immutable_id large_stringlengths 4 13 | elements listlengths 1 7 | nsites int64 1 20 | nelements int64 1 7 | chemical_formula_anonymous large_stringclasses 529
values | chemical_formula_reduced large_stringlengths 1 17 | lattice_vectors listlengths 3 3 | cartesian_site_positions listlengths 1 20 | species_at_sites listlengths 1 20 | dft_hull float64 0 0.1 | energy float64 -948.71 -0.22 |
|---|---|---|---|---|---|---|---|---|---|---|
agm003481510 | [
"Cd",
"Hg",
"In"
] | 9 | 3 | A6B2C | Cd6HgIn2 | [
[
-5.366132222580595,
-3.0978965951815827,
0
],
[
5.366132222580595,
-3.0978965951815827,
0
],
[
-0.007423341349691291,
0,
6.918288771255559
]
] | [
[
0.9345404984697675,
-1.6231462977526792,
2.2928059245630905
],
[
3.48996702382194,
-3.0978965951815822,
2.2816663035322775
],
[
0.9345404984697683,
-4.572646892610486,
2.2928059245630905
],
[
-0.9419638398194576,
-4.572646892610486,
4.62548284669247
],... | [
"Cd",
"Cd",
"Cd",
"Cd",
"Cd",
"Cd",
"In",
"In",
"Hg"
] | 0.051563 | -10.835764 |
agm003466290 | [
"Cd",
"Hg",
"In"
] | 16 | 3 | A5B2C | Cd2Hg5In | [
[
7.81426839,
0,
0
],
[
0,
7.81426839,
0
],
[
-3.907134195,
-3.907134195,
6.79378583
]
] | [
[
1.1212257676634845,
2.7859084273365156,
0
],
[
5.028359962663485,
1.1212257676634845,
9.868511331633271e-17
],
[
2.785908427336515,
6.693042622336517,
0
],
[
2.7859084273365156,
1.1212257676634847,
6.793785829999999
],
[
3.9071341950000003,
3... | [
"Cd",
"Cd",
"Cd",
"Cd",
"In",
"In",
"Hg",
"Hg",
"Hg",
"Hg",
"Hg",
"Hg",
"Hg",
"Hg",
"Hg",
"Hg"
] | 0.021637 | -11.872248 |
agm003592446 | [
"Cd",
"Hg",
"La"
] | 18 | 3 | A4B4C | Cd4Hg4La | [
[
6.72822395,
0,
0
],
[
0,
6.72822395,
0
],
[
0,
0,
10.15874702
]
] | [
[
0,
0,
0
],
[
3.364111975,
3.364111975,
5.07937351
],
[
1.4383381184321204,
3.364111975,
9.482390545017116
],
[
5.289885831567879,
3.364111975,
9.482390545017116
],
[
3.364111975,
5.289885831567879,
0.6763564749828826
],
[
3.364111... | [
"La",
"La",
"Cd",
"Cd",
"Cd",
"Cd",
"Cd",
"Cd",
"Cd",
"Cd",
"Hg",
"Hg",
"Hg",
"Hg",
"Hg",
"Hg",
"Hg",
"Hg"
] | 0.08107 | -21.9592 |
agm003174291 | [
"Cd",
"Hg",
"Pb"
] | 4 | 3 | A2BC | CdHg2Pb | [
[
3.2288753,
0,
0
],
[
0,
5.80569,
0
],
[
0,
0,
5.81059841
]
] | [
[
1.61443765,
0,
2.905299205
],
[
0,
0,
0
],
[
1.61443765,
2.902845,
0
],
[
0,
2.902845,
2.905299205
]
] | [
"Pb",
"Hg",
"Hg",
"Cd"
] | 0.060454 | -5.015473 |
agm003338580 | [
"Cd",
"Hg",
"Pb"
] | 9 | 3 | A4B3C2 | Cd2Hg4Pb3 | [
[
0,
-4.95154987,
0
],
[
-5.547859658229195,
2.475774935,
0
],
[
1.7852509984042129,
0,
-8.999290406742958
]
] | [
[
-2.14878341361577,
1.101474572939793e-16,
-5.375316386775688
],
[
-1.6138252462092115,
-2.475774935,
-3.62397401996727
],
[
-1.7705707344638304,
-2.889465781810827e-17,
-8.250494099265943
],
[
-1.9920379253611513,
-2.475774935,
-0.7487963074770153
],
... | [
"Cd",
"Cd",
"Hg",
"Hg",
"Hg",
"Hg",
"Pb",
"Pb",
"Pb"
] | 0.04861 | -13.80841 |
agm003679379 | [
"Cd",
"Hg",
"Pr"
] | 13 | 3 | A7B5C | Cd5Hg7Pr | [
[
-6.30010861,
0,
0
],
[
-3.150054305,
-5.056327341770161,
-4.952530705122924
],
[
-3.150054305,
-5.056327341770161,
4.952530705122924
]
] | [
[
-9.450162915,
-5.056327341770161,
4.9458132905757255
],
[
-4.735069208682691,
-7.577417918589934,
-2.4769732673004516
],
[
-7.865148011317309,
-7.577417918589934,
-2.4769732673004516
],
[
-4.735069208682691,
-2.5352367649503873,
-2.476973267300452
],
... | [
"Pr",
"Cd",
"Cd",
"Cd",
"Cd",
"Cd",
"Hg",
"Hg",
"Hg",
"Hg",
"Hg",
"Hg",
"Hg"
] | 0.052776 | -12.531824 |
agm005597630 | [
"Cd",
"Hg",
"Tl"
] | 12 | 3 | A3B2C | Cd3Hg2Tl | [
[
5.789049940718488,
0,
0
],
[
-0.7697241699851927,
7.536722770956978,
0
],
[
-2.4642366699420593,
-2.715508385442009,
7.1167304598705785
]
] | [
[
-2.182233528895204,
-1.1529910636095606,
6.483140685975824
],
[
4.737322629686441,
5.974205449124531,
0.633589773894754
],
[
-0.5453234194869461,
5.978713014594758,
4.077824709118146
],
[
1.8150200798189802,
3.715305498961459,
4.396224098531354
],
[
... | [
"Tl",
"Tl",
"Cd",
"Cd",
"Cd",
"Cd",
"Cd",
"Cd",
"Hg",
"Hg",
"Hg",
"Hg"
] | 0.046993 | -11.064417 |
agm005635269 | [
"Cd",
"Hg",
"Tm"
] | 12 | 3 | A3B2C | Cd3HgTm2 | [
[
-3.391245396852289,
-4.93814277086546,
0
],
[
-3.391245396852289,
4.93814277086546,
0
],
[
3.391245396852289,
0,
-8.535123631499829
]
] | [
[
-1.6956226984261449,
2.4690713854327297,
-4.2675618157499144
],
[
-1.7070180290335544,
1.033603219727951e-16,
-9.47589077371339e-16
],
[
-1.6956226984261462,
-2.4690713854327324,
-4.2675618157499144
],
[
-5.075472764671023,
1.1868428295223621e-16,
-9.475... | [
"Tm",
"Tm",
"Tm",
"Tm",
"Cd",
"Cd",
"Cd",
"Cd",
"Cd",
"Cd",
"Hg",
"Hg"
] | 0.020319 | -27.738052 |
agm003466303 | [
"Cd",
"Hg",
"Tm"
] | 16 | 3 | A5B2C | Cd5HgTm2 | [
[
0,
0,
4.39702276
],
[
6.56660034,
0,
0
],
[
0,
13.09217029,
0
]
] | [
[
1.518822744964348,
8.127600463306784,
2.19851138
],
[
5.047777595035652,
4.964569826693216,
2.19851138
],
[
1.7644774250356519,
1.5815153183067838,
2.19851138
],
[
4.802122914964348,
11.510654971693217,
2.19851138
],
[
0,
0,
0
],
[
... | [
"Tm",
"Tm",
"Tm",
"Tm",
"Cd",
"Cd",
"Cd",
"Cd",
"Cd",
"Cd",
"Cd",
"Cd",
"Cd",
"Cd",
"Hg",
"Hg"
] | 0.038811 | -31.410841 |
agm005555799 | [
"Cd",
"Ho",
"Ni"
] | 7 | 3 | A3B2C2 | Cd3Ho2Ni2 | [
[
0,
0,
3.68989064
],
[
3.8791792368116527,
0,
0
],
[
-1.9395896184058263,
10.216081378635941,
0
]
] | [
[
1.939589618405826,
6.677106152883631,
0
],
[
-4.9434255724484254e-17,
3.53897522575231,
0
],
[
1.9395896184058263,
1.5984529410986317,
1.8449453199999999
],
[
7.419362740399037e-17,
8.61762843753731,
1.8449453199999999
],
[
0,
0,
0
],
... | [
"Ho",
"Ho",
"Cd",
"Cd",
"Cd",
"Ni",
"Ni"
] | 0 | -26.05442 |
agm003642289 | [
"Cd",
"Ho",
"Tb"
] | 10 | 3 | A5B4C | Cd4Ho5Tb | [
[
3.67207334,
0,
0
],
[
0,
3.67207334,
0
],
[
0,
0,
20.20168049
]
] | [
[
0,
0,
0
],
[
1.83603667,
1.83603667,
2.442328020653262
],
[
1.83603667,
1.83603667,
6.3003102154245925
],
[
1.83603667,
1.83603667,
10.100840245
],
[
1.83603667,
1.83603667,
13.90137027457541
],
[
1.83603667,
1.83603667,
1... | [
"Tb",
"Ho",
"Ho",
"Ho",
"Ho",
"Ho",
"Cd",
"Cd",
"Cd",
"Cd"
] | 0.020883 | -33.555841 |
agm006128790 | [
"Cd",
"Ho",
"Tl"
] | 10 | 3 | A5B4C | CdHo4Tl5 | [
[
0,
4.997738919281159,
0
],
[
2.001441995963787,
0,
-6.135082992469895
