921005
[ 3.609317055, 1.833852552777202, 3.1763257949999995, 1.2031056849999997, 3.667705105554404, -1.0057260874107853e-15, 1.2031056850000001, 0.8699607073406341, 1.5068161457025375, 1.203105685, 3.7616362436503374, 3.1763257949999986, 1.203105685, 0.8699607073406345, 4.845835444297462, 3.609...	[ 4.81242274, 0, 2.9467590523424676e-16, -3.3687324883002047e-16, 5.501557658331606, -3.1763257950000017, 0, 0, 6.35265159 ]	[ 83, 83, 79, 79, 79, 79, 79, 79 ]	[ 1, 1, 1 ]	alex<agm002136646>	BiAu3	P6_3/mmc	Au-Bi	8	# generated using pymatgen data_BiAu3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81242274 _cell_length_b 6.35265159 _cell_length_c 6.35265159 _cell_angle_alpha 120.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...	0.049343	null	null	0.000034	2,306.323274	81.150879
[ 1.6065074599999998, 1.9838594228018578, 5.720987505703741, 1.6065074599999998, 2.8935935648371465, 0.466056432478496, 0, 0, 0, -2.3896165463586993e-16, 3.9025399780939996, 3.3756223814684048, -5.969620482932015e-17, 0.9749130095450047, 2.811421556713832 ]	[ 3.21301492, 0, 1.9674042186953447e-16, -2.9865785946519007e-16, 4.877452987639004, -1.6913480518177628, 0, 0, 7.87839199 ]	[ 58, 58, 12, 48, 48 ]	[ 1, 1, 1 ]	alex<agm003392695>	Ce2MgCd2	Cmmm	Cd-Ce-Mg	5	# generated using pymatgen data_Ce2MgCd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.21301492 _cell_length_b 5.16238374 _cell_length_c 7.87839199 _cell_angle_alpha 109.12494526 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...	0.058713	null	null	0.012387	2,216.152554	59.83028
[ -5.713565220943907e-16, 3.1401885534952543, 8.300115311664001, 2.7194830599999995, 1.570094276747627, 0.5570066883360026, 2.7194830599999995, 1.570094276747627, 3.871554311664001, -5.713565220943907e-16, 3.1401885534952543, 4.985567688336001, -1.3248492025986716, 3.9050905972512573, 2.21...	[ 5.43896612, 0, 1.5407337057924755e-15, -2.7194830600000017, 4.710282830242881, 3.3304062247644493e-16, 0, 0, 8.857122 ]	[ 39, 39, 39, 39, 75, 75, 75, 75, 75, 75, 75, 75 ]	[ 1, 1, 1 ]	mp-570923	YRe2	P6_3/mmc	Re-Y	12	# generated using pymatgen data_YRe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.43896612 _cell_length_b 5.43896612 _cell_length_c 8.85712200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y...	0	0	202.848273	-0.000007	3,165.095562	207.435394
[ 1.5697782409837768, 1.1100008391587166, 2.7189356700000005, 0, 0, 0, 3.924445602459439, 2.775002097896795, 6.797339174999999, 3.924445602459439, 2.7750020978967944, 4.078403504999999, 3.1395564819675505, 0.5550004195793586, 5.437871339999999, 1.5697782409837755, 2.7750020978967944, ...	[ 4.7093347229513265, 0, 2.7189356699999996, 1.5697782409837746, 4.440003356634873, 2.7189356699999996, 0, 0, 5.43787134 ]	[ 39, 39, 75, 75, 75, 75 ]	[ 1, 1, 1 ]	alex<agm003202278>	YRe2	Fd-3m	Re-Y	6	# generated using pymatgen data_YRe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.43787134 _cell_length_b 5.43787134 _cell_length_c 5.43787134 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YR...	0.026039	null	null	-0.000017	3,165.095562	208.327133
[ -2.168363296510701e-16, 3.541206, 3.6897915, 3.541206, 0, 2.168363296510701e-16, 3.541206, 0, 3.6897915, -2.168363296510701e-16, 3.541206, 2.168363296510701e-16, 2.4456276877199996, 4.63678431228, 1.7583848984910004, 4.63678431228, 2.44562768772, 1.7583848984910004, 1.09557831228...	[ 7.082412, 0, 4.336726593021402e-16, -4.336726593021402e-16, 7.082412, 4.336726593021402e-16, 0, 0, 7.379583 ]	[ 49, 49, 49, 49, 49, 49, 49, 49, 49, 49, 49, 49, 44, 44, 44, 44 ]	[ 1, 1, 1 ]	mp-607450	In3Ru	P4_2/mnm	In-Ru	16	# generated using pymatgen data_In3Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.08241200 _cell_length_b 7.08241200 _cell_length_c 7.37958300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural I...	0	0.229	null	-0.000002	3,361.138794	69.457733

[ 4.19319323, 3.67218943215883, 2.120139557172199, 4.19319323, 2.6518506001162723, -1.531046657827801, 4.19319323, 6.081090374863173e-16, 3.0620933156556003, 2.0965966149999993, 4.865735119990958, -2.8092334813321975, 2.096596615, 3.0687557459075013e-16, 5.618466962664392, 2.096596615, ...

[ 4.19319323, 0, 2.5675903336629256e-16, -3.872357691602714e-16, 6.324040032275102, -3.6511862150000023, 0, 0, 7.302372429999999 ]

[ 59, 59, 59, 13, 13, 13, 78, 78, 78 ]

[ 1, 1, 1 ]

alex<agm002197424>

PrAlPt

P-62m

Al-Pr-Pt

9

# generated using pymatgen data_PrAlPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.19319323 _cell_length_b 7.30237243 _cell_length_c 7.30237243 _cell_angle_alpha 120.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...

0.020798

null

0.000004

6,168.664033

104.776672

[ 1.605789131765463, 1.734908746794568, 5.779898740069921, 0.48247160560380525, 2.7746240200208048, 1.736614765069921, 3.0485482443836647, 1.0403209281671963, 2.886416959840052, 0.0005605794246261255, 0.0006056549409597471, 0.0020177570022607842, 3.2053101967292026, 3.463045328951283, 3.45...

[ 4.171305191120696, 0, -1.1588847717630768, -0.32196491352593354, 4.158861092904946, -1.1588847725613405, 0, 0, 8.086567949600868 ]

[ 59, 59, 13, 13, 78, 78 ]

[ 1, 1, 1 ]

alex<agm001012072>

PrAlPt

I4_1md

Al-Pr-Pt

6

# generated using pymatgen data_PrAlPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.32929566 _cell_length_b 4.32929566 _cell_length_c 8.08656795 _cell_angle_alpha 105.52651960 _cell_angle_beta 105.52651960 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...

0.084984

null

0.000084

6,168.664033

111.320297

[ 1.4139503899999997, 2.1200504273825627, 4.6977288395176835, 4.2418511699999994, 3.7838243226174373, 3.158812600482317, 4.2418511699999994, 2.1200504273825627, 7.087083320482318, 1.4139503899999997, 3.7838243226174373, 0.7694581195176835, -3.8206634259203556e-17, 0.6239616889670475, 1.964...

[ 5.65580156, 0, 3.463179638533303e-16, -3.61508065757719e-16, 5.90387475, 3.61508065757719e-16, 0, 0, 7.85654144 ]

[ 59, 59, 59, 59, 13, 13, 13, 13, 78, 78, 78, 78 ]

[ 1, 1, 1 ]

alex<agm002329497>

PrAlPt

Pbcm

Al-Pr-Pt

12

# generated using pymatgen data_PrAlPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.65580156 _cell_length_b 5.90387475 _cell_length_c 7.85654144 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...

0.047269

null

0.000001

6,168.664033

109.062897

[ 0, 0, 0, 2.03069619, 1.2753383101391256, 2.20895075, 2.03069619, 2.550676620278251, -6.738665458971838e-16 ]

[ 4.06139238, 0, 2.4868855891242253e-16, -2.3427584690128124e-16, 3.826014930417377, -2.2089507500000014, 0, 0, 4.4179015 ]

[ 59, 13, 78 ]

[ 1, 1, 1 ]

alex<agm001260948>

PrAlPt

P-6m2

Al-Pr-Pt

3

# generated using pymatgen data_PrAlPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.06139238 _cell_length_b 4.41790150 _cell_length_c 4.41790150 _cell_angle_alpha 120.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...

0.09187

null

0.000149

6,168.664033

111.939003

[ 2.9092067875254326, 1.4623003840658746, 1.3386980921620988, 0.0055764709251938755, 3.374960014613443, 0.013697647541246335, 0, 0, 0, 1.7368460251941125, 1.2342554821867762, -1.54099272084306, 1.1779372332565134, 3.6030049164925413, -2.913850457704151 ]

[ 4.05613967486105, 0, -1.6513088463121195, -1.1413564164104235, 4.837260398679317, -2.8035343322350923, 0, 0, 5.807238918250556 ]

[ 59, 59, 13, 78, 78 ]

[ 1, 1, 1 ]

alex<agm002197419>

Pr2AlPt2

Immm

Al-Pr-Pt

5

# generated using pymatgen data_Pr2AlPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37939379 _cell_length_b 5.70627614 _cell_length_c 5.80723892 _cell_angle_alpha 119.42653379 _cell_angle_beta 112.15189733 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...

0.050241

null

0

6,368.185526

101.300957

[ 2.4825202958872317, 2.4148597894760617, 6.114746278982794, 4.974244638304211, 3.9168428116793628, 8.454582351406296, 5.786382933161372, 2.5695407924221194, 4.397734826406296, 3.2946585907443913, 1.067557770218818, 2.0578987539827946, 5.232998690896859, 0.6697585915262059, 7.2846643151945...

[ 5.636721533075848, 0, 1.1993930276945448, 2.632181695972755, 4.984400581898181, 1.199393027694545, 0, 0, 8.11369505 ]

[ 59, 59, 59, 59, 13, 13, 78, 78, 78, 78 ]

[ 1, 1, 1 ]

alex<agm002250302>

Pr2AlPt2

C2/c

Al-Pr-Pt

10

# generated using pymatgen data_Pr2AlPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.76291361 _cell_length_b 5.76291361 _cell_length_c 8.11369505 _cell_angle_alpha 77.98764083 _cell_angle_beta 77.98764083 _cell_angle_gamma 60.65557110 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...

0.043868

null

0.000189

6,368.185526

98.60041

[ 2.2458480024816616, 1.2077079631382028, 5.571914634997368, 0, 0, 0, 2.2250741699156786e-8, 4.1913450658268205, 1.3420494482989358, 2.245848024879716, 2.42685047270539, -0.05338229961202339, -1.4731327004100928e-10, 2.9722025562596337, 6.967346382908327, 2.2458480247917487, 4.20168095...

[ 4.49169605, 0, 2.750370595187655e-16, -2.245848025267597, 5.399053028965024, -1.6011570267036976, 0, 0, 8.51512111 ]

[ 59, 59, 59, 13, 13, 13, 13, 78, 78 ]

[ 1, 1, 1 ]

alex<agm003338042>

Pr3(Al2Pt)2

C2/m

Al-Pr-Pt

9

# generated using pymatgen data_Pr3(Al2Pt)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49169605 _cell_length_b 6.06278078 _cell_length_c 8.51512111 _cell_angle_alpha 105.31325246 _cell_angle_beta 90.00000000 _cell_angle_gamma 111.74226246 _symmetry_Int_Tables_number 1 _chemical_formula_struct...

0.086648

null

-0

5,396.181365

82.465118

[ 1.7381669622825349, 2.583009359493026, -0.005693756514055282, 0.8757441105364527, 1.3014028028642057, 2.725111623915845, 0, 0, 0 ]

[ 3.154245665609775, 0, -1.0136509968916614, -0.5403345927907878, 3.884412162357232, -1.6813953249350226, 0, 0, 5.4144641892284735 ]

[ 12, 12, 48 ]

[ 1, 1, 1 ]

alex<agm003273285>

Mg2Cd

Immm

Cd-Mg

3

# generated using pymatgen data_Mg2Cd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.31311848 _cell_length_b 4.26704928 _cell_length_c 5.41446419 _cell_angle_alpha 113.20622036 _cell_angle_beta 107.81537086 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...

0.098109

null

-0.000019

1,058.491128

39.976978

[ 3.470404337259554, 3.609282727044072, -0.9658621555815314, 3.59707263634367, 0.4483010157496673, 3.586587851919794, -0.45871460849531304, 4.165685359871295, 2.9051960625575983, 0.7628016522034696, 4.976681386069222, 0.058924403798884695, 0.8894699512875858, 1.815699674774816, 4.611374411...

[ 5.555084237087096, 0, -0.9993757221406608, -1.1952099485399559, 5.424982401818888, -0.9993757221406608, 0, 0, 5.6442637 ]

[ 40, 40, 40, 40, 40, 40, 81, 6 ]

[ 1, 1, 1 ]

alex<agm003767053>

Zr6TlC

R-3

C-Tl-Zr

8

# generated using pymatgen data_Zr6TlC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.64426370 _cell_length_b 5.64426370 _cell_length_c 5.64426370 _cell_angle_alpha 100.19858439 _cell_angle_beta 100.19858439 _cell_angle_gamma 100.19858439 _symmetry_Int_Tables_number 1 _chemical_formula_structural...

0.098488

null

0.00342

3,610.650773

100.490173

[ 2.8411593427807693, 1.803861298326896, 4.5049524632837805, 1.6604202854038628, 1.054206234299208, 1.6314983248241015, 4.021898400157675, 2.553516362354584, 7.37840660174346, 0, 0, 0 ]

[ 3.9864367422584213, 0, 1.5396836432837813, 1.6958819433031171, 3.607722596653792, 1.5396836432837813, 0, 0, 5.93053764 ]

[ 59, 13, 13, 78 ]

[ 1, 1, 1 ]

alex<agm001931797>

PrAl2Pt

R-3m

Al-Pr-Pt

4

# generated using pymatgen data_PrAl2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.27344166 _cell_length_b 4.27344166 _cell_length_c 5.93053764 _cell_angle_alpha 68.88191616 _cell_angle_beta 68.88191616 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...

0.067663

null

0.000088

5,811.0366

94.666618

[ 0, 0, 0, 2.14301219, 0, 5.652763133045079, -1.3122165095086297e-16, 2.14301219, 5.652763133045079, 2.14301219, 2.14301219, 1.2591469820859158, 2.14301219, 2.14301219, 7.227307057914085, -1.3122165095086297e-16, 2.14301219, 2.833690906954921, 2.14301219, 0, 2.833690906954921, ...

[ 4.28602438, 0, 2.6244330190172594e-16, -2.6244330190172594e-16, 4.28602438, 2.6244330190172594e-16, 0, 0, 8.48645404 ]

[ 59, 13, 13, 13, 13, 13, 13, 78 ]

[ 1, 1, 1 ]

alex<agm002249389>

PrAl6Pt

P4/mmm

Al-Pr-Pt

8

# generated using pymatgen data_PrAl6Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.28602438 _cell_length_b 4.28602438 _cell_length_c 8.48645404 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...

0

null

0

4,768.143213

88.50528

[ 2.5508649924556743, 5.0563575675, 1.2331636808961774, 1.5959657377417986, 1.6854525225, 5.973736810343331, 0.77234552329868, 0.35524579456376465, 2.890907225465541, 3.374485206898793, 6.386564295436235, 4.315993265773967, 3.374485206898793, 3.726150839563765, 4.315993265773967, 0.77234...

[ 4.146830730197474, 0, -1.1078827187604918, -4.1281680735889147e-16, 6.74181009, 4.1281680735889147e-16, 0, 0, 8.31478321 ]

[ 59, 59, 13, 13, 13, 13, 13, 13, 13, 13, 78, 78 ]

[ 1, 1, 1 ]

alex<agm002196266>

PrAl4Pt

Cmcm

Al-Pr-Pt

12

# generated using pymatgen data_PrAl4Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.29227320 _cell_length_b 6.74181009 _cell_length_c 8.31478321 _cell_angle_alpha 90.00000000 _cell_angle_beta 104.95800215 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...

0

null

0.000047

5,226.202343

88.550232

[ -2.7910449701260827e-16, 4.558122345266108, 5.927792070000001, -1.5612659943257822e-16, 2.5497408647338915, 1.9759306900000002, 0, 0, 3.95186138, 0, 0, 0, 2.0649523999999997, 6.8325714742374055, 5.927792070000001, 2.0649524, 0.2752917357625939, 1.9759306900000002, 2.0649523999999...

[ 4.1299048, 0, 2.528837347051645e-16, -4.3523109644518655e-16, 7.10786321, 4.3523109644518655e-16, 0, 0, 7.90372276 ]

[ 59, 59, 13, 13, 13, 13, 13, 13, 13, 13, 78, 78 ]

[ 1, 1, 1 ]

alex<agm002251791>

PrAl4Pt

Pmma

Al-Pr-Pt

12

# generated using pymatgen data_PrAl4Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.12990480 _cell_length_b 7.10786321 _cell_length_c 7.90372276 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...

0.098916

null

0.000633

5,226.202343

91.858459

[ 3.2201176125, 2.6312707328176352, 5.719403178194898, 1.0733725375, 1.570198702182365, 0.17051984819489857, 3.2201176124999997, 6.832740167817636, 10.927246811805102, 1.0733725374999996, 5.771668137182364, 5.378363481805102, 1.0733725375, 0.5002934181775617, 6.483317058414665, 3.2201176...

[ 4.29349015, 0, 2.629004484684095e-16, -5.145316095288188e-16, 8.40293887, 5.145316095288188e-16, 0, 0, 11.09776666 ]

[ 59, 59, 59, 59, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 13, 78, 78, 78, 78 ]

[ 1, 1, 1 ]

alex<agm003718945>

PrAl3Pt

Pnma

Al-Pr-Pt

20

# generated using pymatgen data_PrAl3Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.29349015 _cell_length_b 8.40293887 _cell_length_c 11.09776666 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...

0.000727

null

0.00036

5,499.696042

88.884361

[ 2.790382301705805, 3.079966791104067, 0.35940579911012077, 1.7276107360058897, 0.2035509663879312, 6.386625880531619, 0.929337877028672, 2.0294266123847837, 3.4355733647364266, -0.2289905481306428, 5.258167480252526, -0.84653154479458, 3.669586315993463, 4.719695770056711, 3.609644356936...

[ 5.0190646307013465, 0, -1.3576793071121267, -0.4201404376792112, 6.7491223824414925, -1.553173860451981, 0, 0, 9.956070889236551 ]

[ 59, 59, 59, 59, 59, 59, 59, 59, 13, 13, 78 ]

[ 1, 1, 1 ]

alex<agm003527141>

Pr8Al2Pt

C2/m

Al-Pr-Pt

11

# generated using pymatgen data_Pr8Al2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.19945217 _cell_length_b 6.93826491 _cell_length_c 9.95607089 _cell_angle_alpha 102.93562979 _cell_angle_beta 105.13651061 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...

0.049438

null

0.000001

3,868.128446

55.238213

[ -1.3922160831588346e-16, 3.326686650773012, 8.165476594663502, 2.8809951499999995, 1.6633433253865058, 3.7921454896635023, -1.3922160831588346e-16, 3.326686650773012, 4.954516720336498, 2.8809951499999995, 1.6633433253865058, 0.5811856153364992, 2.880995149999999, 3.374297890717076, 6.55...

[ 5.761990300000001, 0, 1.6322390086260177e-15, -2.8809951500000017, 4.9900299761595175, 3.5282014888065485e-16, 0, 0, 8.74666221 ]

[ 59, 59, 59, 59, 13, 13, 13, 13, 13, 13, 78, 78 ]

[ 1, 1, 1 ]

alex<agm002195962>

Pr2Al3Pt

P6_3/mmc

Al-Pr-Pt

12

# generated using pymatgen data_Pr2Al3Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.76199030 _cell_length_b 5.76199030 _cell_length_c 8.74666221 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...

0.040291

null

0.000002

4,893.548838

95.148933

[ 4.785950564199497, 4.523470049552759, 4.850215100767732, 0.5750753762756944, 3.1182996104472407, 1.589644133015793, 3.2555883465132904, 0.7025852195527592, 0.6199321749075559, 2.1054375939619008, 6.9391844404472405, 5.81992705887597, 0, 0, 0, 2.6805129702375954, 3.82088483, -0.9697...

[ 5.361025940475192, 0, -1.9394239162164737, -4.679234376970178e-16, 7.64176966, 4.679234376970178e-16, 0, 0, 8.37928315 ]

[ 59, 59, 59, 59, 13, 13, 13, 13, 13, 13, 78, 78, 78, 78, 78, 78, 78, 78 ]

[ 1, 1, 1 ]

alex<agm003334179>

Pr2Al3Pt4

Cmce

Al-Pr-Pt

18

# generated using pymatgen data_Pr2Al3Pt4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.70104940 _cell_length_b 7.64176966 _cell_length_c 8.37928315 _cell_angle_alpha 90.00000000 _cell_angle_beta 109.88827847 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...

0.016846

null

0

7,047.203594

132.461411

[ 2.5566618666674272, 3.054563953004198, 7.499077258362787, 0, 0, 0, 3.43782277360808, 2.363032761672535, 4.140690610227691, 1.3900638406749621, 0.02667965930899848, 3.323688620313804, 4.604420799600545, 5.390917055367735, 8.316079248276674, 1.8296526962813175, 1.8954455151774352, 1....

[ 4.232846980865502, 0, 1.1105985334762383, 1.7616376594100052, 5.417596714676733, 1.9075017851142395, 0, 0, 8.62166755 ]

[ 59, 59, 59, 13, 13, 78, 78, 78, 78 ]

[ 1, 1, 1 ]

alex<agm003338041>

Pr3(AlPt2)2

C2/m

Al-Pr-Pt

9

# generated using pymatgen data_Pr3(AlPt2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37611959 _cell_length_b 6.00768545 _cell_length_c 8.62166755 _cell_angle_alpha 71.48757724 _cell_angle_beta 75.29832938 _cell_angle_gamma 68.64102022 _symmetry_Int_Tables_number 1 _chemical_formula_structur...

0.043901

null

-0

6,734.537374

110.418823

[ 2.131072340801425, 1.2536789721249926, 3.182706607662804, 0, 0, 0, 2.5709407205477984e-9, 4.0217512080875695, 4.793697846070203, 2.131072341222197, 1.911896294864979, 6.698147396358451, 2.1501694133514615e-9, 3.3635338853475827, 1.2782570573745564, -1.9396351975267475e-8, 2.994672483...

[ 4.26214468, 0, 2.6098109199324596e-16, -2.1310723366276334, 5.275430180212561, -0.9155405962669931, 0, 0, 8.89194505 ]

[ 59, 59, 59, 13, 13, 78, 78, 78, 78 ]

[ 1, 1, 1 ]

alex<agm002248318>

Pr3(AlPt2)2

C2/m

Al-Pr-Pt

9

# generated using pymatgen data_Pr3(AlPt2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.26214468 _cell_length_b 5.76279858 _cell_length_c 8.89194505 _cell_angle_alpha 99.14136127 _cell_angle_beta 90.00000000 _cell_angle_gamma 111.70317010 _symmetry_Int_Tables_number 1 _chemical_formula_structu...

0.06144

null

0.000274

6,734.537374

109.454575

[ 0.3225239866864596, 3.0367334003298905, 0.6725492683392106, 1.6018463028062468, 2.0244889335532603, -1.9951818905238548, 2.8811686189260333, 1.0122444667766302, 0.6725492694761451, 0, 0, 0, 2.2624758581490285, 2.5306111669415756, 1.3828546669034487, 0.14029359606034172, 0.50612223338...

[ 4.160490935045821, 0, -1.9951818893869202, -0.9567983294333271, 4.048977867106521, -1.9951818916607897, 0, 0, 5.335462318863066 ]

[ 3, 3, 24, 24, 7, 7, 7, 7 ]

[ 1, 1, 1 ]

mp-1029395

LiCrN2

I-42d

Cr-Li-N

8

# generated using pymatgen data_LiCrN2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61415600 _cell_length_b 4.61415600 _cell_length_c 5.33546232 _cell_angle_alpha 115.62025382 _cell_angle_beta 115.62025382 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...

0.016549

0

85.407652

0.022038

2,948.147624

98.667175

[ -1.33072151047421e-16, 2.17323315, 7.768507290281371, 2.17323315, 0, 2.54956337971863, -1.33072151047421e-16, 2.17323315, 1.2839775155728925, 0, 0, 5.159035335, 2.17323315, 0, 9.034093154427108, 2.17323315, 2.17323315, 5.159035335, 2.17323315, 0, 6.529986860490817, 2.173233...

[ 4.3464663, 0, 2.66144302094842e-16, -2.66144302094842e-16, 4.3464663, 2.66144302094842e-16, 0, 0, 10.31807067 ]

[ 59, 59, 13, 13, 13, 13, 78, 78, 78, 78 ]

[ 1, 1, 1 ]

alex<agm002328193>

Pr(AlPt)2

P4/nmm

Al-Pr-Pt

10

# generated using pymatgen data_Pr(AlPt)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34646630 _cell_length_b 4.34646630 _cell_length_c 10.31807067 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...