],
[
-8.75305314451941,
-2.4988694596405794,
0
]
] | [
[
-3.2548695717446257,
2.49886945964058,
-0.7297676924984845
],
[
-0.8478896015504868,
-3.804342888447623e-18,
-2.1601151747554583
],
[
-3.4967415768109955,
3.695675592555404e-17,
-5.405315299971411
],
[
-5.903721547005134,
2.4988694596405794,
-3.974967817... | [
"Ho",
"Ho",
"Ho",
"Ho",
"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"Cd"
] | 0.014073 | -33.828448 |
agm003606097 | [
"Cd",
"I",
"La"
] | 6 | 3 | ABC | CdILa | [
[
0,
-4.75541964,
0
],
[
-4.118829822482364,
-2.37770982,
0
],
[
-1.3593585496186193,
-2.37770982,
-11.809646046814217
]
] | [
[
-2.738227989225813,
-4.755419640000001,
-3.7954299860482728
],
[
-2.7399603828751706,
-4.75541964,
-8.014216060765945
],
[
-1.366093748059005,
-2.37770982,
-6.051146781759885
],
[
-4.112094624041979,
-7.133129460000001,
-5.758499265054332
],
[
-1... | [
"La",
"La",
"Cd",
"Cd",
"I",
"I"
] | 0.072406 | -19.73038 |
agm005825626 | [
"Cd",
"I",
"Tl"
] | 18 | 3 | A6B2C | Cd2I6Tl | [
[
3.100830220972036,
0,
-6.814442643265726
],
[
8.41156599472686,
8.152258718739327,
0
],
[
8.41156599472686,
-8.152258718739327,
0
]
] | [
[
9.18677354996987,
-4.473812518096856,
-1.7036106608164314
],
[
10.737188660455889,
4.473812518096856,
-5.1108319824492945
],
[
12.76163991794899,
-1.2265898250925655,
-1.0262243289394983
],
[
5.611907181990749,
-1.2265898250925649,
-2.3809969926933654
... | [
"Tl",
"Tl",
"Cd",
"Cd",
"Cd",
"Cd",
"I",
"I",
"I",
"I",
"I",
"I",
"I",
"I",
"I",
"I",
"I",
"I"
] | 0.068033 | -35.581585 |
agm003191899 | [
"Cd",
"In",
"Li"
] | 4 | 3 | A2BC | CdIn2Li | [
[
4.4454307522110454,
0,
0
],
[
0,
4.4454307522110454,
0
],
[
-2.2227153761055227,
-2.2227153761055227,
4.571821711826819
]
] | [
[
2.2227153761055227,
0,
2.2859108559134094
],
[
0,
0,
0
],
[
2.2227153761055227,
2.2227153761055227,
0
],
[
0,
2.2227153761055227,
2.2859108559134094
]
] | [
"Cd",
"Li",
"In",
"In"
] | 0.026111 | -8.855414 |
agm003543641 | [
"Cd",
"In",
"Tl"
] | 14 | 3 | A3B3C | Cd3In3Tl | [
[
0,
0,
-4.92245749
],
[
-4.658433144474715,
-8.068642889893054,
0
],
[
-4.658433144474715,
8.068642889893054,
0
]
] | [
[
-4.658433144474715,
-2.6895476299643524,
-1.2306143724999996
],
[
-4.6584331444747145,
2.689547629964351,
-3.6918431175000004
],
[
-7.4103986114893114,
0.2909473553395118,
-3.6918431175000004
],
[
-1.2052016396179752,
1.5055757625046249,
-3.6918431175000... | [
"Tl",
"Tl",
"Cd",
"Cd",
"Cd",
"Cd",
"Cd",
"Cd",
"In",
"In",
"In",
"In",
"In",
"In"
] | 0.059038 | -25.907852 |
agm005603557 | [
"Cd",
"In",
"Tm"
] | 9 | 3 | A4B3C2 | Cd2In4Tm3 | [
[
0,
-4.95070311,
0
],
[
-5.5151173569590135,
-2.475351555,
0
],
[
-0.9813614636595247,
-2.475351555,
-8.085598012916442
]
] | [
[
-2.1750929686025824,
-4.950703109999999,
-2.6985541061583627
],
[
0,
0,
0
],
[
-4.321385852015956,
-4.95070311,
-5.3870439067580795
],
[
-1.0091557577071621,
-4.95070311,
-5.810287445559478
],
[
-5.487323062911374,
-4.95070311,
-2.2753105... | [
"Tm",
"Tm",
"Tm",
"Cd",
"Cd",
"In",
"In",
"In",
"In"
] | 0.020816 | -29.341272 |
agm006028739 | [
"Cd",
"K",
"Rb"
] | 9 | 3 | A4B4C | CdK4Rb4 | [
[
8.477194140003835,
0,
0
],
[
0,
8.477194140003835,
0
],
[
-4.2385970700019175,
-4.2385970700019175,
9.311356115001423
]
] | [
[
1.6355166791869127,
6.841677460816923,
3.2824550869656957
],
[
6.841677460816922,
1.6355166791869122,
3.282455086965698
],
[
-2.603080390815005,
-2.603080390815005,
6.028901028035726
],
[
2.603080390815004,
2.603080390815006,
6.028901028035727
],
[
... | [
"K",
"K",
"K",
"K",
"Rb",
"Rb",
"Rb",
"Rb",
"Cd"
] | 0.068401 | -8.961674 |
agm003527416 | [
"Cd",
"La",
"Ru"
] | 11 | 3 | A8B2C | Cd2La8Ru | [
[
0,
5.67583694,
0
],
[
2.5067196023517644,
0,
-6.657035500573888
],
[
-9.253835241949583,
-2.83791847,
0
]
] | [
[
-6.115179679415519,
-8.191522490494663e-17,
-3.946740726910393
],
[
-0.3993084774331339,
2.8379184699999995,
-6.274467320168031
],
[
-3.6037972854668623,
2.8379184699999995,
-4.86291943160924
],
[
-8.536690916836491,
2.83791847,
-1.3776712334516947
],
... | [
"La",
"La",
"La",
"La",
"La",
"La",
"La",
"La",
"Cd",
"Cd",
"Ru"
] | 0.062591 | -52.357919 |
agm005840977 | [
"Cd",
"La",
"Tm"
] | 8 | 3 | A5B2C | CdLa5Tm2 | [
[
-4.5571275872713555,
0,
5.3530413932500505
],
[
4.637046667643622,
-5.342408184340945,
0
],
[
4.637046667643622,
5.342408184340945,
0
]
] | [
[
4.344202613166194,
-2.526170318048931,
0.09720025796656523
],
[
4.157331884421429,
7.962820381771245e-16,
2.5061329608345653
],
[
0.07961932251135194,
-9.040707644854303e-17,
2.6435638943312716
],
[
4.344202613166194,
2.526170318048932,
0.097200257966565... | [
"La",
"La",
"La",
"La",
"La",
"Tm",
"Tm",
"Cd"
] | 0.057979 | -34.711128 |
agm005859482 | [
"Cd",
"La",
"Tm"
] | 11 | 3 | A8B2C | Cd2La8Tm | [
[
0,
5.412811245652341,
0
],
[
3.3474590014325774,
0,
-7.876515796868814
],
[
-8.759144578428918,
-2.7064056228261704,
0
]
] | [
[
-1.7532775048595737,
1.1026122925260687e-16,
-4.990890828733762
],
[
-3.6584080721367664,
2.70640562282617,
-2.885624968135054
],
[
0,
2.7064056228261704,
0
],
[
-0.2293058299569136,
2.7064056228261704,
-3.678208191892674
],
[
-5.314123111283854,... | [
"Cd",
"Cd",
"Tm",
"La",
"La",
"La",
"La",
"La",
"La",
"La",
"La"
] | 0.040514 | -46.619202 |
agm006109055 | [
"Cd",
"Li",
"Pb"
] | 19 | 3 | A12B6C | Cd12Li6Pb | [
[
5.171025717812732,
2.9854930901656584,
4.266661383460585
],
[
5.171025717812732,
-2.9854930901656584,
-4.266661383460585
],
[
0,
5.970986180331317,
-4.266661383460585
]
] | [
[
5.956413100613794,
6.201867855422597,
-0.46009376628753307
],
[
8.349181664016983,
3.9135150474766336,
-3.8065676171730525
],
[
2.7782571544095416,
5.2738458981116185,
-3.8065676171730534
],
[
4.385638335011671,
-0.23088167509128044,
-3.806567617173054
... | [
"Li",
"Li",
"Li",
"Li",
"Li",
"Li",
"Cd",
"Cd",
"Cd",
"Cd",
"Cd",
"Cd",
"Cd",
"Cd",
"Cd",
"Cd",
"Cd",
"Cd",
"Pb"
] | 0.03836 | -29.385534 |
agm006054622 | [
"Cd",
"Li",
"Pd"
] | 20 | 3 | A6B3C | CdLi6Pd3 | [
[
0,
0,
4.2514106565321415
],
[
6.969939020000377,
0,
0
],
[
0,
11.194867387988111,
0
]
] | [
[
5.602851835046773,
9.629239547531657,
2.1257053282660707
],
[
6.885994747228857,
7.0142505131841375,
2.1257053282660707
],
[
5.62306326421697,
1.602664603876854,
2.1257053282660707
],
[
1.3468757557834057,
9.59220278411126,
2.1257053282660707
],
[
... | [
"Li",
"Li",
"Li",
"Li",
"Li",
"Li",
"Li",
"Li",
"Li",
"Li",
"Li",
"Li",
"Cd",
"Cd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd"
] | 0.073018 | -62.263931 |
agm003328429 | [
"Cd",
"Mg",
"Nd"
] | 8 | 3 | A3B3C2 | Cd3Mg2Nd3 | [
[
4.64736097,
0,
0
],
[
0,
5.00890161,
0
],
[
-2.323680485,
-2.504450805,
9.16555988
]
] | [
[
2.323680485,
2.504450805,
2.3641165795690284
],
[
-8.409077096879683e-17,
-3.1448652511804213e-17,
6.801443300430972
],
[
2.323680485,
0,
0
],
[
2.323680485,
-2.991048081584467e-17,
4.4873144012690815
],
[
6.137657192759178e-17,
2.50445080499... | [
"Nd",
"Nd",
"Nd",
"Mg",
"Mg",
"Cd",
"Cd",
"Cd"
] | 0.06756 | -21.927279 |
agm005667262 | [
"Cd",
"Mg",
"Nd"
] | 12 | 3 | A3B2C | CdMg3Nd2 | [
[
-3.3676832665796423,
-5.249807229914387,
0
],
[
-3.3676832665796423,
5.249807229914387,
0
],
[
3.3676832665796423,
0,
-9.073108487378814
]
] | [
[
-1.6838416332898212,
2.6249036149571934,
-4.536554243689407
],
[
-1.6920361833055564,
6.78920077320202e-17,
0
],
[
-1.6838416332898212,
-2.624903614957193,
-4.536554243689407
],
[
-5.043330349853728,
-6.78920077320202e-17,
0
],
[
-3.3676832665796... | [
"Nd",
"Nd",
"Nd",
"Nd",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Cd",
"Cd"
] | 0.020544 | -32.551109 |
agm005804416 | [
"Cd",
"Mg",
"Ni"
] | 12 | 3 | A4BC | CdMg4Ni | [
[
-1.8402902582048701,
0,
4.818218145789511
],
[
0,
-6.999370835182684,
0
],
[
7.1633691388725,
3.499685417591342,
0
]
] | [
[
2.135298282097598,
-3.499685417591342,
0.8179281850620481
],
[
4.69367989417407,
1.7880525191629133,
1.8137737970111585
],
[
0,
-1.4287911577238857,
0
],
[
0.6293989864935595,
-1.7116328984284288,
3.0044443487783528
],
[
3.1877805985700327,
-... | [
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Cd",
"Cd",
"Ni",
"Ni"
] | 0.012554 | -27.611911 |
agm003159241 | [
"Cd",
"Mg",
"Pt"
] | 3 | 3 | ABC | CdMgPt | [
[
2.993662164340417,
0,
0
],
[
0,
3.861256938031318,
0
],
[
-1.4968310821702084,
-1.930628469015659,
4.62683303713455
]
] | [
[
1.4968310821702082,
1.9306284690156588,
1.6984987483128395
],
[
-3.4338330723947303e-17,
-4.2255616759595093e-17,
2.964384628577188
],
[
1.4968310821702084,
1.930628469015659,
4.590782789915733
]
] | [
"Mg",
"Pt",
"Cd"
] | 0.08997 | -10.033802 |
agm003527415 | [
"Cd",
"Mg",
"Ru"
] | 11 | 3 | A8B2C | Cd2Mg8Ru | [
[
0,
4.72572641,
0
],
[
2.9404551377151282,
0,
-6.378331006828504
],
[
-7.677661472966274,
-2.362863205,
0
]
] | [
[
-4.251598810271391,
2.259142404230943e-17,
-3.755886017652181
],
[
0.32250978912040024,
2.362863205,
-5.757723418212625
],
[
-2.709325476270793,
2.362863205,
-5.031136543186167
],
[
-6.817124462068569,
2.3628632050000005,
-1.35256910048193
],
[
-... | [
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Cd",
"Cd",
"Ru"
] | 0.046124 | -24.361795 |
agm003412264 | [
"Cd",
"Mg",
"Sm"
] | 6 | 3 | A3B2C | CdMg3Sm2 | [
[
3.3564567,
0,
0
],
[
0,
5.2112209,
0
],
[
0,
0,
8.99756672
]
] | [
[
0,
2.60561045,
0.05261174180885759
],
[
0,
0,
4.44767619129806
],
[
1.67822835,
0,
7.486286286994508
],
[
1.67822835,
0,
1.493426201460326
],
[
1.67822835,
2.60561045,
5.999160721605529
],
[
1.67822835,
2.60561045,
3.01474... | [
"Sm",
"Sm",
"Mg",
"Mg",
"Mg",
"Cd"
] | 0.025475 | -16.08943 |
agm006066245 | [
"Cd",
"Mg",
"Tb"
] | 13 | 3 | A7B5C | Cd7Mg5Tb | [
[
-6.039282824815767,
0,
0
],
[
-3.0196414124078834,
-4.95130925032279,
-4.888282992727431
],
[
-3.0196414124078834,
-4.95130925032279,
4.888282992727431
]
] | [
[
-9.05892423722365,
-4.95130925032279,
-4.8825642882199
],
[
-4.53921414114244,
-7.39316856565683,
-2.4505813692611667
],
[
-7.539351508489093,
-7.39316856565683,
-2.4505813692611667
],
[
-4.539214141142439,
-2.509449934988751,
-2.4505813692611667
],
... | [
"Tb",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Cd",
"Cd",
"Cd",
"Cd",
"Cd",
"Cd",
"Cd"
] | 0.027986 | -20.849035 |
agm002165341 | [
"Cd",
"Na",
"S"
] | 10 | 3 | A2B2C | CdNa2S2 | [
[
0,
0,
6.502279902108624
],
[
6.95320468,
0,
0
],
[
-3.47660234,
5.386741123921847,
-3.251139951054312
]
] | [
[
-0.917761203770393,
1.5140821398599418,
2.18860337188652e-16
],
[
4.394363543770393,
3.8726589840619043,
3.2511399510543115
],
[
2.558841136229607,
3.8726589840619043,
3.1066403342752517e-17
],
[
0.9177612037703932,
1.5140821398599424,
3.2511399510543124... | [
"Na",
"Na",
"Na",
"Na",
"S",
"S",
"S",
"S",
"Cd",
"Cd"
] | 0.028902 | -32.467496 |
agm003642052 | [
"Cd",
"Nd",
"Tb"
] | 10 | 3 | A5B4C | Cd5Nd4Tb | [
[
3.83261164,
0,
0
],
[
0,
3.83261164,
0
],
[
0,
0,
19.23175303
]
] | [
[
0,
0,
0
],
[
0,
0,
3.7711961845567754
],
[
0,
0,
7.6646759322145614
],
[
0,
0,
11.567077097785438
],
[
0,
0,
15.460556845443225
],
[
1.91630582,
1.91630582,
1.7922272582063812
],
[
1.91630582,
1.91630582,
5... | [
"Tb",
"Nd",
"Nd",
"Nd",
"Nd",
"Cd",
"Cd",
"Cd",
"Cd",
"Cd"
] | 0.002332 | -31.445954 |
agm005658634 | [
"Cd",
"Nd",
"Tm"
] | 8 | 3 | A2BC | CdNd2Tm | [
[
5.20929712,
0,
0
],
[
0,
5.20929712,
0
],
[
0,
0,
8.98652288
]
] | [
[
0,
0,
4.49326144
],
[
2.60464856,
2.60464856,
4.49326144
],
[
0,
2.60464856,
6.986160810038554
],
[
2.60464856,
0,
2.000362069961447
],
[
0,
2.60464856,
1.9774637806066049
],
[
2.60464856,
0,
7.009059099393395
],
[
... | [
"Nd",
"Nd",
"Nd",
"Nd",
"Tm",
"Tm",
"Cd",
"Cd"
] | 0.017165 | -30.998633 |
agm003499919 | [
"Cd",
"Nd",
"Tm"
] | 18 | 3 | A6B2C | Cd2Nd6Tm | [
[
0.6204557964561821,
0,
-6.209950290551455
],
[
7.843521456672181,
5.855133745146093,
0
],
[
7.843521456672181,
-5.855133745146093,
0
]
] | [
[
7.273210635782744,
1.5028083711086202,
-3.1606868449143692
],
[
9.34451597224589,
1.502808371108621,
-6.154238590912813
],
[
9.034288074017796,
-1.5028083711086215,
-3.0492634456370857
],
[
6.962982737554653,
-1.5028083711086204,
-0.0557116996386416
],... | [
"Nd",
"Nd",
"Nd",
"Nd",
"Nd",
"Nd",
"Nd",
"Nd",
"Nd",
"Nd",
"Nd",
"Nd",
"Tm",
"Tm",
"Cd",
"Cd",
"Cd",
"Cd"
] | 0.075966 | -71.018037 |
agm005754324 | [
"Cd",
"O",
"S"
] | 6 | 3 | A4BC | CdO4S | [
[
5.350365639270985,
0,
0
],
[
0,
5.350365639270985,
0
],
[
-2.6751828196354923,
-2.6751828196354923,
3.9131053489728886
]
] | [
[
-2.220446049250313e-16,
2.675182819635492,
1.9565526744864443
],