0

null

0.000205

6,907.757392

122.166313

[ 1.3088364874731468, 2.5882672527891053, 2.8634116937306686, 4.225717618832964, 2.657843375305358, 7.642976861815897, 2.012503152571004, 0, 0.6356843067598714, 2.7246867797446925, 4.475191628551817, 5.388030100725539, 2.8098673265614185, 0.7709189995426456, 5.118358454821028, 1.97346324...

[ 4.025006305142008, 0, 1.2713686135197428, 1.5095478011641035, 5.246110628094463, 2.2279829120268233, 0, 0, 7.00703703 ]

[ 59, 59, 13, 13, 13, 78, 78 ]

[ 1, 1, 1 ]

alex<agm003309461>

Pr2Al3Pt2

C2/m

Al-Pr-Pt

7

# generated using pymatgen data_Pr2Al3Pt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.22102522 _cell_length_b 5.89612747 _cell_length_c 7.00703703 _cell_angle_alpha 67.79805338 _cell_angle_beta 72.47036738 _cell_angle_gamma 69.02571292 _symmetry_Int_Tables_number 1 _chemical_formula_structural...

0.046472

null

0.000454

5,983.44244

91.657219

[ 3.903140131289272, 2.402617642063404, 6.391332779061051, 5.036171595083262, 3.1000666939438863, 2.7933584246919274, 2.7701086674952817, 1.7051685901829217, 9.989307133430174, 5.985515985151432, 2.0693653010051114, 9.171621501907671, 7.167298987129638, 4.411903855148724, 9.997863826468208...

[ 5.382095879682434, 0, 1.6948659240610506, 2.42418438289611, 4.805235284126808, 1.6948659240610506, 0, 0, 9.39293371 ]

[ 59, 59, 59, 13, 13, 13, 13, 13, 13, 13, 78, 78 ]

[ 1, 1, 1 ]

alex<agm002329144>

Pr3Al7Pt2

R-3m

Al-Pr-Pt

12

# generated using pymatgen data_Pr3Al7Pt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.64265244 _cell_length_b 5.64265244 _cell_length_c 9.39293371 _cell_angle_alpha 72.52035972 _cell_angle_beta 72.52035972 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...

0.036229

null

0.000286

5,040.959954

89.768814

[ 0, 0, 0, 2.095478105, 2.393108380185417, 1.3816617674999994, 2.095478105, 2.0928659607494473e-16, 2.763323535, 2.095478105, 2.3931083801854176, -1.381661767500001, 4.19095621, 1.5954055867902783, 2.763323535, 4.19095621, 3.1908111735805567, -8.316811287804408e-16 ]

[ 4.19095621, 0, 2.5662205539716114e-16, -2.9307125178067784e-16, 4.786216760370834, -2.763323535000002, 0, 0, 5.52664707 ]

[ 59, 13, 13, 13, 78, 78 ]

[ 1, 1, 1 ]

alex<agm002195965>

PrAl3Pt2

P6/mmm

Al-Pr-Pt

6

# generated using pymatgen data_PrAl3Pt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.19095621 _cell_length_b 5.52664707 _cell_length_c 5.52664707 _cell_angle_alpha 120.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...

0.028514

null

0.000122

6,647.307872

126.062988

[ 0, 0, 0, 2.4947490618441344, 0, 4.498516408992805, 5.539455698242733e-16, 0, 3.4160549309236234, 3.7421235916963207, 3.1337768514467452, 8.455802078501984, 1.2473745298521857, 3.1337768514467452, 7.373340600432803, 0.8378898868935037, 2.105029298553455, 4.901024963358665, 1.65685...

[ 4.989498123688269, 0, 2.1649229561383634, 2.4947490597043713, 6.2675537028934905, 1.0824614771711112, 0, 0, 6.832109861847247 ]

[ 59, 13, 13, 13, 13, 78, 78, 78, 78, 78, 78, 78, 78 ]

[ 1, 1, 1 ]

alex<agm003671801>

Pr(AlPt2)4

I4/mmm

Al-Pr-Pt

13

# generated using pymatgen data_Pr(AlPt2)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.43893215 _cell_length_b 6.83210986 _cell_length_c 6.83210986 _cell_angle_alpha 80.88379314 _cell_angle_beta 66.54417411 _cell_angle_gamma 66.54417411 _symmetry_Int_Tables_number 1 _chemical_formula_structura...

0.062634

null

-0.000016

8,149.658892

179.495605

[ 2.6305785, 2.6305785, 3.2215295399308456e-16, -1.6107647699654228e-16, 2.6305785, 2.6305785, 2.6305785, 0, 2.6305785, 0, 0, 0, 2.6305785, 2.6305785, 2.6305785000000004 ]

[ 5.261157, 0, 3.2215295399308456e-16, -3.2215295399308456e-16, 5.261157, 3.2215295399308456e-16, 0, 0, 5.261157 ]

[ 38, 38, 38, 83, 7 ]

[ 1, 1, 1 ]

mp-570008

Sr3BiN

Pm-3m

Bi-N-Sr

5

# generated using pymatgen data_Sr3BiN _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.26115700 _cell_length_b 5.26115700 _cell_length_c 5.26115700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...

0

0.2569

null

-0

4,218.334842

43.554169

[ 4.8163211475, 1.9647429068895554, 3.6932088270086055e-8, 1.6054403825, 0.9823714214606513, 1.7015172138735044, 1.6054403825, 0.9823714214606507, 5.684900492262316, 1.6054403824999999, 4.432082533555501, 3.6932088530679095, 4.8163211475, 5.414454018984406, -1.991691602262319, 4.81632114...

[ 6.42176153, 0, 3.932194851301055e-16, -3.9169259001726983e-16, 6.396825440445057, -3.6932088900000024, 0, 0, 7.3864177799999995 ]

[ 38, 38, 38, 38, 38, 38, 83, 83, 7, 7 ]

[ 1, 1, 1 ]

alex<agm002164903>

Sr3BiN

P6_3/mmc

Bi-N-Sr

10

# generated using pymatgen data_Sr3BiN _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.42176153 _cell_length_b 7.38641778 _cell_length_c 7.38641778 _cell_angle_alpha 120.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...

0.007496

null

0.000012

4,218.334842

35.74752

[ 3.833107979610136, 4.160916137319991, 4.004699849359997, 0.7278410323203256, 0.7900861423406367, 2.543660949942961, 2.483840497831011, 3.019113837377559e-20, -0.7107240583513835, -0.20336599186578042, 2.4755011398303135, -0.7107240574485526, 2.9185729331747896, 3.168169925525686, 0.80858...

[ 4.967680995662022, 0, -1.4214481167027673, -0.4067319837315609, 4.951002279660627, -1.4214481148971054, 0, 0, 9.39125703090283 ]

[ 38, 38, 38, 38, 83, 83, 7 ]

[ 1, 1, 1 ]

alex<agm001074297>

Sr4Bi2N

I4/mmm

Bi-N-Sr

7

# generated using pymatgen data_Sr4Bi2N _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.16704647 _cell_length_b 5.16704647 _cell_length_c 9.39125703 _cell_angle_alpha 105.96790014 _cell_angle_beta 105.96790014 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...

0.042918

null

-0.000002

4,557.760297

34.158695

[ 3.1586813694159717, 3.4466463864837302, 0.7740922592334946, 1.7635676427756413, 1.924345425324165, 5.978149386760165, 0, 0, 0, 4.153571109649704, 4.532236515058316, 4.146573995341169, 0.7686779025419094, 0.8387552967495776, 2.6056676506524905, 2.695723450756044, 8.969788776293254e-18...

[ 5.391446901512088, 0, -1.5904890793670519, -0.46919788932047396, 5.370991811807895, -1.5904890762152089, 0, 0, 9.93321980157592 ]

[ 55, 55, 32, 35, 35, 35, 35 ]

[ 1, 1, 1 ]

alex<agm001074679>

Cs2GeBr4

I4/mmm

Br-Cs-Ge

7

# generated using pymatgen data_Cs2GeBr4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.62115248 _cell_length_b 5.62115248 _cell_length_c 9.93321980 _cell_angle_alpha 106.43617889 _cell_angle_beta 106.43617889 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...

0.016701

null

0.000027

5,984.546252

12.305463

[ 1.8864921849999998, 4.753508574116338, 8.173228504748458, 5.659476555, 2.9490878583221494, -0.22884838224126344, 5.659476555, 5.885520350705802, 3.9990992431734975, 1.8864921849999998, 1.8170760817326845, 3.9452808793336964, 1.886492185, 0.3086773156019345, 8.694906435127585, 5.6594765...

[ 7.54596874, 0, 4.620573231953493e-16, -4.716480033054808e-16, 7.702596432438487, -2.6518411374928057, 0, 0, 10.59622126 ]

[ 55, 55, 55, 55, 32, 32, 35, 35, 35, 35, 35, 35, 35, 35 ]

[ 1, 1, 1 ]

alex<agm003440199>

Cs2GeBr4

P2_1/m

Br-Cs-Ge

14

# generated using pymatgen data_Cs2GeBr4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.54596874 _cell_length_b 8.14630304 _cell_length_c 10.59622126 _cell_angle_alpha 108.99750281 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...

0.035037

null

0

5,984.546252

10.853109

[ 2.395128242179218, 3.23014237596955, 1.8861646236393685, 4.900565002179218, 1.610911802645051, 0.9406535379234513, 2.4468483239770444, 0.004434163574902044, 1.8594446692019992, 2.4468483239770444, 1.6215719975885277, -0.9099771405189767, 4.952285083977045, 4.836620015039699, 0.9673734923...

[ 5.01087352, 0, 3.0682751086001153e-16, -2.964290752169645e-16, 4.841054178614601, -2.7318532284371804, 0, 0, 5.55867139 ]

[ 3, 3, 24, 24, 24, 24, 7, 7, 7, 7, 7, 7 ]

[ 1, 1, 1 ]

mp-1872311

LiCr2N3

Cmc2_1

Cr-Li-N

12

# generated using pymatgen data_LiCr2N3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01087352 _cell_length_b 5.55867139 _cell_length_c 5.55867139 _cell_angle_alpha 119.43645331 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...

0.02614

null

3,115.527877

123.037193

[ 4.110973737984592, 5.557116065147343, 0.5457236774009881, 2.02964919285053, 1.9708336450635908, 3.4633709107054806, 3.5765916873573813, 4.7034716832720567e-17, -0.9813363715794325, -0.7508287271665985, 5.582087403528568, -2.736480438293645, -0.26173171671304235, 1.9458623066823646, -0.95...

[ 7.153183374714763, 0, -1.9626727431588653, -1.012560443879641, 7.527949710210932, -3.6903913595886615, 0, 0, 9.662158690853996 ]

[ 55, 55, 32, 32, 32, 35, 35, 35, 35, 35, 35, 35, 35 ]

[ 1, 1, 1 ]

alex<agm003353596>

Cs2Ge3Br8

C2/m

Br-Cs-Ge

13

# generated using pymatgen data_Cs2Ge3Br8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.41755463 _cell_length_b 8.44477909 _cell_length_c 9.66215869 _cell_angle_alpha 115.91279813 _cell_angle_beta 105.34308828 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...

0.054533

null

0.000043

5,716.675236

7.244922

[ 2.7908735, 2.7850755932948346, -0.5445162179731105, 2.7908734999999996, 3.8014556772652006, 4.654034700445328, 2.7908735, 1.7686955093244687, 9.046472103608451, -3.0681064869490036e-16, 5.010598139945556, 10.838521279969347, -3.426274237629312e-17, 0.5595530466441128, 2.8619855240844303,...

[ 5.581747, 0, 3.4178342986001705e-16, -3.410733910711935e-16, 5.570151186589669, -1.0890324359462213, 0, 0, 14.78953924 ]

[ 55, 55, 55, 32, 32, 35, 35, 35, 35, 35, 35, 35 ]

[ 1, 1, 1 ]

alex<agm003350065>

Cs3Ge2Br7

Cmmm

Br-Cs-Ge

12

# generated using pymatgen data_Cs3Ge2Br7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.58174700 _cell_length_b 5.67561238 _cell_length_c 14.78953924 _cell_angle_alpha 101.06247738 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...

0.039215

null

0.000081

5,916.38651

12.714494

[ 4.153884690398136, 1.1191358628027896, 3.127304262245976, 8.564169865398135, 3.27761376100446, 0.5382797244438958, 3.5190762690276536, 6.377520528762568, 3.577607847231476, 7.929361444027655, 4.666546688015328, 5.629865718819001, 8.564169865398135, 9.924931353975104, 6.080169303804501, ...

[ 8.82057035, 0, 5.401041622890775e-16, -6.762540783297634e-16, 11.044067216777895, -2.019764213949523, 0, 0, 11.22723778 ]

[ 55, 55, 55, 55, 55, 55, 32, 32, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35 ]

[ 1, 1, 1 ]

alex<agm003573243>

Cs3GeBr6

Cmc2_1

Br-Cs-Ge

20

# generated using pymatgen data_Cs3GeBr6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.82057035 _cell_length_b 11.22723778 _cell_length_c 11.22723778 _cell_angle_alpha 100.36385285 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...