[
2.675182819635492,
2.675182819635492,
0
],
[
1.7212274734181248,
1.8905373864083168,
0.8380096281603097
],
[
3.629138165852859,
3.459828252862667,
0.8380096281603094
],
[
0.784645... | [
"Cd",
"S",
"O",
"O",
"O",
"O"
] | 0.045722 | -32.846886 |
agm005853713 | [
"Cd",
"Pd",
"Rh"
] | 12 | 3 | A9B2C | Cd9PdRh2 | [
[
4.19687412,
0,
0
],
[
0,
4.19687412,
0
],
[
0,
0,
12.80753056
]
] | [
[
2.09843706,
2.09843706,
0
],
[
2.09843706,
2.09843706,
4.266784363932956
],
[
2.09843706,
2.09843706,
8.540746196067044
],
[
2.09843706,
0,
2.1659222209487803
],
[
2.09843706,
0,
6.40376528
],
[
2.09843706,
0,
10.641608339... | [
"Cd",
"Cd",
"Cd",
"Cd",
"Cd",
"Cd",
"Cd",
"Cd",
"Cd",
"Pd",
"Rh",
"Rh"
] | 0.041089 | -29.763448 |
agm005932040 | [
"Cd",
"Pd",
"Zr"
] | 8 | 3 | A4B3C | Cd3Pd4Zr | [
[
3.45390947,
0,
0
],
[
0,
3.45390947,
0
],
[
0,
0,
12.04270064
]
] | [
[
0,
0,
10.572964895902032
],
[
0,
0,
1.4697357440979677
],
[
0,
0,
4.521659923611115
],
[
0,
0,
7.521040716388884
],
[
1.726954735,
1.726954735,
0
],
[
1.726954735,
1.726954735,
3.0591459462329422
],
[
1.726954735,
... | [
"Pd",
"Pd",
"Pd",
"Pd",
"Zr",
"Cd",
"Cd",
"Cd"
] | 0.055854 | -35.906233 |
agm006111509 | [
"Cd",
"Pt",
"Ta"
] | 10 | 3 | A5B4C | CdPt5Ta4 | [
[
2.85217699,
0,
0
],
[
0,
2.85217699,
0
],
[
0,
0,
20.50592728
]
] | [
[
0,
0,
4.11702341399398
],
[
0,
0,
8.210147579861665
],
[
0,
0,
12.295779700138336
],
[
0,
0,
16.38890386600602
],
[
0,
0,
0
],
[
1.426088495,
1.426088495,
2.1933250550695305
],
[
1.426088495,
1.426088495,
6... | [
"Ta",
"Ta",
"Ta",
"Ta",
"Cd",
"Pt",
"Pt",
"Pt",
"Pt",
"Pt"
] | 0.011658 | -84.736838 |
agm002184108 | [
"Cd",
"Sc",
"Zn"
] | 4 | 3 | A2BC | CdSc2Zn | [
[
-3.4504467018622162,
-3.4504467018622162,
0
],
[
-3.4504467018622162,
0,
-3.4504467018622162
],
[
0,
-3.4504467018622162,
-3.4504467018622162
]
] | [
[
-1.7252233509311081,
-1.7252233509311077,
-1.7252233509311077
],
[
-5.175670052793325,
-5.175670052793325,
-5.175670052793325
],
[
0,
0,
0
],
[
-3.4504467018622162,
-3.4504467018622162,
-3.4504467018622162
]
] | [
"Sc",
"Sc",
"Zn",
"Cd"
] | 0.027511 | -16.08879 |
agm005605795 | [
"Cd",
"Sm",
"Tm"
] | 9 | 3 | A6B2C | Cd6Sm2Tm | [
[
0,
0,
-3.42475451
],
[
-4.3443768573379895,
-7.524681444135806,
0
],
[
-4.3443768573379895,
7.524681444135806,
0
]
] | [
[
-4.3443768573379895,
-2.5082271480452696,
0
],
[
-4.3443768573379895,
2.508227148045269,
0
],
[
0,
0,
0
],
[
-2.8712802524120575,
8.058110359504292e-16,
-1.712377255
],
[
-5.817473462263922,
-4.144927865755673e-16,
-1.712377255
],
[
... | [
"Sm",
"Sm",
"Tm",
"Cd",
"Cd",
"Cd",
"Cd",
"Cd",
"Cd"
] | 0.004265 | -22.268051 |
agm006083386 | [
"Cd",
"Sm",
"Zn"
] | 12 | 3 | A6B5C | Cd5Sm6Zn | [
[
-5.334430707278688,
0,
0
],
[
0,
0,
-7.623684088781824
],
[
2.667215353639344,
-8.009084826679201,
0
]
] | [
[
0,
0,
0
],
[
-2.6672153536393446,
-5.40407360284461,
-5.753254975388011
],
[
-2.6672153536393446,
-5.40407360284461,
-1.8704291133938118
],
[
-2.667215353639344,
0,
-1.8344223009688168
],
[
-2.667215353639344,
0,
-5.789261787813007
],
... | [
"Zn",
"Sm",
"Sm",
"Sm",
"Sm",
"Sm",
"Sm",
"Cd",
"Cd",
"Cd",
"Cd",
"Cd"
] | 0.008509 | -37.895151 |
agm002262863 | [
"Ce",
"Co",
"Pb"
] | 8 | 3 | A3B3C2 | Ce3Co2Pb3 | [
[
0,
4.8108097795045826,
0
],
[
0.597883968653685,
0,
-4.953260804475937
],
[
-8.246722121054422,
-2.4054048897522913,
0
]
] | [
[
-5.3177708858478,
-7.321702066056232e-17,
-4.767607883926414
],
[
0.2989419843268425,
2.4054048897522913,
-2.4766304022379684
],
[
-2.3310672665529353,
2.4054048897522913,
-0.1856529205495227
],
[
-4.436544308034152,
2.4054048897522917,
-3.99214894989909... | [
"Pb",
"Pb",
"Pb",
"Co",
"Co",
"Ce",
"Ce",
"Ce"
] | 0 | -46.0433 |
agm003735236 | [
"Ce",
"Co",
"Sn"
] | 12 | 3 | A4BC | Ce4CoSn | [
[
-1.9225975193371385,
0,
5.443799706570057
],
[
0,
-6.72510328,
0
],
[
8.250731749854788,
3.36255164,
0
]
] | [
[
3.4496188922310105,
3.357901068308139e-17,
4.348088849600712
],
[
0.7907053447200776,
-1.4684629530008764,
3.3975001117210404
],
[
0,
-1.523327959583903,
0
],
[
5.53742888579757,
1.8940886869991238,
2.0462995948490166
],
[
2.8785153382866406,
... | [
"Ce",
"Ce",
"Ce",
"Ce",
"Ce",
"Ce",
"Ce",
"Ce",
"Co",
"Co",
"Sn",
"Sn"
] | 0.042267 | -73.480615 |
agm006117407 | [
"Ce",
"Er",
"Ga"
] | 10 | 3 | A5B4C | CeEr4Ga5 | [
[
3.51407421,
0,
0
],
[
0,
3.51407421,
0
],
[
0,
0,
18.22597429
]
] | [
[
0,
0,
0
],
[
0,
0,
3.748705087005967
],
[
0,
0,
7.323426663777281
],
[
0,
0,
10.902547626222718
],
[
0,
0,
14.477269202994032
],
[
1.757037105,
1.757037105,
1.9710950126057176
],
[
1.757037105,
1.757037105,
... | [
"Ce",
"Er",
"Er",
"Er",
"Er",
"Ga",
"Ga",
"Ga",
"Ga",
"Ga"
] | 0.047814 | -44.886585 |
agm002389065 | [
"Ce",
"F",
"Te"
] | 6 | 3 | ABC | CeFTe | [
[
4.21962031,
0,
0
],
[
0,
4.21962031,
0
],
[
0,
0,
7.73454667
]
] | [
[
0,
2.109810155,
4.95814258224413
],
[
2.109810155,
0,
2.776404087755871
],
[
0,
2.109810155,
1.5410832093753557
],
[
2.109810155,
0,
6.193463460624645
],
[
0,
0,
0
],
[
2.109810155,
2.109810155,
0
]
] | [
"Te",
"Te",
"Ce",
"Ce",
"F",
"F"
] | 0.04006 | -36.909464 |
agm006097846 | [
"Ce",
"Fe",
"Ga"
] | 13 | 3 | A6B6C | CeFe6Ga6 | [
[
5.023266774251501,
0,
0
],
[
2.5116333871257503,
4.264130698696545,
4.344459584454882
],
[
2.5116333871257503,
-4.264130698696545,
4.344459584454882
]
] | [
[
0,
0,
0
],
[
5.023266774251501,
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5.67544933682206
],
[
5.023266774251501,
1.0745910560953639e-17,
3.0134698320877042
],
[
7.534900161377251,
-1.3688237344795815,
4.344459584454882
],
[
2.5116333871257503,
1.36882373447... | [
"Ce",
"Ga",
"Ga",
"Ga",
"Ga",
"Ga",
"Ga",
"Fe",
"Fe",
"Fe",
"Fe",
"Fe",
"Fe"
] | 0 | -78.60573 |
agm005879656 | [
"Ce",
"Fe",
"Ge"
] | 6 | 3 | A3B2C | CeFe3Ge2 | [
[
0,
0,
-3.80456531
],
[
-2.6427035828492467,
-4.5772968748392024,
0
],
[
-2.6427035828492467,
4.5772968748392024,
0
]
] | [
[
0,
0,
0
],
[
-2.6427035828492462,
4.440892098500626e-16,
-1.902282655
],
[
-1.3213517914246233,
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],
[
-1.3213517914246233,
2.2886484374196003,
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],
[
-2.6427035828492467,
1.5257656249464016,
0
... | [
"Ce",
"Fe",
"Fe",
"Fe",
"Ge",
"Ge"
] | 0.09589 | -42.333644 |
mp-1210979 | [
"Ce",
"Ga",
"Li"
] | 12 | 3 | A8B3C | CeGa8Li3 | [
[
0,
0,
-3.04413348
],
[
-4.58039766172409,
-7.933481468975807,
0
],
[
-4.58039766172409,
7.933481468975807,
0
]
] | [
[
-4.58039766172409,
0,
0
],
[
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0
],
[
-2.290198830862045,
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0
],
[
0,
0,
0
],
[
-4.58039766172409,
-2.6444938229919357,
-1.52206674
],
[
-4.5803976617240885,
2.64449382... | [
"Li",
"Li",
"Li",
"Ce",
"Ga",
"Ga",
"Ga",
"Ga",
"Ga",
"Ga",
"Ga",
"Ga"
] | 0.066572 | -39.423328 |
agm005900416 | [
"Ce",
"Ga",
"Mg"
] | 8 | 3 | A5B2C | Ce5GaMg2 | [
[
4.573441215466307,
0,
0
],
[
0,
4.573441215466307,
0
],
[
-2.2867206077331534,
-2.2867206077331534,
9.781763055338669
]
] | [
[
2.2867206077331534,
2.2867206077331534,
0
],
[
-1.0222361152142204e-16,
2.2867206077331534,
7.471645157964166
],
[
2.2867206077331534,
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7.471645157964166
],
[
2.2867206077331534,
5.4670555798660833e-17,
2.3101178973745027
],
[... | [
"Ce",
"Ce",
"Ce",
"Ce",
"Ce",
"Mg",
"Mg",
"Ga"
] | 0.04752 | -36.711138 |
agm005660008 | [
"Ce",
"Ge",
"Pt"
] | 18 | 3 | A4B3C2 | Ce2Ge4Pt3 | [
[
-5.80243186756535,
0,
0
],
[
0,
0,
-7.71737478
],
[
2.901215933782675,
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0
]
] | [
[
3.5430043472845236e-16,
-1.663093453300657,
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],
[
-2.901215933782675,
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-4.536183605657797
],
[
7.88215406435532e-17,
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-7.039878564342203
],
[
-2.901215933782675,
-1.6630934533006563,
-0.67749621565... | [
"Ce",
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"Ce",
"Ce",
"Ge",
"Ge",
"Ge",
"Ge",
"Ge",
"Ge",
"Ge",
"Ge",
"Pt",
"Pt",
"Pt",
"Pt",
"Pt",
"Pt"
] | 0.076494 | -111.656966 |
agm005906474 | [
"Ce",
"Ge",
"Si"
] | 16 | 3 | A5B2C | Ce5GeSi2 | [
[
7.763865233962766,
0,
0
],
[
0,
7.763865233962766,
0
],
[
-3.881932616981383,
-3.881932616981383,
6.485328067552603
]
] | [
[
1.3937913302748919,
2.48814128670649,
4.504610623001815
],
[
5.275723947256273,
6.3700739036878735,
1.9807174445507896
],
[
0,
0,
0
],
[
3.8819326169813824,
3.8819326169813824,
0
],
[
-1.3937913302748914,
-2.488141286706491,
4.50461062300... | [
"Ce",
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"Ce",
"Ce",
"Ce",
"Ce",
"Ce",
"Ce",
"Ce",
"Ce",
"Si",
"Si",
"Si",
"Si",
"Ge",
"Ge"
] | 0 | -99.532413 |
agm005896955 | [
"Ce",
"Hg",
"Sr"
] | 10 | 3 | A3BC | CeHg3Sr | [
[
-3.8444331581816606,
0,
0
],
[
0,
0,
-5.01729633
],
[
1.9222165790908303,
-15.084427584902851,
0
]
] | [
[
-1.92221657909083,
-12.789259824296026,
-1.2543240825000006
],
[
2.2347814805926853e-16,
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-3.7629722474999996
],
[
8.472381859270639e-18,
-6.3586264003883635,
-1.2543240825000006
],
[
-1.9222165790908305,
-8.725801184514488,
-3.762972... | [
"Sr",
"Sr",
"Ce",
"Ce",
"Hg",
"Hg",
"Hg",
"Hg",
"Hg",
"Hg"
] | 0.047565 | -20.934462 |
agm006005414 | [
"Ce",
"Ho",
"Pb"
] | 8 | 3 | A4B3C | Ce3HoPb4 | [
[
5.082581040961882,
0,
0
],
[
0,
5.082581040961882,
0
],
[
-2.541290520480941,
-2.541290520480941,
9.045801258486573
]
] | [
[
3.4805247192006304e-16,
2.541290520480941,
6.819268279470763
],
[
2.541290520480941,
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2.2265329790158095
],
[
-2.5425225850078235e-17,
2.541290520480941,
2.2265329790158095
],
[
2.541290520480941,
-9.603673792999957e-17,
6.8192682... | [
"Pb",
"Pb",
"Pb",
"Pb",
"Ho",
"Ce",
"Ce",
"Ce"
] | 0.034528 | -40.424929 |
agm003629940 | [
"Ce",
"Ho",
"Pt"
] | 4 | 3 | A2BC | CeHoPt2 | [
[
0,
-3.7624501483950383,
0
],
[
-4.50612659,
0,
0
],
[
0,
1.8812250741975192,
-5.349498980784978
]
] | [
[
0,
-1.8812250741975192,
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],
[
-2.253063295,
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],
[
-2.253063295,
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-3.0587833353493146
],
[
0,
-4.3781906615634175e-16,
-5.02297679694572
]
] | [
"Ce",
"Ho",
"Pt",
"Pt"
] | 0 | -27.417739 |
agm005560130 | [
"Ce",
"Ho",
"Pt"
] | 14 | 3 | A3B2C2 | Ce2Ho2Pt3 | [
[
4.391158489986467,
4.391158489986467,
4.391158489986467
],
[
4.391158489986467,
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-4.391158489986467
],
[
-4.391158489986467,
4.391158489986467,
-4.391158489986467
]
] | [
[
2.7354193557004343,
1.6557391342860333,
-1.6557391342860333
],
[
1.6557391342860335,
1.6557391342860335,
-7.126577845686901
],
[
2.735419355700434,
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-2.7354193557004343
],
[
6.046897624272502,
2.735419355700434,
-1.6557391342860333
]... | [
"Ce",
"Ce",
"Ce",
"Ce",
"Ho",
"Ho",
"Ho",
"Ho",
"Pt",
"Pt",
"Pt",
"Pt",
"Pt",
"Pt"
] | 0.037844 | -92.672085 |
agm005621339 | [
"Ce",
"In",
"Pd"
] | 9 | 3 | A6B2C | Ce6In2Pd | [
[
0,
0,
-2.986900540000617
],
[
-4.535656667560748,
-7.855987793903757,
0
],
[
-4.535656667560748,
7.855987793903757,
0
]
] | [
[
-6.23329998175886,
4.0635895375630226e-16,
-1.4934502700003085
],
[
-2.838013353362638,
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],
[
-5.954663344242067,
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-1.4934502700003085
],
[
-1.4190066766813187,
-2.4577916602915066,
-1.49345027... | [
"Ce",
"Ce",
"Ce",
"Ce",
"Ce",
"Ce",
"In",
"In",
"Pd"
] | 0.086959 | -48.557525 |
agm003434599 | [
"Ce",
"In",
"Rh"
] | 6 | 3 | A3B2C | CeIn2Rh3 | [
[
-2.3739260140741605,
-4.111760469785915,
0
],
[
-2.3739260140741605,
4.111760469785915,
0
],
[
0,
0,
-5.66136142
]
] | [
[
0,
0,
0
],
[
-2.373926014074161,
1.3705868232619718,
-3.801395345907216
],
[
-2.3739260140741605,
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-1.8599660740927844
],
[
0,
0,
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],
[
-2.373926014074161,
1.3705868232619718,
-1.057110577834111
],
[
... | [
"Ce",
"In",
"In",
"Rh",
"Rh",
"Rh"
] | 0.025535 | -36.896029 |
agm002325788 | [
"Ce",
"In",
"Zn"
] | 9 | 3 | ABC | CeInZn | [
[
-4.47400985,
0,
0
],
[
0,
0,
-7.4599203497639035
],
[
0,
-6.467546458580626,
3.7299601748819518
]
] | [
[
-2.237004925,