0.099755

null

0.001849

6,140.576737

10.660777

[ 2.6179398802574685, 6.492600042779672, 1.906562557820765, 3.0481761514768198, 2.495031495641832, 6.093101451999006, -0.3695181616861404, 7.037617029622151, 6.7579299549309955, 6.035634193420429, 1.9500145087993521, 1.241734054888775, 0.9718367322911102, 8.083434822056486, 4.9227925455027...

[ 6.633405281333884, 0, -0.6816923539624795, -0.9672892495995957, 8.987631538421503, -0.36556619621775027, 0, 0, 9.04692256 ]

[ 55, 55, 32, 32, 35, 35, 35, 35, 35, 35, 35 ]

[ 1, 1, 1 ]

alex<agm003317516>

Cs2Ge2Br7

C2/m

Br-Cs-Ge

11

# generated using pymatgen data_Cs2Ge2Br7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.66834088 _cell_length_b 9.04692256 _cell_length_c 9.04692256 _cell_angle_alpha 92.31582664 _cell_angle_beta 95.86749351 _cell_angle_gamma 95.86749351 _symmetry_Int_Tables_number 1 _chemical_formula_structural...

0.094143

null

0.001767

5,904.935075

5.132896

[ 5.842916347356283, 5.58833601832894, 4.051788381652335, 0.6218148048563255, 2.875456558294356, -2.2499465427670273, 1.0422320303988273, 7.107352846606004, 5.494128492479684, 5.422499121813782, 1.3564397300172921, -3.692286653594378, 1.6161827880531523, 2.115948144155824, 3.15086746218004...

[ 8.772873224174377, 0, -4.4998930853096555, -2.308142071961768, 8.463792576623296, -4.499893085639911, 0, 0, 10.801628009834873 ]

[ 55, 55, 55, 55, 55, 55, 32, 32, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35 ]

[ 1, 1, 1 ]

alex<agm003565904>

Cs3GeBr5

I4/mcm

Br-Cs-Ge

18

# generated using pymatgen data_Cs3GeBr5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.85963196 _cell_length_b 9.85963196 _cell_length_c 10.80162801 _cell_angle_alpha 117.15476848 _cell_angle_beta 117.15476848 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...

0.057142

null

-0

6,070.898698

7.59083

[ 2.42469857831709, 1.5410116988919704, 3.8034048218128644, 0.2882214066248435, 4.734878432989204, -0.46650094960362837, -0.11262422318758283, 0.1683644293785973, 0.1822880114188558, 0.5120812815287134, 4.852403977609131, 3.3733488389537856, 3.665134357829442, 4.852403913731796, -2.4064815...

[ 6.9110588288917585, 0, -3.4579965485400312, -4.272954343384492, 6.387733468194468, -0.8119092228329876, 0, 0, 7.72790232 ]

[ 55, 55, 32, 35, 35, 35, 35, 35 ]

[ 1, 1, 1 ]

alex<agm003468143>

Cs2GeBr5

I4mm

Br-Cs-Ge

8

# generated using pymatgen data_Cs2GeBr5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.72790232 _cell_length_b 7.72790232 _cell_length_c 7.72790232 _cell_angle_alpha 96.03074126 _cell_angle_beta 116.58141176 _cell_angle_gamma 116.58141176 _symmetry_Int_Tables_number 1 _chemical_formula_structura...

0.057683

null

0.002336

6,083.667255

10.050407

[ 0, 0, 0, 3.1746152204200793, 2.422006362884552, 4.7868077065918815, 0.17899777750512352, 4.608854748376855, 0.8107534319720329, 3.696161802981072, 3.515430555630703, 7.149103414293725, 2.0122105471983676, 6.3486984912593245, -0.47819375553501653, 1.3414024507268358, 0.682162620002082...

[ 4.03871060803694, 0, -0.8916647096185442, -0.6850976101117365, 7.030861111261406, -3.1030845514596166, 0, 0, 9.592310399642077 ]

[ 55, 32, 32, 35, 35, 35, 35, 35 ]

[ 1, 1, 1 ]

alex<agm003474966>

CsGe2Br5

Immm

Br-Cs-Ge

8

# generated using pymatgen data_CsGe2Br5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.13597018 _cell_length_b 7.71566591 _cell_length_c 9.59231040 _cell_angle_alpha 113.71451580 _cell_angle_beta 102.45001448 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...

0.099316

null

0.000013

5,651.648073

9.934911

[ 3.0518412120650003, 0.24277549164999998, 2.21044175, 6.156555712065, 2.9142530083500002, 6.6313252500000015, 0.05287328793499979, 3.39980399165, 2.21044175, 3.157587787935, 6.07128150835, 6.6313252500000015, 0, 0, 0, 3.1047145, 3.1570285, 3.8342117610166724e-16, 3.1047145, 3.15...

[ 6.209429, 0, 3.8021786746913753e-16, -3.8662448473419696e-16, 6.314057, 3.8662448473419696e-16, 0, 0, 8.841767 ]

[ 19, 19, 19, 19, 20, 20, 20, 20, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9 ]

[ 1, 1, 1 ]

mp-5926

KCaF3

Pnma

Ca-F-K

20

# generated using pymatgen data_KCaF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.20942900 _cell_length_b 6.31405700 _cell_length_c 8.84176700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K...

0

6.6502

null

-0.000001

3,136.614815

37.582939

[ 6.242372662366943, 2.9465314955828976, 6.65557425, 0.025306337136931457, 3.3259675051342814, 2.21852475, 3.1377399503850456, 6.118622055231585, 6.65557425, 3.1299390491188293, 0.15387694548559386, 2.21852475, 0, 0, 4.4370495, 0, 0, 0, 3.133839499751937, 3.1362495003585895, 4....

[ 6.224743, 0, 3.8115557952324464e-16, 0.042935999503874535, 6.272499000717179, 3.8408878924260544e-16, 0, 0, 8.874099 ]

[ 19, 19, 19, 19, 20, 20, 20, 20, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9 ]

[ 1, 1, 1 ]

mp-643749

KCaF3

P2_1/m

Ca-F-K

20

# generated using pymatgen data_KCaF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.22474300 _cell_length_b 6.27264595 _cell_length_c 8.87409900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 89.60780972 _symmetry_Int_Tables_number 1 _chemical_formula_structural K...

0.002027

6.8058

null

-0.000001

3,136.614815

37.107529

[ 2.255052275, 3.10257683, 3.2806016672284744e-16, 2.255052275, 0, 3.10257683, -1.8997803919841207e-16, 3.10257683, 3.10257683, 0, 0, 0, 2.255052275, 3.10257683, 3.1025768300000003, 2.255052275, 0, 1.3808212752443536e-16, -3.090174312580823e-16, 5.0466376341853385, 4.2610928558...

[ 4.51010455, 0, 2.7616425504887073e-16, -3.7995607839682414e-16, 6.20515366, 3.7995607839682414e-16, 0, 0, 6.20515366 ]

[ 19, 19, 20, 20, 9, 9, 9, 9, 9, 9 ]

[ 1, 1, 1 ]

alex<agm003710553>

KCaF3

P4/mbm

Ca-F-K

10

# generated using pymatgen data_KCaF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51010455 _cell_length_b 6.20515366 _cell_length_c 6.20515366 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K...

0.007545

null

0.000065

3,136.614815

39.14053

[ 2.9896031902598117, 2.1139686888896496, 5.178144619999999, 0, 0, 0, 4.484404785389717, 3.1709530333344746, 7.767216929999998, 1.4948015951299058, 1.0569843444448248, 2.5890723099999997 ]

[ 4.484404785389718, 0, 2.5890723099999993, 1.4948015951299052, 4.227937377779299, 2.5890723099999993, 0, 0, 5.178144619999999 ]

[ 58, 12, 12, 48 ]

[ 1, 1, 1 ]

alex<agm003618736>

CeMg2Cd

F-43m

Cd-Ce-Mg

4

# generated using pymatgen data_CeMg2Cd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.17814462 _cell_length_b 5.17814462 _cell_length_c 5.17814462 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...

0.050507

null

-0

2,008.384556

43.608383

[ 1.8587391281607333, 1.3182783794643702, 3.193939544577822, 5.4778912463720415, 3.885099036084278, 9.412861228136473, 0.04169588963870047, 0.0295720841028513, 0.07164757482411122, 3.6608480078500087, 2.5963927407227603, 6.290569258382761, 5.734830233337638, 3.5054297607804568, 6.264694620...

[ 5.439624999165237, 0, 3.090736433558651, 1.7986792372573799, 5.133641313239815, 3.090736433558651, 0, 0, 6.2563705 ]

[ 19, 19, 20, 20, 9, 9, 9, 9, 9, 9 ]

[ 1, 1, 1 ]

alex<agm002147678>

KCaF3

R-3c

Ca-F-K

10

# generated using pymatgen data_KCaF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.25637050 _cell_length_b 6.25637050 _cell_length_c 6.25637050 _cell_angle_alpha 60.39522748 _cell_angle_beta 60.39522748 _cell_angle_gamma 60.39522748 _symmetry_Int_Tables_number 1 _chemical_formula_structural K...

0.005282

null

0.000009

3,136.614815

37.771423

[ 4.073449306619297, 1.2152677717263038, 0.25499104255995086, 1.984588792362311, 2.7086154103617317, 3.2029682757798295, -0.0688490414886853, 4.250308791144466, 0.2549910425599516, 0.23396492784167447, 0.31932106614478784, 0.008744866015469302, 3.531303837136312, 4.819610001199045, -4.1221...

[ 5.7941726867385785, 0, -2.989087398965352, -1.7461901932249817, 5.52478569112253, -2.9890873989653515, 0, 0, 6.65060369 ]

[ 19, 19, 19, 20, 9, 9, 9, 9, 9, 9, 9 ]

[ 1, 1, 1 ]

alex<agm002210866>

K3CaF7

Cm

Ca-F-K

11

# generated using pymatgen data_K3CaF7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.51974544 _cell_length_b 6.51974544 _cell_length_c 6.65060369 _cell_angle_alpha 117.28822272 _cell_angle_beta 117.28822272 _cell_angle_gamma 91.59489846 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...

0.053752

null

0.009394

3,802.579433

35.756054

[ 1.3224685247235959, 1.3737249156827867, 6.78344522796021, 2.9010558771730968, 3.0134953428049323, 3.192657923305044, 2.111762200948346, 2.1936101292438597, -0.8559302444662854, 0.4243687085038908, 0.44081644092797145, 2.1767488879918844, 3.7991556933928012, 3.9464038175597476, 7.79935426...

[ 4.390392530059744, 0, -0.8559302446641094, -0.16686812816305174, 4.387220258487719, -0.8559302442684614, 0, 0, 11.687963640197824 ]

[ 19, 19, 19, 20, 20, 9, 9, 9, 9, 9, 9, 9 ]

[ 1, 1, 1 ]

alex<agm003351811>

K3Ca2F7

I4/mmm

Ca-F-K

12

# generated using pymatgen data_K3Ca2F7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47304853 _cell_length_b 4.47304853 _cell_length_c 11.68796364 _cell_angle_alpha 101.03174107 _cell_angle_beta 101.03174107 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...

0.025592

null

-0.000056

3,523.306778

33.741131

[ 2.9183156487138096, 4.381680038355198, -0.5850938700393049, 1.6572146728899597, 1.7233526933286913, 2.4565207030223966, 2.8625998391359544, 2.574866429626933e-18, -0.9383278705642688, 4.873488070863303, 4.5228023266219655, 2.780420194319288, 5.427241929012376, 1.5822304050619238, 4.46978...

[ 5.725199678271909, 0, -1.8766557411285376, -1.1496693566681395, 6.105032731683889, -3.5073489967623614, 0, 0, 7.2554315708739905 ]

[ 19, 19, 20, 20, 20, 9, 9, 9, 9, 9, 9, 9, 9 ]

[ 1, 1, 1 ]

alex<agm003354149>

K2Ca3F8

C2/m

Ca-F-K

13

# generated using pymatgen data_K2Ca3F8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.02492723 _cell_length_b 7.13404943 _cell_length_c 7.25543157 _cell_angle_alpha 119.44810771 _cell_angle_beta 108.14855898 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...

0.039985

null

-0

2,771.969025

38.137135

[ 3.3390225587042295, 1.129785717741272, 1.2844431903456628, 1.1853249757812558, 2.2595714354825436, -1.5722074148248233, 0, 0, 0, -0.9683726071417187, 3.3893571532238163, 1.284443190004691, 1.9902406932735623, 0.39984020379437835, 3.0734587709475254, 4.912396311245282, 0.7349572433907...

[ 5.492720141627204, 0, -1.5722074144838516, -3.1220701900646928, 4.519142870965088, -1.5722074151657952, 0, 0, 5.713301210000001 ]

[ 69, 69, 15, 15, 8, 8, 8, 8, 8, 8, 8, 8 ]

[ 1, 1, 1 ]

mp-5884

TmPO4

I4_1/amd

O-P-Tm

12

# generated using pymatgen data_TmPO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.71330121 _cell_length_b 5.71330121 _cell_length_c 5.71330121 _cell_angle_alpha 105.97296229 _cell_angle_beta 105.97296229 _cell_angle_gamma 116.72011330 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...

0

5.9394

null

0

2,704.228758

124.154831

[ 3.174463690828268, 1.1027703185443356, 1.4890334515261594, 0, 0, 0, 0.5902547894752779, 3.308310955633007, 1.4890334503430493, 1.8823592401517728, 2.205540637088671, 4.748620300343049, -0.09169588167615621, 1.9048294190141464, 1.4438349479995316, 0.713556325325902, 4.057229142441424,...

[ 4.466568141504763, 0, -1.7705533972907321, -0.7018496612012175, 4.411081274177342, -1.7705533996569507, 0, 0, 6.519173698816891 ]

[ 69, 69, 15, 15, 8, 8, 8, 8, 8, 8, 8, 8 ]

[ 1, 1, 1 ]

alex<agm002301447>

TmPO4

I4_1/a

O-P-Tm

12

# generated using pymatgen data_TmPO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80469461 _cell_length_b 4.80469461 _cell_length_c 6.51917370 _cell_angle_alpha 111.62343873 _cell_angle_beta 111.62343873 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...

0.094916

null

0.000021

2,704.228758

123.63356

[ 3.5315287499999997, 3.7780615976220004, 1.6467293280320006, 3.53152875, 0.07551709762200001, 2.3632676719680004, 1.1771762499999996, 7.329571902378, 5.656726328032001, 1.1771762499999998, 3.6270274023780003, 6.373264671968001, 3.53152875, 1.42059227376, 7.319760303866, 3.53152874999999...

[ 4.708705, 0, 2.883250253189569e-16, -4.534309270625638e-16, 7.405089, 4.534309270625638e-16, 0, 0, 8.019994 ]

[ 62, 62, 62, 62, 50, 50, 50, 50, 46, 46, 46, 46 ]

[ 1, 1, 1 ]

mp-571581

SmSnPd

Pnma

Pd-Sm-Sn

12

# generated using pymatgen data_SmSnPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70870500 _cell_length_b 7.40508900 _cell_length_c 8.01999400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...

0

null

-0

4,014.519694

69.471497

[ 0, 0, 3.62146723, 0, 0, 0, 2.3668565050000008, 1.3665052402949665, 5.4322008450000006, 4.909512422527722e-16, 2.733010480589934, 1.8107336150000006, 2.3668565050000008, 1.3665052402949665, 1.8107336150000009, 4.909512422527722e-16, 2.733010480589934, 5.4322008450000006 ]

[ 4.733713010000001, 0, 1.3409517594228651e-15, -2.3668565049999994, 4.0995157208849005, 2.898563242889341e-16, 0, 0, 7.24293446 ]

[ 62, 62, 50, 50, 46, 46 ]

[ 1, 1, 1 ]

alex<agm002379307>

SmSnPd

P6_3/mmc

Pd-Sm-Sn

6

# generated using pymatgen data_SmSnPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73371301 _cell_length_b 4.73371301 _cell_length_c 7.24293446 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...

0.081617

null

-0.000001

4,014.519694

61.781269

[ 1.9343812299691257e-33, 4.4246659350489987e-16, 4.507759872951891, -1.6617624119854167e-16, 2.713863969827709, 1.5668500935240532, -2.3904092516852536e-16, 3.903834564136452, -2.2538799364759474, 2.0442234999999997, 4.935868488773312, 2.849725000677861, 2.0442234999999997, 3.57722440375131...

[ 4.088447, 0, 2.5034517660167996e-16, -4.052171663670671e-16, 6.617698533964161, -3.8207300300000027, 0, 0, 7.64146006 ]

[ 62, 62, 62, 50, 50, 50, 46, 46, 46 ]

[ 1, 1, 1 ]

alex<agm002179888>

SmSnPd

P-62m

Pd-Sm-Sn

9

# generated using pymatgen data_SmSnPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.08844700 _cell_length_b 7.64146006 _cell_length_c 7.64146006 _cell_angle_alpha 120.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...

0.013329

null

-0.000047

4,014.519694

83.083145

[ -1.893467624686456, 5.822671186821921, -3.4376943575046797, -0.2696543975288915, 3.126906975352875, 2.5132900837064533, 1.1361843380097003, 5.0920819768443835, -2.123120056449856, 4.433550697489633, 2.6670469403124915, -4.492186275881784, 6.03302028546689, 0.05342818057247124, 0.23966569...

[ 6.105326404611133, 0, -3.3603507115535307, -1.928074313179459, 5.83924114302106, -3.4313955639413947, 0, 0, 7.19063888 ]

[ 62, 50, 50, 50, 50, 50, 50, 46, 46, 46, 46 ]

[ 1, 1, 1 ]

alex<agm002307128>

Sm(Sn3Pd2)2

Fmm2

Pd-Sm-Sn

11

# generated using pymatgen data_Sm(Sn3Pd2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.96900046 _cell_length_b 7.04192326 _cell_length_c 7.19063888 _cell_angle_alpha 119.16202717 _cell_angle_beta 118.82823557 _cell_angle_gamma 90.28117329 _symmetry_Int_Tables_number 1 _chemical_formula_struct...

0.090181

null

-0

3,889.755492

67.270271

[ 3.9530461927089977, 1.7761539475, 5.856011649935141, 0.5496581294174684, 5.3284618425, 2.0833863809956377, 3.4756490832265703, 5.3284618425, 4.046518470462915, 1.027055238899896, 1.7761539475, 3.892879560467864, 2.251352161063233, 3.552307895, -0.5939724045346111, 2.251352161063233, ...

[ 4.502704322126466, 0, -1.1879448090692226, -4.350322493197622e-16, 7.10461579, 4.350322493197622e-16, 0, 0, 9.12734284 ]

[ 58, 58, 12, 12, 48, 48, 48, 48, 48, 48, 48, 48 ]

[ 1, 1, 1 ]

alex<agm003748293>

CeMgCd4

Cmcm

Cd-Ce-Mg

12

# generated using pymatgen data_CeMgCd4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65677561 _cell_length_b 7.10461579 _cell_length_c 9.12734284 _cell_angle_alpha 90.00000000 _cell_angle_beta 104.77952789 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...

0.09143

null

0.001298

1,679.055637

45.928493

[ 0.4491732840458831, 3.4262600625, 7.134069474283367, 3.7805589448512653, 1.1420866875, 2.11412239506948, 3.1591974492018857, 3.4262600625, 9.40716413810677, 1.070534779695263, 1.1420866875, -0.15897226875392353, 1.9403639855319375, 3.4262600625, 3.832231001467739, 2.289368243365211, ...

[ 4.229732228897149, 0, -0.916115270647154, -2.7973056123913567e-16, 4.56834675, 2.7973056123913567e-16, 0, 0, 10.16430714 ]

[ 62, 62, 50, 50, 50, 50, 46, 46 ]

[ 1, 1, 1 ]

alex<agm002179867>

SmSn2Pd

Cmcm

Pd-Sm-Sn

8

# generated using pymatgen data_SmSn2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.32780567 _cell_length_b 4.56834675 _cell_length_c 10.16430714 _cell_angle_alpha 90.00000000 _cell_angle_beta 102.22089542 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...

0.047878

null

-0

3,434.536625

61.938622

[ -1.3782474320049685e-16, 2.25084887, 2.2321111271601493, 2.25084887, 0, 7.341035402839852, 2.25084887, 0, 1.6246811945006459, -1.3782474320049685e-16, 2.25084887, 7.948465335499356, 0, 0, 4.786573265, 2.25084887, 2.25084887, 4.786573265, 2.25084887, 2.25084887, 2.756494864009...

[ 4.50169774, 0, 2.756494864009937e-16, -2.756494864009937e-16, 4.50169774, 2.756494864009937e-16, 0, 0, 9.57314653 ]

[ 62, 62, 50, 50, 50, 50, 46, 46 ]

[ 1, 1, 1 ]

alex<agm003628453>

SmSn2Pd

P4/nmm

Pd-Sm-Sn

8

# generated using pymatgen data_SmSn2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50169774 _cell_length_b 4.50169774 _cell_length_c 9.57314653 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...

0.0453

null

0

3,434.536625

54.555336

[ 4.274269072529342, 3.465109301816518, 7.225416187663441, 1.255848250042803, 1.4536411141050332, 2.798396908491104, 0, 0, 0, 3.072941337263449, 3.561642582416716, 4.301158516568444, 2.4571759853086963, 1.3571078335048357, 5.722654579586103 ]

[ 4.156223768600051, 0, 1.8003979456979526, 1.373893553972094, 4.918750415921552, 2.5258889904565938, 0, 0, 5.69752616 ]

[ 62, 62, 50, 46, 46 ]

[ 1, 1, 1 ]

alex<agm002234204>

Sm2SnPd2

Immm

Pd-Sm-Sn

5

# generated using pymatgen data_Sm2SnPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52941815 _cell_length_b 5.69752616 _cell_length_c 5.69752616 _cell_angle_alpha 63.68340501 _cell_angle_beta 66.57864680 _cell_angle_gamma 66.57864680 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...

0.044857

null

0

4,467.85076

69.623848

[ 0.8918203492216202, 3.4251928936135405, 6.149250192065242, 3.7083250584215484, 1.487365682284149, 5.038835320492942, 1.9246844144347242, 1.487365682284149, 0.849255785492942, -0.891820294765204, 3.4251928936135405, 1.9596706570652418, 1.071818071815985, 0, 6.2843693025, 4.5611914581840...

[ 5.63300953, 0, 3.4492235452405183e-16, -2.8165047663436553, 4.912558575897689, -1.3806530924418163, 0, 0, 8.37915907 ]

[ 62, 62, 62, 62, 50, 50, 46, 46, 46, 46 ]

[ 1, 1, 1 ]

alex<agm002307075>

Sm2SnPd2

C2/c

Pd-Sm-Sn

10

# generated using pymatgen data_Sm2SnPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.63300953 _cell_length_b 5.82856190 _cell_length_c 8.37915907 _cell_angle_alpha 103.70229982 _cell_angle_beta 90.00000000 _cell_angle_gamma 118.89622145 _symmetry_Int_Tables_number 1 _chemical_formula_structura...

0.048175

null

-0.000064

4,467.85076

67.101173

[ 1.8274982399999997, 2.6434130147001045, 1.2372511980661909, 1.82749824, 1.545545871237082, 5.22716232385452, 0, 0, 0, -4.912495868034483e-17, 0.802271458424544, 2.7133476144728284, -2.0737479589079705e-16, 3.386687427512642, 3.7510659074478823 ]

[ 3.65499648, 0, 2.2380398700634217e-16, -2.564997545711419e-16, 4.188958885937186, -1.2385741280792892, 0, 0, 7.70298765 ]

[ 62, 62, 50, 46, 46 ]

[ 1, 1, 1 ]

alex<agm002307076>

Sm2SnPd2

Cmmm

Pd-Sm-Sn

5

# generated using pymatgen data_Sm2SnPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.65499648 _cell_length_b 4.36823104 _cell_length_c 7.70298765 _cell_angle_alpha 106.47167780 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...

0.039917

null

0

4,467.85076

74.780106

[ 1.9361931699999997, 2.509836272874354, 6.385621622874354, 1.9361931699999995, 6.385621622874354, 5.241734427125647, 1.93619317, 1.365949077125646, 2.509836272874354, 1.9361931699999997, 5.241734427125646, 1.3659490771256464, 0, 0, 0, -2.373234061529852e-16, 3.87578535, 3.8757853500...

[ 3.87238634, 0, 2.3711527681714667e-16, -4.746468123059704e-16, 7.7515707, 4.746468123059704e-16, 0, 0, 7.7515707 ]

[ 62, 62, 62, 62, 50, 50, 46, 46, 46, 46 ]

[ 1, 1, 1 ]

alex<agm002234203>

Sm2SnPd2

P4/mbm

Pd-Sm-Sn

10

# generated using pymatgen data_Sm2SnPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.87238634 _cell_length_b 7.75157070 _cell_length_c 7.75157070 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...

0.025056

null

0.000085

4,467.85076

80.152702

[ 5.201122130876526, 4.44423490228691, 5.018935393106538, 0.6040912601477241, 3.09327456771309, 1.6060108025632858, 3.50669795565985, 0.6754801672869101, 0.5142128303981971, 2.2985154353644006, 6.86202930271309, 6.110733365271627, 0, 0, 0, 2.902606695512125, 3.768754735, -1.091797972...