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3.72943462349331
],
[
0,
-4.310107161587142,
0.0025994465454783127
],
[
0,
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-3.727360728336474
],
[
-2.237004925,
-2.682619138813476,
-5.912305564985234
],
[
-2.237004925,
-6.4675464585806... | [
"Zn",
"Zn",
"Zn",
"Ce",
"Ce",
"Ce",
"In",
"In",
"In"
] | 0.034711 | -32.592557 |
agm005652191 | [
"Ce",
"La",
"Rh"
] | 12 | 3 | ABC | CeLaRh | [
[
0,
-5.143579314794363,
0
],
[
-7.48706557700199,
0,
0
],
[
0,
0,
-8.122049560000086
]
] | [
[
-7.45393381441064,
-1.2858948286985907,
-1.388472007008601
],
[
-3.7104010259096456,
-1.2858948286985907,
-2.672552772991442
],
[
-0.03313176259134934,
-3.8576844860957724,
-6.733577552991485
],
[
-3.776664551092344,
-3.8576844860957724,
-5.4494967870086... | [
"La",
"La",
"La",
"La",
"Ce",
"Ce",
"Ce",
"Ce",
"Rh",
"Rh",
"Rh",
"Rh"
] | 0.040055 | -79.142005 |
agm002156508 | [
"Ce",
"Li",
"O"
] | 12 | 3 | A3B2C | CeLi2O3 | [
[
5.264606533442345,
0,
0
],
[
1.1471647085270302,
0,
-5.503843457057368
],
[
2.6323032667211725,
5.0781105026716595,
0
]
] | [
[
4.962582179927915,
0.7505766228288268,
-3.8214338727937904
],
[
7.021303092385572,
4.327533879842833,
-1.0695121442651059
],
[
2.287253973755341,
2.4251935021771893,
-3.9871383629475896
],
[
4.7655494823322755,
4.401840601300799,
-4.22812613009849
],
... | [
"O",
"O",
"O",
"O",
"O",
"O",
"Ce",
"Ce",
"Li",
"Li",
"Li",
"Li"
] | 0.049383 | -80.497934 |
agm005759443 | [
"Ce",
"N",
"Re"
] | 20 | 3 | A3BC | CeN3Re | [
[
0,
0,
5.49189664
],
[
5.63510721,
0,
0
],
[
0,
7.79165538,
0
]
] | [
[
3.0993306043116866,
1.947913845,
2.7040308147865697
],
[
5.353330210688314,
5.8437415349999995,
5.449979134786569
],
[
2.5357766056883135,
5.8437415349999995,
2.7878658252134305
],
[
0.28177699931168654,
1.947913845,
0.04191750521343062
],
[
0,
... | [
"Ce",
"Ce",
"Ce",
"Ce",
"Re",
"Re",
"Re",
"Re",
"N",
"N",
"N",
"N",
"N",
"N",
"N",
"N",
"N",
"N",
"N",
"N"
] | 0 | -188.802913 |
agm006133354 | [
"Ce",
"Na",
"P"
] | 10 | 3 | A5B4C | Ce4NaP5 | [
[
4.1223840213164396,
0,
0
],
[
0,
5.745023936658489,
0
],
[
-2.0611920106582198,
-2.8725119683292446,
10.334287505148712
]
] | [
[
0,
0,
0
],
[
1.02193828335902e-16,
-1.4687839946592354e-16,
8.330696822254115
],
[
2.0611920106582198,
2.8725119683292446,
6.180550647791001
],
[
-1.984353040549149e-17,
-7.353259198475186e-17,
4.15373685735771
],
[
2.0611920106582198,
2.8725... | [
"Na",
"Ce",
"Ce",
"Ce",
"Ce",
"P",
"P",
"P",
"P",
"P"
] | 0.069622 | -64.185046 |
agm005612781 | [
"Ce",
"Ni",
"Pr"
] | 9 | 3 | A6B2C | CeNi6Pr2 | [
[
0,
0,
-3.834287760000548
],
[
-3.5413063893651993,
-6.133722591548818,
0
],
[
-3.5413063893651993,
6.133722591548818,
0
]
] | [
[
0,
0,
0
],
[
-3.5413063893651993,
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0
],
[
-3.541306389365198,
2.0445741971829396,
0
],
[
-2.3395382854236035,
1.120771423669209e-16,
-1.917143880000274
],
[
-4.7430744933067945,
9.512127255310614e-17,
-1.917143880000274... | [
"Ce",
"Pr",
"Pr",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni"
] | 0.064341 | -52.742309 |
agm002186821 | [
"Ce",
"Ni",
"Si"
] | 10 | 3 | A3BC | CeNiSi3 | [
[
3.992429094784316,
0,
0
],
[
0,
4.014022,
0
],
[
-1.95092325927967,
0,
10.584102725594892
]
] | [
[
0.0855105467562386,
2.007011,
8.266354103538356
],
[
1.9559952887484073,
2.007011,
2.317748622056536
],
[
0.01889882470941281,
2.007011,
5.955200330049113
],
[
2.1297185408507584,
0,
1.1749550029018339
],
[
2.0226070107952334,
2.007011,
4... | [
"Ni",
"Ni",
"Si",
"Si",
"Si",
"Si",
"Si",
"Si",
"Ce",
"Ce"
] | 0.00937 | -62.503162 |
agm003302220 | [
"Ce",
"Ni",
"V"
] | 19 | 3 | A15B2C2 | Ce2Ni15V2 | [
[
4.145640832857221,
2.3934868508136207,
4.097897126131173
],
[
-4.145640832857221,
2.3934868508136207,
4.097897126131173
],
[
0,
-4.786973701627241,
4.097897126131173
]
] | [
[
4.4558129075361164e-17,
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4.206408089725075
],
[
-4.4558129075361164e-17,
5.457139441707851e-16,
8.087283288668443
],
[
2.3423619254535934e-16,
-3.701457680430474e-16,
1.094984461580769
],
[
-3.7449440277003635e-16,
-2.0952029542363354... | [
"Ce",
"Ce",
"V",
"V",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni"
] | 0.054635 | -121.615978 |
agm006028316 | [
"Ce",
"Ni",
"Zn"
] | 14 | 3 | A4B2C | CeNi2Zn4 | [
[
0,
0,
4.13235342
],
[
7.30376693,
0,
0
],
[
0,
7.30376693,
0
]
] | [
[
0,
0,
2.06617671
],
[
3.6518834649999996,
3.6518834649999996,
0
],
[
0.6453290745486545,
2.5055920843047574,
0
],
[
6.658437855451345,
4.798174845695243,
0
],
[
1.1462913806952424,
4.297212539548655,
2.06617671
],
[
6.157475549304... | [
"Ce",
"Ce",
"Zn",
"Zn",
"Zn",
"Zn",
"Zn",
"Zn",
"Zn",
"Zn",
"Ni",
"Ni",
"Ni",
"Ni"
] | 0 | -49.68022 |
agm005826556 | [
"Ce",
"O",
"Se"
] | 10 | 3 | A2B2C | Ce2O2Se | [
[
4.9746558323056265,
3.8620872056678284,
0
],
[
-4.9746558323056265,
3.8620872056678284,
0
],
[
0.007470632808740163,
-3.8620872056678284,
5.194549386622042
]
] | [
[
0.7059003441023293,
4.831043290890679,
1.2951031310893346
],
[
-1.777692255646114,
2.893131120444978,
3.8923778244003557
],
[
1.7851628884548543,
0.9689560852228509,
1.3021715622216865
],
[
-0.6984297112935887,
-0.9689560852228507,
3.8994462555327076
]... | [
"Ce",
"Ce",
"Ce",
"Ce",
"Se",
"Se",
"O",
"O",
"O",
"O"
] | 0.096556 | -79.36731 |
agm003410770 | [
"Ce",
"Pb",
"Sn"
] | 6 | 3 | A3B2C | Ce3Pb2Sn | [
[
-2.791582006457468,
-4.835161868679404,
0
],
[
-2.791582006457468,
4.835161868679404,
0
],
[
0,
0,
-6.6217502
]
] | [
[
0,
0,
-3.3108751
],
[
-2.7915820064574683,
1.6117206228931342,
-0.8801312521830401
],
[
-2.791582006457468,
-1.6117206228931344,
-5.74161894781696
],
[
0,
0,
0
],
[
-2.7915820064574683,
1.6117206228931342,
-4.248973153433839
],
[
... | [
"Ce",
"Ce",
"Ce",
"Sn",
"Pb",
"Pb"
] | 0.089407 | -31.580646 |
agm006039443 | [
"Ce",
"Pd",
"Sb"
] | 20 | 3 | A15B4C | CePd15Sb4 | [
[
4.09813296,
0,
0
],
[
0,
4.09813296,
0
],
[
0,
0,
20.16400006
]
] | [
[
0,
0,
0
],
[
0,
0,
4.110548968351349
],
[
0,
0,
8.084243658455474
],
[
0,
0,
12.079756401544524
],
[
0,
0,
16.05345109164865
],
[
2.04906648,
2.04906648,
0
],
[
2.04906648,
2.04906648,
4.104691326333919
]... | [
"Ce",
"Sb",
"Sb",
"Sb",
"Sb",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd"
] | 0.051839 | -109.362554 |
agm006115342 | [
"Ce",
"Pr",
"Sn"
] | 10 | 3 | A5B4C | Ce4PrSn5 | [
[
3.51052596,
0,
0
],
[
0,
3.51052596,
0
],
[
0,
0,
22.64160022
]
] | [
[
0,
0,
4.58842126611998
],
[
0,
0,
9.078933913240618
],
[
0,
0,
13.562666306759382
],
[
0,
0,
18.05317895388002
],
[
0,
0,
0
],
[
1.75526298,
1.75526298,
2.3225748977355947
],
[
1.75526298,
1.75526298,
6.832... | [
"Ce",
"Ce",
"Ce",
"Ce",
"Pr",
"Sn",
"Sn",
"Sn",
"Sn",
"Sn"
] | 0.038836 | -54.595625 |
agm001121442 | [
"Ce",
"Ru",
"Sc"
] | 4 | 3 | A2BC | CeRuSc2 | [
[
3.23719431,
0,
0
],
[
0,
3.23719431,
0
],
[
0,
0,
8.49237595
]
] | [
[
0,
0,
6.96131402435769
],
[
0,
0,
1.5310619256423093
],
[
1.618597155,
1.618597155,
0
],
[
1.618597155,
1.618597155,
4.246187975
]
] | [
"Sc",
"Sc",
"Ru",
"Ce"
] | 0.057387 | -29.096626 |
agm003681169 | [
"Ce",
"Ru",
"Zn"
] | 14 | 3 | A8B5C | Ce8Ru5Zn | [
[
4.382044073622796,
4.382044073622796,
4.208426093618581
],
[
-4.382044073622796,
-4.382044073622796,
4.208426093618581
],
[
4.382044073622796,
-4.382044073622796,
-4.208426093618581
]
] | [
[
-2.8326862842274108,
-3.835766058220251,
2.7592419850870034
],
[
0.5462780154025471,
-1.5493577893953863,
1.4491841085315775
],
[
0.4850849609364414,
-2.64194177764167,
4.780629334621873
],
[
1.7401022959811274,
-4.8671290345592375,
-0.5722032410032938
... | [
"Ce",
"Ce",
"Ce",
"Ce",
"Ce",
"Ce",
"Ce",
"Ce",
"Zn",
"Ru",
"Ru",
"Ru",
"Ru",
"Ru"
] | 0.053912 | -99.264056 |
agm005710851 | [
"Ce",
"S",
"Y"
] | 16 | 3 | A8B5C3 | Ce3S8Y5 | [
[
-3.95002255565713,
-6.841639757441212,
0
],
[
-7.90004511131426,
0,
0
],
[
-3.95002255565713,
-2.2805465858137373,
-6.487161441600329
]
] | [
[
-5.925033833485694,
-1.1402732929068697,
-3.243580720800166
],
[
-5.925033833485696,
-7.98191305034808,
-3.243580720800166
],
[
-11.85006766697139,
-4.5610931716274745,
-3.2435807208001672
],
[
-3.9500225556571302,
-4.596465213528975e-16,
-7.202195996925... | [
"Ce",
"Ce",
"Ce",
"Y",
"Y",
"Y",
"Y",
"Y",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S"
] | 0.000021 | -115.50676 |
agm001146051 | [
"Ce",
"Sc",
"Tb"
] | 4 | 3 | A2BC | CeScTb2 | [
[
3.45886382,
0,
0
],
[
0,
3.45886382,
0
],
[
0,
0,
9.83275859
]
] | [
[
1.72943191,
1.72943191,
0
],
[
0,
0,
7.442378497236631
],
[
0,
0,
2.3903800927633685
],
[
1.72943191,
1.72943191,
4.916379295
]
] | [
"Sc",
"Tb",
"Tb",
"Ce"
] | 0.083245 | -21.198501 |
agm005965828 | [
"Ce",
"Se",
"Te"
] | 10 | 3 | A2B2C | Ce2SeTe2 | [
[
-4.502871130191268,
0,
0
],
[
0,
0,
-8.17327525
],
[
2.251435565095634,
-9.004588925520991,
0
]
] | [
[
-2.251435565095634,
-0.9316535800126717,
-3.5293524965435448
],
[
4.151192330892835e-17,
-3.3226350538269,
-8.092063788995443
],
[
-2.251435565095634,
-5.681953871694091,
-4.005426163995444
],
[
-1.857325472021351e-16,
-8.07293534550832,
-7.6159901215435... | [
"Ce",
"Ce",
"Ce",
"Ce",
"Te",
"Te",
"Te",
"Te",
"Se",
"Se"
] | 0.075977 | -57.886093 |
agm006047794 | [
"Ce",
"Se",
"Tl"
] | 13 | 3 | A8B4C | Ce4Se8Tl | [
[
-7.427527561022218,
-4.294258820609585,
0
],
[
7.427527561022218,
-4.294258820609585,
0
],
[
0.11595889450732422,
4.294258820609585,
7.690240164290051
]
] | [
[
-3.0647266888966224e-16,
-2.124867886693575,
0
],
[
-3.437718438175203e-16,
-6.463649754525594,
0
],
[
-3.6134601197867506,
-1.48227870147006e-15,
7.473069089391327
],
[
3.7294190142940753,
-4.294258820609585,
0.21717107489872373
],
[
3.771743227... | [
"Ce",
"Ce",
"Ce",
"Ce",
"Tl",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se"
] | 0.050927 | -73.524976 |
agm005848595 | [
"Ce",
"Tl",
"Tm"
] | 8 | 3 | A5B2C | CeTl5Tm2 | [
[
3.9588818265894457,
3.9588818265894457,
3.5737758355015967
],
[
-3.9588818265894457,
-3.9588818265894457,
3.5737758355015967
],
[
3.9588818265894457,
-3.9588818265894457,
-3.5737758355015967
]
] | [
[
3.9588818265894457,
-3.9588818265894457,
-1.9894506757152965
],
[
3.9588818265894457,
2.220446049250313e-16,
1.5889086702463635
],
[
-2.220446049250313e-16,
-3.9588818265894457,
1.5889086702463635
],
[
1.9810277914860936,
-5.936735861692798,
-0.198467353... | [
"Ce",
"Tm",
"Tm",
"Tl",
"Tl",
"Tl",
"Tl",
"Tl"
] | 0.068651 | -28.295183 |
agm2000143437 | [
"Cl",
"Cr",
"Pt"
] | 8 | 3 | A6BC | Cl6CrPt | [
[
-3.079624207489124,
-5.334065595590201,
0
],
[
-3.079624207489124,
5.334065595590201,
0
],
[
0,
0,
-17.70980546
]
] | [
[
0,
0,
-8.85490273
],
[
-3.0796242074891245,
1.7780218651967332,
-8.85490273
],
[
-1.055334677517543,
1.6201656702025877,
-7.500000072536386
],
[
-4.228476447484595,
0.10386380512355675,
-7.500000072536386
],
[
-3.955061497465234,
3.6100361202... | [
"Cr",
"Pt",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl"
] | 0.080791 | -32.261726 |
agm003350353 | [
"Cs",
"F",
"Mg"
] | 12 | 3 | A7B3C2 | Cs3F7Mg2 | [
[
0,
0,
4.20412925
],
[
4.24788383,
0,
0
],
[
-2.123941915,
12.3164411,
0
]
] | [
[
2.123941915,
0,
2.102064625
],
[
2.1239419149999996,
4.359970760471188,
2.102064625
],
[
-2.6446026815838776e-17,
7.956470339528813,
2.102064625
],
[
2.123941915,
10.209710154912669,
0
],
[
-3.413005961095906e-17,
2.1067309450873313,
0
... | [
"Cs",
"Cs",
"Cs",
"Mg",
"Mg",
"F",
"F",
"F",
"F",
"F",
"F",
"F"
] | 0.04281 | -56.194336 |
agm2000143451 | [
"Cl",
"Cr",
"Zn"
] | 8 | 3 | A6BC | Cl6CrZn | [
[
-3.0840164064081215,
-5.341673107274853,
0
],
[
-3.0840164064081215,
5.341673107274853,
0
],
[
0,
0,
-17.69488022
]
] | [
[
-3.084016406408122,
1.7805577024249513,
-8.84744011
],
[
0,
0,
-8.84744011
],
[
-1.028731220103572,
1.5654782260974696,
-7.500000107976911
],
[
-4.2979232898926485,
0.10816825722711985,
-7.500000107976911
],
[
-3.925394709228143,
3.6680266239... | [
"Zn",
"Cr",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl"
] | 0.077966 | -29.36816 |
agm003741069 | [
"Cl",
"Cu",
"La"
] | 12 | 3 | A4BC | Cl4CuLa | [
[
4.480736480620861,
4.480736480620861,
4.120474421112689
],
[
-4.480736480620861,
-4.480736480620861,
4.120474421112689
],
[
4.480736480620861,
-4.480736480620861,
-4.120474421112689
]
] | [
[
0,
0,
0
],
[
0,
-4.480736480620861,
2.0602372105563447
],
[
4.480736480620861,
-4.440892098500626e-16,
2.0602372105563447
],
[
0,
0,
4.120474421112689
],
[
2.8128192021709806,
-2.8266340827812127e-16,