[ 5.8052133910242505, 0, -2.1835959443301767, -4.615393422989181e-16, 7.53750947, 4.615393422989181e-16, 0, 0, 8.80854214 ]

[ 62, 62, 62, 62, 50, 50, 50, 50, 50, 50, 46, 46, 46, 46, 46, 46, 46, 46 ]

[ 1, 1, 1 ]

alex<agm003334830>

Sm2Sn3Pd4

Cmce

Pd-Sm-Sn

18

# generated using pymatgen data_Sm2Sn3Pd4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.20230552 _cell_length_b 7.53750947 _cell_length_c 8.80854214 _cell_angle_alpha 90.00000000 _cell_angle_beta 110.61348682 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...

0.038552

null

-0

4,533.343187

88.420624

[ -1.3931521948790962e-16, 2.275190195, 8.300508512735231, 2.275190195, 0, 2.598742687264768, -1.3931521948790962e-16, 2.275190195, 1.3988036864348161, 2.275190195, 2.275190195, 5.4496256, 2.275190195, 0, 9.500447513565184, 0, 0, 5.4496256, 2.275190195, 0, 6.9034396601139205, ...

[ 4.55038039, 0, 2.7863043897581925e-16, -2.7863043897581925e-16, 4.55038039, 2.7863043897581925e-16, 0, 0, 10.8992512 ]

[ 62, 62, 50, 50, 50, 50, 46, 46, 46, 46 ]

[ 1, 1, 1 ]

alex<agm002234173>

Sm(SnPd)2

P4/nmm

Pd-Sm-Sn

10

# generated using pymatgen data_Sm(SnPd)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55038039 _cell_length_b 4.55038039 _cell_length_c 10.89925120 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...

0.034404

null

0.000227

4,243.461756

77.699768

[ 0, 0, 0, 1.3799325002245921, 1.7367691231214568, 3.088666809612963, 2.068275937241006, 2.603111228491706, -0.19994764591819458, 0.13067499520930068, 3.4359833954118524, 1.4443595818473838, 3.317533442256298, 0.9038969562013102, 1.444359581847384 ]

[ 4.455169032227835, 0, -1.5054693381526159, -1.0069605947622369, 4.3398803516131625, -1.505469338152616, 0, 0, 5.89965784 ]

[ 62, 50, 50, 46, 46 ]

[ 1, 1, 1 ]

alex<agm002307041>

Sm(SnPd)2

C2/m

Pd-Sm-Sn

5

# generated using pymatgen data_Sm(SnPd)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70265553 _cell_length_b 4.70265553 _cell_length_c 5.89965784 _cell_angle_alpha 108.67089267 _cell_angle_beta 108.67089267 _cell_angle_gamma 95.76063931 _symmetry_Int_Tables_number 1 _chemical_formula_structur...

0.066472

null

-0

4,243.461756

70.584343

[ 2.0094568984406065, 0, 7.091952232349804, 0.4097957001386361, 4.208945713447744, 1.4462870708106035, 2.948995347646325, 2.0895421024017664, 2.7465357499452088, 2.0880522137371123, 2.942856129917927, -0.2919806466530845, 1.2365923921483533, 0.5038783324343002, 4.364290684212713, 0.46529...

[ 4.018913796881213, 0, -1.138732156082282, -0.6601227490962516, 6.298487815849511, -2.329763333552851, 0, 0, 7.6613183103909455 ]

[ 62, 50, 50, 46, 46, 46, 46, 46, 46, 46, 46 ]

[ 1, 1, 1 ]

alex<agm003518962>

Sm(SnPd4)2

C2/m

Pd-Sm-Sn

11

# generated using pymatgen data_Sm(SnPd4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.17712569 _cell_length_b 6.74792620 _cell_length_c 7.66131831 _cell_angle_alpha 110.19743573 _cell_angle_beta 105.81972068 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...

0.083876

null

-0.000407

6,179.179108

131.699768

[ -2.3582923826722303e-15, 3.631493511918745, 3.6264766010488687, 3.1449656350000006, 1.8157467559593718, 5.254163038951133, 3.1449656350000006, 1.8157467559593718, 8.066796421048869, -2.3582923826722303e-15, 3.631493511918745, 0.8138432189511329, 0, 0, 4.44031982, 0, 0, 0, 1.64872...

[ 6.289931270000001, 0, 1.7817925136858682e-15, -3.1449656350000024, 5.447240267878116, 3.8514720983311733e-16, 0, 0, 8.88063964 ]

[ 58, 58, 58, 58, 12, 12, 48, 48, 48, 48, 48, 48 ]

[ 1, 1, 1 ]

alex<agm003412269>

Ce2MgCd3

P6_3/mmc

Cd-Ce-Mg

12

# generated using pymatgen data_Ce2MgCd3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.28993127 _cell_length_b 6.28993127 _cell_length_c 8.88063964 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...

0.047076

null

0.012032

2,055.681319

50.821465

[ -2.320038086717152e-16, 3.7889097302707246, 8.455051038993203, -5.1809198903111523e-17, 0.8461084279840212, 5.13285444270222, 2.291441215, 2.317509079127373, -0.38444586415228876, 2.2914412149999994, 4.232162032416234, 11.148143881620053, 2.291441215, 0.4028561258385115, 2.43976160007536...

[ 4.58288243, 0, 2.8062061493840717e-16, -2.8381300757482673e-16, 4.635018158254746, -0.7688917283045779, 0, 0, 14.35679721 ]

[ 62, 62, 62, 50, 50, 50, 50, 50, 50, 50, 46, 46 ]

[ 1, 1, 1 ]

alex<agm002307849>

Sm3Sn7Pd2

Cmmm

Pd-Sm-Sn

12

# generated using pymatgen data_Sm3Sn7Pd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58288243 _cell_length_b 4.69836012 _cell_length_c 14.35679721 _cell_angle_alpha 99.41888218 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...

0.047157

null

0.000169

2,963.843494

51.207909

[ 7.507354166299582, 7.288630912553983, 8.01712572146138, 3.260310211334034, 3.481015454434296, 9.823645910527143, 1.2159620557307464, 1.072307777788958, 5.975181469090675, 5.463006010696295, 4.879923235908644, 4.168661280024912, 3.8282039899477347, 0.6743242534094794, 8.36569125814222, ...

[ 6.153188981696244, 0, 2.3967533787598483, 2.570127240334085, 8.360938690342941, 2.4986309117922065, 0, 0, 9.0969229 ]

[ 62, 62, 62, 62, 50, 50, 50, 50, 50, 50, 50, 50, 50, 50, 46, 46, 46, 46, 46, 46 ]

[ 1, 1, 1 ]

alex<agm003346101>

Sm2Sn5Pd3

Ibam

Pd-Sm-Sn

20

# generated using pymatgen data_Sm2Sn5Pd3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.60349615 _cell_length_b 9.09692290 _cell_length_c 9.09692290 _cell_angle_alpha 74.05778762 _cell_angle_beta 68.71838890 _cell_angle_gamma 68.71838890 _symmetry_Int_Tables_number 1 _chemical_formula_structural...

0.026813

null

-0

3,655.444859

62.827919

[ 2.5878726927652824e-8, 3.710991626456686, 5.367244784864281, 0, 0, 0, 2.2626254185042414, 1.289867559011997, 3.4540029269509644, 2.9024891603724752e-9, 3.311669369869806, 1.7689303428222827, 2.2626254414804783, 1.6891898155988772, 7.052317368992963, 2.262625441904973, 2.1735283286222...

[ 4.52525088, 0, 2.7709170027653713e-16, -2.262625435617032, 5.000859185468683, -0.29776216818475504, 0, 0, 9.11900988 ]

[ 62, 62, 62, 50, 50, 46, 46, 46, 46 ]

[ 1, 1, 1 ]

alex<agm003342821>

Sm3(SnPd2)2

C2/m

Pd-Sm-Sn

9

# generated using pymatgen data_Sm3(SnPd2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52525088 _cell_length_b 5.49697451 _cell_length_c 9.11900988 _cell_angle_alpha 93.10513897 _cell_angle_beta 90.00000000 _cell_angle_gamma 114.30619290 _symmetry_Int_Tables_number 1 _chemical_formula_structu...

0.09553

null

-0

4,652.44395

75.955704

[ 2.13352113, 0, 1.306404911383872e-16, -2.4695955204470583e-16, 4.033155555, 4.033155555, -3.8706414625241324e-16, 6.321237217488378, 1.7450738925116214, -1.0685495783699845e-16, 1.745073892511621, 6.321237217488378, 2.1335211299999997, 5.77822944751162, 5.77822944751162, 2.13352113, ...

[ 4.26704226, 0, 2.612809822767744e-16, -4.939191040894117e-16, 8.06631111, 4.939191040894117e-16, 0, 0, 8.06631111 ]

[ 62, 62, 50, 50, 50, 50, 46, 46, 46, 46, 46, 46, 46, 46 ]

[ 1, 1, 1 ]

alex<agm003456532>

Sm(SnPd2)2

P4_2/mnm

Pd-Sm-Sn

14

# generated using pymatgen data_Sm(SnPd2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.26704226 _cell_length_b 8.06631111 _cell_length_c 8.06631111 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...

0.082248

null

-0.000029

5,226.351634

93.287659

[ 1.1131987925, 1.2328309269779907, 3.22015948792982, 3.3395963774999995, 4.590972758403304, 2.8539093799608186, 3.3395963774999995, 4.497348183834415, -0.9503951226923611, 1.1131987925, 1.3264555015468804, 7.0244639905829995, 3.3395963775, 1.8817381774412254, 0.9905248553124377, 1.11319...

[ 4.45279517, 0, 2.726550676099647e-16, -3.566051271082381e-16, 5.823803685381295, -2.230961452109362, 0, 0, 8.30503032 ]

[ 62, 62, 62, 62, 50, 50, 46, 46 ]

[ 1, 1, 1 ]

alex<agm003629232>

Sm2SnPd

P2_1/m

Pd-Sm-Sn

8

# generated using pymatgen data_Sm2SnPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45279517 _cell_length_b 6.23649568 _cell_length_c 8.30503032 _cell_angle_alpha 110.96065462 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...

0.076041

null

0.000084

3,753.024627

51.230373

[ 0, 0, 0, 0, 0, 2.758079695, 2.18604864, 1.262115770765615, 4.137119542500002, -8.27933916980328e-16, 2.5242315415312304, 1.3790398475, -8.27933916980328e-16, 2.5242315415312304, 4.137119542500001, 2.18604864, 1.262115770765615, 1.3790398475000003 ]

[ 4.37209728, 0, 1.2385143602070465e-15, -2.1860486400000014, 3.7863473122968454, 2.6771374697564246e-16, 0, 0, 5.51615939 ]

[ 25, 25, 31, 31, 78, 78 ]

[ 1, 1, 1 ]

mp-569151

MnGaPt

P6_3/mmc

Ga-Mn-Pt

6

# generated using pymatgen data_MnGaPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37209728 _cell_length_b 4.37209728 _cell_length_c 5.51615939 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...

0

122.431631

null

6,275.708138

148.784134

[ 2.97365181, 7.616035038807338e-17, 2.7550570970110715, -1.4609726691816329e-16, 2.385949434888196, 5.941083081494463, -2.4199964691294313e-16, 3.9521541571240415, 2.281777266494462, 1.4868259049999997, 4.470138778852001, 4.737775802714809, 1.4868259049999994, 1.8679648131602364, 1.078469...

[ 2.97365181, 0, 1.8208365854476166e-16, -3.880969138311065e-16, 6.338103592012239, -3.6593058150000024, 0, 0, 7.3186116299999995 ]

[ 25, 25, 25, 31, 31, 31, 78, 78, 78 ]

[ 1, 1, 1 ]

alex<agm002222880>

MnGaPt

P-62m

Ga-Mn-Pt

9

# generated using pymatgen data_MnGaPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.97365181 _cell_length_b 7.31861163 _cell_length_c 7.31861163 _cell_angle_alpha 120.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...

0.023441

null

0.083283

6,275.708138

140.265137

[ 0, 0, 0, 1.4227535499999997, 2.4964921935917572, 3.820666494291913e-16, 1.42275355, 1.2482460967958782, 2.1620256600000003 ]

[ 2.8455071, 0, 1.7423705809830335e-16, -2.2929908804838747e-16, 3.7447382903876356, -2.1620256599999994, 0, 0, 4.32405132 ]

[ 25, 31, 78 ]

[ 1, 1, 1 ]

alex<agm001260563>

MnGaPt

P-6m2

Ga-Mn-Pt

3

# generated using pymatgen data_MnGaPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.84550710 _cell_length_b 4.32405132 _cell_length_c 4.32405132 _cell_angle_alpha 120.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...

0.065585

null

0.084253

6,275.708138

143.749817

[ -1.1849808352856911e-16, 1.935220565, 1.1849808352856911e-16, 0, 0, 1.935220565, 1.9345032599999998, 1.935220565, 1.9352205650000003, 1.93450326, 0, 1.18454161264956e-16 ]

[ 3.86900652, 0, 2.36908322529912e-16, -2.3699616705713823e-16, 3.87044113, 2.3699616705713823e-16, 0, 0, 3.87044113 ]

[ 25, 25, 31, 78 ]

[ 1, 1, 1 ]

alex<agm001215122>

Mn2GaPt

P4/mmm

Ga-Mn-Pt

4

# generated using pymatgen data_Mn2GaPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.86900652 _cell_length_b 3.87044113 _cell_length_c 3.87044113 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...

0.057884

null

0.120948

5,619.455797

122.798981

[ 1.8700049249999997, 1.974473665, 1.9744736650000003, -1.2090164269214968e-16, 1.974473665, 1.2090164269214968e-16, 0, 0, 1.974473665, 1.870004925, 0, 1.1450477728955182e-16 ]

[ 3.74000985, 0, 2.2900955457910364e-16, -2.4180328538429936e-16, 3.94894733, 2.4180328538429936e-16, 0, 0, 3.94894733 ]

[ 25, 31, 31, 78 ]

[ 1, 1, 1 ]

alex<agm001215362>

MnGa2Pt

P4/mmm

Ga-Mn-Pt

4

# generated using pymatgen data_MnGa2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.74000985 _cell_length_b 3.94894733 _cell_length_c 3.94894733 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...

0.092279

null

0.045242

5,492.36403

149.53009

[ 1.8489031388154544, 1.9431862373339464, 0.8293805849496919, 0.8925820309222564, 0.9380984398982267, 4.003960432125739, 2.8323979676722986, 2.976833420586897, 5.2411591145210785 ]

[ 3.1704693780112527, 0, -0.7067762278537534, -0.15755794370173812, 3.166552000562179, -0.7067762271598995, 0, 0, 7.4644620903469265 ]

[ 58, 12, 48 ]

[ 1, 1, 1 ]

alex<agm001832214>

CeMgCd

I4mm

Cd-Ce-Mg

3

# generated using pymatgen data_CeMgCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.24829320 _cell_length_b 3.24829320 _cell_length_c 7.46446209 _cell_angle_alpha 102.56716197 _cell_angle_beta 102.56716197 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...

0.091202

null

0.011211

2,140.816091

50.968624

[ 1.7602282315721047, 1.2446693189806397, 3.0488047300000014, 5.280684694716314, 3.734007956941918, 9.14641419, 0, 0, 0, 3.520456463144209, 2.4893386379612785, 6.09760946, 2.696796387201137, 3.654169888145224, 4.6709883603005595, 2.696796387201137, 3.654169888145224, 7.52423055969944...

[ 5.280684694716314, 0, 3.0488047299999996, 1.7602282315721043, 4.978677275922557, 3.0488047300000005, 0, 0, 6.09760946 ]

[ 56, 56, 62, 51, 8, 8, 8, 8, 8, 8 ]

[ 1, 1, 1 ]

mp-6037

Ba2SmSbO6

Fm-3m

Ba-O-Sb-Sm

10

# generated using pymatgen data_Ba2SmSbO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.09760946 _cell_length_b 6.09760946 _cell_length_c 6.09760946 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...

0

3.6054

null

-0

2,426.68673

114.443253

[ 5.268836280766546, 3.7310157028738313, 9.090922502239572, 1.7613085945756604, 1.247233672444338, 3.0389860459824916, 0, 0, 0, 3.5150724376711033, 2.4891246876590847, 6.064954274111032, 4.277564208668482, 1.1700836012278009, 4.735999144991744, 5.268025801880604, 3.4963676609554906, ...

[ 5.27769378348294, 0, 3.023703189111031, 1.7524510918592666, 4.978249375318169, 3.0237031891110315, 0, 0, 6.08250217 ]

[ 56, 56, 62, 51, 8, 8, 8, 8, 8, 8 ]

[ 1, 1, 1 ]

alex<agm002175149>

Ba2SmSbO6

R-3

Ba-O-Sb-Sm

10

# generated using pymatgen data_Ba2SmSbO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.08250217 _cell_length_b 6.08250217 _cell_length_c 6.08250217 _cell_angle_alpha 60.19068588 _cell_angle_beta 60.19068588 _cell_angle_gamma 60.19068588 _symmetry_Int_Tables_number 1 _chemical_formula_structural...

0.003575

null

-0

2,426.68673

112.267021

[ 0, 0, 0, 0, 0, 6.32084861, -5.756607871868862e-16, 3.2073390778861937, 3.1604243050000007, 2.777637119999999, 1.6036695389430966, 9.481272915, 2.777637119999999, 1.6036695389430966, 3.160424305000001, -5.756607871868862e-16, 3.2073390778861937, 9.481272915, 0.657018728989285, 4...

[ 5.55527424, 0, 1.573681114691091e-15, -2.777637120000002, 4.81100861682929, 3.4016244082008727e-16, 0, 0, 12.64169722 ]

[ 37, 37, 82, 82, 53, 53, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]

[ 1, 1, 1 ]

mp-616564

RbPbIO6

P6_322

I-O-Pb-Rb

18

# generated using pymatgen data_RbPbIO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.55527424 _cell_length_b 5.55527424 _cell_length_c 12.64169722 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...

0

1.3747

null

2,992.630363

31.96047

[ -5.755732468415432e-16, 3.205973367371431, 6.3453799900000005, 0, 0, 3.172689995, 2.7764543799999992, 1.6029866836857152, 3.172689995000001, 2.117872848631662, 3.016850690129365, 2.0413863467802793, 1.222721495003729, 1.4664030651817288, 4.303993643219723, 3.6716057336279344, 0.32570...

[ 5.55290876, 0, 1.5730110287435105e-15, -2.776454380000002, 4.808960051057146, 3.400175969445649e-16, 0, 0, 6.34537999 ]

[ 37, 82, 53, 8, 8, 8, 8, 8, 8 ]

[ 1, 1, 1 ]

alex<agm005079419>

RbPbIO6

P312

I-O-Pb-Rb

9

# generated using pymatgen data_RbPbIO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.55290876 _cell_length_b 5.55290876 _cell_length_c 6.34537999 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...

0.00117

null

0.000055

2,992.630363

40.410751

[ 5.253259142421646, 3.714615162936573, 9.09891174, 1.7510863808072157, 1.238205054312192, 3.0329705800000006, 0, 0, 0, 3.5021727616144305, 2.4764101086243824, 6.0659411599999995, 2.7125624543060107, 3.593087714209536, 4.698295989561744, 5.0813933762312695, 3.593087714209536, 6.06594...

[ 5.253259142421647, 0, 3.0329705799999993, 1.7510863808072141, 4.952820217248764, 3.0329705800000006, 0, 0, 6.0659411599999995 ]

[ 37, 37, 82, 53, 8, 8, 8, 8, 8, 8 ]

[ 1, 1, 1 ]

alex<agm004923145>

Rb2PbIO6

Fm-3m

I-O-Pb-Rb

10

# generated using pymatgen data_Rb2PbIO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.06594116 _cell_length_b 6.06594116 _cell_length_c 6.06594116 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...

0.089383

null

0.000002

3,420.280397

55.13261

[ 0, 0, 0, 1.6529846714015324, 1.1688366703454403, 2.8630534349999994, 4.132461678503832, 2.9220916758636015, 4.2945801525, 4.132461678503832, 2.9220916758636015, 7.1576335875, 1.6529846714015322, 2.9220916758636015, 5.72610687, 3.3059693428030643, 0.5844183351727203, 5.7261068699999...

[ 4.958954014204599, 0, 2.863053435, 1.6529846714015317, 4.675346681381763, 2.8630534350000003, 0, 0, 5.72610687 ]

[ 83, 83, 79, 79, 79, 79 ]

[ 1, 1, 1 ]

mp-570113

BiAu2

Fd-3m

Au-Bi

6

# generated using pymatgen data_BiAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.72610687 _cell_length_b 5.72610687 _cell_length_c 5.72610687 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural B...

0

null

0.000003

2,733.087639

98.747314

[ 0, 0, 0, 2.078759651325093, 2.3170377593706126, 0.5682943192175935, 0.966852432131, 1.0776779680318753, 2.9407566372657272 ]

[ 3.4147237518471503, 0, -1.1226817791486798, -0.36911166839105636, 3.3947157274024877, -1.1226817826282267, 0, 0, 5.754414518260227 ]

[ 83, 79, 79 ]

[ 1, 1, 1 ]

alex<agm001850681>

BiAu2

I4/mmm

Au-Bi

3

# generated using pymatgen data_BiAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.59454485 _cell_length_b 3.59454485 _cell_length_c 5.75441452 _cell_angle_alpha 108.19966290 _cell_angle_beta 108.19966290 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...

0.078399

null

-0.000012

2,733.087639

76.618958

[ 0.038473153972793606, 3.0682917540277845, -0.06549137093120883, 1.4657710942856923, 1.0227639180092618, 2.4951257800465356, 2.931542188571384, 2.045527836018523, 9.307132842195642e-11 ]

[ 4.358840128884283, 0, -2.4296344089291844, -2.854595880625797, 4.091055672037046, -0.13098274195548884, 0, 0, 4.99025156 ]

[ 83, 83, 79 ]

[ 1, 1, 1 ]

alex<agm001850680>

Bi2Au

Fm-3m

Au-Bi

3

# generated using pymatgen data_Bi2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99025156 _cell_length_b 4.99025156 _cell_length_c 4.99025156 _cell_angle_alpha 91.50405650 _cell_angle_beta 119.13546518 _cell_angle_gamma 119.13546518 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...

0

null

-0

4,398.45664

50.461773

[ -2.443515280373926e-16, 3.990563290697688, 0.9707881773942905, 2.2845572399999994, 4.307016154302313, 4.578933532394291, -9.436860889561147e-17, 1.5411563393023127, 6.245502532605711, 2.28455724, 1.2247034756976878, 2.63735717760571, 2.28455724, 0, 1.3988878557174557e-16, -1.6936006846...

[ 4.56911448, 0, 2.7977757114349113e-16, -3.387201369330041e-16, 5.53171963, 3.387201369330041e-16, 0, 0, 7.21629071 ]

[ 83, 83, 83, 83, 79, 79 ]

[ 1, 1, 1 ]

alex<agm003284933>

Bi2Au

Pnnm

Au-Bi

6

# generated using pymatgen data_Bi2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56911448 _cell_length_b 5.53171963 _cell_length_c 7.21629071 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural B...

0.033398

null

-0.000093

4,398.45664

39.06842

[ -6.057065241963738e-16, 2.521379881534644, 3.8474799271970115, 2.1835790300000006, 1.2606899407673215, 1.4393567128029903, 0, 0, 0 ]

[ 4.367158060000001, 0, 1.2371151930553448e-15, -2.1835790300000015, 3.7820698223019655, 2.6741130697747826e-16, 0, 0, 5.28683664 ]

[ 83, 83, 79 ]

[ 1, 1, 1 ]

alex<agm002136668>

Bi2Au

P-3m1

Au-Bi

3

# generated using pymatgen data_Bi2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.36715806 _cell_length_b 4.36715806 _cell_length_c 5.28683664 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...

0.027849

null

0

4,398.45664

61.238209

[ 4.86037824, 4.766510535432846e-16, 3.25449900553874, 4.86037824, 2.8184788153877407, -1.6272495027693703, -2.2661754257827336e-16, 3.7009453294787247, 2.136741782230628, 2.4301891199999996, 4.973065046637053, -2.871200443373423, 2.43018912, 1.5463590982294122, 0.8927908416265776, 2.430...

[ 4.86037824, 0, 2.976123327130723e-16, -3.9919959556473436e-16, 6.519424144866465, -3.763991285000002, 0, 0, 7.527982569999999 ]

[ 58, 58, 58, 12, 12, 12, 48, 48, 48 ]

[ 1, 1, 1 ]

alex<agm002220247>

CeMgCd

P-62m

Cd-Ce-Mg

9

# generated using pymatgen data_CeMgCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86037824 _cell_length_b 7.52798257 _cell_length_c 7.52798257 _cell_angle_alpha 120.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...

0.072147

null

0.011561

2,140.816091

48.104851

[ 2.6177983566060035, 0.9001989383939963, 6.135795651606004, 0.900198938393996, 6.135795651606003, 2.617798356606004, 6.135795651606003, 2.6177983566060035, 0.9001989383939969, 4.418196233393997, 4.418196233393997, 4.418196233393997, 2.6177983566060035, 2.6177983566060035, 2.61779835660600...

[ 7.03599459, 0, 4.3083041267307965e-16, -4.3083041267307965e-16, 7.03599459, 4.3083041267307965e-16, 0, 0, 7.03599459 ]

[ 83, 83, 83, 83, 83, 83, 83, 83, 79, 79, 79, 79 ]

[ 1, 1, 1 ]

alex<agm002136669>

Bi2Au

Pa-3

Au-Bi

12

# generated using pymatgen data_Bi2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.03599459 _cell_length_b 7.03599459 _cell_length_c 7.03599459 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural B...

0.035332

null

0

4,398.45664

39.545712

[ 0.5063310338003049, 1.7970971475430337, 5.475707381886321, 3.2075064869682115, 3.9758407362182355, 4.003287642093525, 1.9955928560037544, 4.490337545423626, 7.892256190014179, 1.7182446647647618, 1.282600338337643, 1.5867388339656674, 0.5997113614944841, 4.753982422930908, 5.276880574203...

[ 4.045614358474936, 0, 1.2361177961286822, -0.3317768377064194, 5.772937883761269, 1.0979991378511647, 0, 0, 7.14487809 ]

[ 83, 83, 83, 83, 79, 79 ]

[ 1, 1, 1 ]

alex<agm002136665>

Bi2Au

C2/m

Au-Bi

6

# generated using pymatgen data_Bi2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.23024618 _cell_length_b 5.88578710 _cell_length_c 7.14487809 _cell_angle_alpha 79.24843076 _cell_angle_beta 73.00972264 _cell_angle_gamma 89.96544732 _symmetry_Int_Tables_number 1 _chemical_formula_structural B...

0.043337

null

0

4,398.45664

47.5242

[ 5.6600180756061285, 3.826311415753835, 7.120719686711164, 2.873518022776041, 1.6320449336178655, 2.3634184788076253, 1.88232262808142, 5.757186552877366, 8.356034572759395, 6.0380550033231914, 0.47982002632558257, 4.742069082759394, 5.046859608628569, 4.604961645585085, 10.73468517671116...

[ 6.41589565692537, 0, 2.9350863377593948, 1.5044819744792406, 6.23700657920295, 2.9350863377593948, 0, 0, 7.22793098 ]

[ 83, 83, 83, 83, 83, 83, 79, 79, 79, 79 ]

[ 1, 1, 1 ]

alex<agm003287489>

Bi3Au2

C2/c

Au-Bi

10

# generated using pymatgen data_Bi3Au2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.05538439 _cell_length_b 7.05538439 _cell_length_c 7.22793098 _cell_angle_alpha 65.41727831 _cell_angle_beta 65.41727831 _cell_angle_gamma 68.47096420 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...

0.058088

null

-0.000007

4,070.609068

58.596104

[ 0, 0, 0, -1.752935941274997e-16, 2.86276164277808, 1.1083433801123999, -8.670590838033625e-17, 1.4160149430954996, 3.7506772170583766, 2.184603425, 2.13938829293679, -0.8076956814146117, 2.184603425, 0.7511872375234003, 1.9897111817805018, 2.184603425, 3.5275893483501792, 2.8693094...

[ 4.36920685, 0, 2.675367591832595e-16, -2.6199950250783596e-16, 4.27877658587358, -1.6153913628292236, 0, 0, 6.47441196 ]

[ 83, 79, 79, 79, 79, 79 ]

[ 1, 1, 1 ]

alex<agm001193495>

BiAu5

Cmmm

Au-Bi

6

# generated using pymatgen data_BiAu5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.36920685 _cell_length_b 4.57355642 _cell_length_c 6.47441196 _cell_angle_alpha 110.68331725 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...

0.064063

null

0.000024

1,875.264204

92.208237

[ 2.778859106245897, 3.9213970981468815, 2.8095312573677798, 0.7645110634451242, 1.0788425577088656, 5.965146994127344, 3.619881488662353, 1.314965424811979, 1.252259466552614, 3.50236852254809, 1.149136576822041, 7.52241878494251, 0.04100164714293148, 3.851103079033706, 1.252259466552614,...

[ 5.299738240264576, 0, -0.1910683692524382, -1.7563680705735543, 5.000239655855747, -0.1910683692524382, 0, 0, 9.15681499 ]

[ 83, 83, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79 ]

[ 1, 1, 1 ]

alex<agm002254457>

BiAu5

C2/m

Au-Bi

12

# generated using pymatgen data_BiAu5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.30318136 _cell_length_b 5.30318136 _cell_length_c 9.15681499 _cell_angle_alpha 92.06475703 _cell_angle_beta 92.06475703 _cell_angle_gamma 109.24924986 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...

0.059016

null

-0

1,875.264204

96.545815

[ 2.338813825, 1.9830725209795683e-32, 1.4321104322939142e-16, 4.67762765, 9.555345698385758e-17, 2.8171452650000006, 2.338813825, 1.6264795770940295, 2.817145265, 4.67762765, 2.4397193656410443, 4.225717897499999, 2.338813825, 3.252959154188059, -1.1404634742140373e-15, -1.4938972559750...

[ 4.67762765, 0, 2.864220864587828e-16, -2.987794511950116e-16, 4.879438731282089, -2.817145265000002, 0, 0, 5.63429053 ]

[ 83, 79, 79, 79, 79, 79 ]

[ 1, 1, 1 ]

alex<agm002330186>

BiAu5

P6/mmm

Au-Bi

6

# generated using pymatgen data_BiAu5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67762765 _cell_length_b 5.63429053 _cell_length_c 5.63429053 _cell_angle_alpha 120.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...

0.08363

null

0.000021

1,875.264204

101.778404

[ 0, 0, 0, -1.344724024003917e-16, 2.19610099, 2.19610099, 2.19610099, 0, 2.19610099, 2.19610099, 2.19610099, 2.689448048007834e-16 ]

[ 4.39220198, 0, 2.689448048007834e-16, -2.689448048007834e-16, 4.39220198, 2.689448048007834e-16, 0, 0, 4.39220198 ]

[ 83, 79, 79, 79 ]

[ 1, 1, 1 ]

alex<agm001190602>

BiAu3

Pm-3m

Au-Bi

4

# generated using pymatgen data_BiAu3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39220198 _cell_length_b 4.39220198 _cell_length_c 4.39220198 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural B...

0.083146

null

0.000026

2,306.323274

83.776321

[ -1.35004829842789e-16, 2.20479619, 1.809769258864644, 0, 0, 5.228898495433696, 1.816256765, 0, 2.9039603625060098, 1.8162567649999999, 2.20479619, 4.772128842540041 ]

[ 3.63251353, 0, 2.2242730336869766e-16, -2.70009659685578e-16, 4.40959238, 2.70009659685578e-16, 0, 0, 5.51803317 ]

[ 83, 79, 79, 79 ]

[ 1, 1, 1 ]

alex<agm001828574>

BiAu3

Pmm2

Au-Bi

4

# generated using pymatgen data_BiAu3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.63251353 _cell_length_b 4.40959238 _cell_length_c 5.51803317 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural B...

0.095808

null

0.000032

2,306.323274

86.108986

[ 1.8877865321689034, 1.4951064325, 4.174664370409288, 2.794669780618491, 4.4853192975, -0.05596133150010984, 1.5984800323920711, 4.4853192975, 3.5348898336315027, 3.083976280395323, 1.4951064325, 0.5838132052776758, 4.0787360761336915, 5.9100688918909015, 2.7836318955056076, 0.603720236...

[ 4.682456312787394, 0, -2.117410481090822, -3.661954613891487e-16, 5.98042573, 3.661954613891487e-16, 0, 0, 6.23611352 ]

[ 83, 83, 79, 79, 79, 79, 79, 79 ]

[ 1, 1, 1 ]

alex<agm003297003>

BiAu3

Cmcm

Au-Bi

8

# generated using pymatgen data_BiAu3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.13895167 _cell_length_b 5.98042573 _cell_length_c 6.23611352 _cell_angle_alpha 90.00000000 _cell_angle_beta 114.33252081 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...

0.062892

null

-0.000123

2,306.323274

83.921005

[ 3.609317055, 1.833852552777202, 3.1763257949999995, 1.2031056849999997, 3.667705105554404, -1.0057260874107853e-15, 1.2031056850000001, 0.8699607073406341, 1.5068161457025375, 1.203105685, 3.7616362436503374, 3.1763257949999986, 1.203105685, 0.8699607073406345, 4.845835444297462, 3.609...

[ 4.81242274, 0, 2.9467590523424676e-16, -3.3687324883002047e-16, 5.501557658331606, -3.1763257950000017, 0, 0, 6.35265159 ]

[ 83, 83, 79, 79, 79, 79, 79, 79 ]

[ 1, 1, 1 ]

alex<agm002136646>

BiAu3

P6_3/mmc

Au-Bi

8

# generated using pymatgen data_BiAu3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81242274 _cell_length_b 6.35265159 _cell_length_c 6.35265159 _cell_angle_alpha 120.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...

0.049343

null

0.000034

2,306.323274

81.150879

[ 1.6065074599999998, 1.9838594228018578, 5.720987505703741, 1.6065074599999998, 2.8935935648371465, 0.466056432478496, 0, 0, 0, -2.3896165463586993e-16, 3.9025399780939996, 3.3756223814684048, -5.969620482932015e-17, 0.9749130095450047, 2.811421556713832 ]

[ 3.21301492, 0, 1.9674042186953447e-16, -2.9865785946519007e-16, 4.877452987639004, -1.6913480518177628, 0, 0, 7.87839199 ]

[ 58, 58, 12, 48, 48 ]

[ 1, 1, 1 ]

alex<agm003392695>

Ce2MgCd2

Cmmm

Cd-Ce-Mg

5

# generated using pymatgen data_Ce2MgCd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.21301492 _cell_length_b 5.16238374 _cell_length_c 7.87839199 _cell_angle_alpha 109.12494526 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...

0.058713

null

0.012387

2,216.152554

59.83028

[ -5.713565220943907e-16, 3.1401885534952543, 8.300115311664001, 2.7194830599999995, 1.570094276747627, 0.5570066883360026, 2.7194830599999995, 1.570094276747627, 3.871554311664001, -5.713565220943907e-16, 3.1401885534952543, 4.985567688336001, -1.3248492025986716, 3.9050905972512573, 2.21...

[ 5.43896612, 0, 1.5407337057924755e-15, -2.7194830600000017, 4.710282830242881, 3.3304062247644493e-16, 0, 0, 8.857122 ]

[ 39, 39, 39, 39, 75, 75, 75, 75, 75, 75, 75, 75 ]

[ 1, 1, 1 ]

mp-570923

YRe2

P6_3/mmc

Re-Y

12

# generated using pymatgen data_YRe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.43896612 _cell_length_b 5.43896612 _cell_length_c 8.85712200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y...

0

202.848273

-0.000007

3,165.095562

207.435394

[ 1.5697782409837768, 1.1100008391587166, 2.7189356700000005, 0, 0, 0, 3.924445602459439, 2.775002097896795, 6.797339174999999, 3.924445602459439, 2.7750020978967944, 4.078403504999999, 3.1395564819675505, 0.5550004195793586, 5.437871339999999, 1.5697782409837755, 2.7750020978967944, ...

[ 4.7093347229513265, 0, 2.7189356699999996, 1.5697782409837746, 4.440003356634873, 2.7189356699999996, 0, 0, 5.43787134 ]

[ 39, 39, 75, 75, 75, 75 ]

[ 1, 1, 1 ]

alex<agm003202278>

YRe2

Fd-3m

Re-Y

6

# generated using pymatgen data_YRe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.43787134 _cell_length_b 5.43787134 _cell_length_c 5.43787134 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YR...

0.026039

null

-0.000017

3,165.095562

208.327133

[ -2.168363296510701e-16, 3.541206, 3.6897915, 3.541206, 0, 2.168363296510701e-16, 3.541206, 0, 3.6897915, -2.168363296510701e-16, 3.541206, 2.168363296510701e-16, 2.4456276877199996, 4.63678431228, 1.7583848984910004, 4.63678431228, 2.44562768772, 1.7583848984910004, 1.09557831228...

[ 7.082412, 0, 4.336726593021402e-16, -4.336726593021402e-16, 7.082412, 4.336726593021402e-16, 0, 0, 7.379583 ]

[ 49, 49, 49, 49, 49, 49, 49, 49, 49, 49, 49, 49, 44, 44, 44, 44 ]

[ 1, 1, 1 ]

mp-607450

In3Ru

P4_2/mnm

In-Ru

16

# generated using pymatgen data_In3Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.08241200 _cell_length_b 7.08241200 _cell_length_c 7.37958300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural I...

0

0.229

null

-0.000002

3,361.138794

69.457733