0.47215737621864606
],
[
6.14... | [
"La",
"La",
"Cu",
"Cu",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl"
] | 0.04668 | -53.343943 |
agm003657338 | [
"Cl",
"Dy",
"Ir"
] | 10 | 3 | A5B4C | Cl5Dy4Ir | [
[
0,
3.90346912,
0
],
[
1.172467138853442,
0,
-8.22571354770876
],
[
-9.457817509492758,
-1.95173456,
0
]
] | [
[
-2.7209634254143906,
1.9517345599999996,
-0.48983597730938705
],
[
0.14523247060076716,
-6.729302279723056e-19,
-1.8413807609068342
],
[
-5.564386945224927,
-4.076538317125369e-17,
-7.735877570399373
],
[
-8.430582841240085,
1.9517345599999998,
-6.384332... | [
"Dy",
"Dy",
"Dy",
"Dy",
"Ir",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl"
] | 0.044274 | -53.603801 |
agm005677966 | [
"Cl",
"F",
"Na"
] | 8 | 3 | A2BC | ClFNa2 | [
[
4.227519667363969,
0,
0
],
[
0,
4.227519667363969,
0
],
[
0,
0,
8.535639925405174
]
] | [
[
0,
2.1137598336819843,
7.239735257494769
],
[
0,
0,
4.267819962702587
],
[
2.1137598336819843,
0,
1.2959046679104054
],
[
2.1137598336819843,
2.1137598336819843,
4.267819962702587
],
[
2.1137598336819843,
0,
7.07377185975396
],
[
... | [
"Na",
"Na",
"Na",
"Na",
"Cl",
"Cl",
"F",
"F"
] | 0.045197 | -30.495917 |
agm005967199 | [
"Cl",
"Ge",
"Mg"
] | 12 | 3 | A8B3C | Cl8GeMg3 | [
[
-6.495315731404365,
-3.7502494350001174,
0
],
[
6.495315731404365,
-3.7502494350001174,
0
],
[
2.0436522247047577,
3.7502494350001174,
6.5605498280482
]
] | [
[
0,
-3.7502494350001174,
0
],
[
3.2476578657021826,
-5.625374152500176,
0
],
[
3.247657865702182,
-1.875124717500059,
0
],
[
0,
0,
0
],
[
2.1644566690686666,
-3.750249435000118,
1.3657849072113213
],
[
-0.1208044443639097,
-4.4... | [
"Mg",
"Mg",
"Mg",
"Ge",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl"
] | 0.017092 | -43.088478 |
agm001272879 | [
"Cl",
"I",
"Sr"
] | 3 | 3 | ABC | ClISr | [
[
-2.3165652943769954,
-4.012408788911709,
0
],
[
-2.3165652943769954,
4.012408788911709,
0
],
[
0,
0,
-6.90505164
]
] | [
[
0,
0,
-5.19780220399384
],
[
-2.3165652943769954,
-1.3374695963039034,
-0.23843143312920118
],
[
-2.316565294376996,
1.3374695963039027,
-1.4688180028769624
]
] | [
"I",
"Sr",
"Cl"
] | 0.033607 | -11.272557 |
agm002143485 | [
"Cl",
"I",
"Pb"
] | 6 | 3 | ABC | ClIPb | [
[
4.73420272,
0,
0
],
[
0,
4.73420272,
0
],
[
0,
0,
8.45516401
]
] | [
[
2.36710136,
0,
6.6082147706932775
],
[
0,
2.36710136,
1.8469492393067228
],
[
0,
2.36710136,
5.400126309510739
],
[
2.36710136,
0,
3.0550377004892617
],
[
0,
0,
0
],
[
2.36710136,
2.36710136,
0
]
] | [
"Pb",
"Pb",
"I",
"I",
"Cl",
"Cl"
] | 0.065007 | -19.258316 |
agm006116743 | [
"Cl",
"In",
"Mn"
] | 14 | 3 | A8B5C | Cl8In5Mn | [
[
4.571512439635566,
4.571512439635566,
5.771362388890797
],
[
4.571512439635566,
-4.571512439635566,
-5.771362388890797
],
[
-4.571512439635566,
4.571512439635566,
-5.771362388890797
]
] | [
[
-2.220446049250313e-16,
4.571512439635566,
-2.8856811944453984
],
[
6.862361324311105,
0.03756539773996643,
-1.3762988665692504
],
[
4.5339470418955985,
2.2908488846755386,
-4.3950635223215455
],
[
2.2806635549600283,
-0.037565397739968184,
-1.3762988665... | [
"Mn",
"In",
"In",
"In",
"In",
"In",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl"
] | 0.06888 | -49.601192 |
agm003513404 | [
"Cl",
"K",
"Pr"
] | 10 | 3 | A7B2C | Cl7KPr2 | [
[
0,
0,
-5.5125652
],
[
-4.407039862476372,
-7.045320907962362,
0
],
[
-4.407039862476372,
7.045320907962362,
0
]
] | [
[
0,
0,
0
],
[
-4.407039862476372,
2.78670031386587,
-2.7562826
],
[
-4.407039862476373,
-2.7867003138658712,
-2.7562826
],
[
-4.407039862476372,
3.0615873883722093,
0
],
[
-4.407039862476372,
-3.0615873883722093,
0
],
[
-7.15510373... | [
"K",
"Pr",
"Pr",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl"
] | 0.041643 | -45.645501 |
agm005713222 | [
"Cl",
"K",
"Sm"
] | 9 | 3 | A6B2C | Cl6KSm2 | [
[
4.52028008,
0,
0
],
[
0,
5.752693323686264,
5.110226497190989
],
[
0,
-5.752693323686264,
5.110226497190989
]
] | [
[
2.26014004,
-1.6230635802860182e-17,
0.7108037862863521
],
[
0,
1.8347365683093424,
4.371030139179447
],
[
0,
-1.8347365683093428,
4.371030139179446
],
[
2.26014004,
-1.8359226376585066e-16,
3.7894781363344534
],
[
2.26014004,
3.3990183713031... | [
"K",
"Sm",
"Sm",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl"
] | 0.088917 | -40.244938 |
agm005998589 | [
"Cl",
"K",
"Zn"
] | 15 | 3 | A8B6C | Cl8K6Zn | [
[
4.622331212969129,
2.6687041700913356,
6.033834407789994
],
[
-4.622331212969129,
2.6687041700913356,
6.033834407789994
],
[
0,
-5.337408340182671,
6.033834407789994
]
] | [
[
-1.9572784034503468,
-2.3181157293422294,
7.485562838297109
],
[
-2.986186312247837,
0.5359949549955331,
10.615940385072873
],
[
1.0289079087974877,
-2.8541106843377633,
10.615940385072875
],
[
-1.028907908797489,
2.854110684337762,
7.485562838297108
]... | [
"K",
"K",
"K",
"K",
"K",
"K",
"Zn",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl"
] | 0.075186 | -48.740637 |
agm002176266 | [
"Cl",
"O",
"Tl"
] | 6 | 3 | ABC | ClOTl | [
[
3.72373049,
0,
0
],
[
0,
4.31423375,
0
],
[
0,
0,
8.85564642
]
] | [
[
0,
0,
1.0773968059840744
],
[
1.861865245,
2.157116875,
7.778249614015925
],
[
1.861865245,
0,
8.494967984992531
],
[
0,
2.157116875,
0.3606784350074686
],
[
0,
2.157116875,
5.9074400226783705
],
[
1.861865245,
0,
2.948206... | [
"Tl",
"Tl",
"O",
"O",
"Cl",
"Cl"
] | 0.010366 | -22.452137 |
agm003769259 | [
"Cl",
"Os",
"Sr"
] | 8 | 3 | A6BC | Cl6OsSr | [
[
-3.26056326191976,
-5.647461230937532,
0
],
[
-6.52112652383952,
0,
0
],
[
-3.26056326191976,
-1.8824870769791775,
-5.976224051254052
]
] | [
[
-6.521126523839521,
-3.7649741539583554,
-2.9881120256270273
],
[
-6.52112652383952,
-1.4629747036809497e-16,
0
],
[
-5.178790060173402,
-1.6934151576824967,
-4.632302978105102
],
[
-5.398272039459492,
-5.9632511300573094,
-4.632302978105102
],
[
... | [
"Sr",
"Os",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl"
] | 0.057791 | -32.935537 |
agm006094147 | [
"Cl",
"Pr",
"Se"
] | 10 | 3 | A5B4C | ClPr5Se4 | [
[
0,
0,
-5.9978682006182575
],
[
-4.762570181845655,
-4.762570181845655,
-2.9989341003091288
],
[
-4.762570181845655,
4.762570181845655,
-2.9989341003091288
]
] | [
[
-3.809377479225611,
1.7554576511493258,
-2.994271477527332
],
[
-3.00711253069633,
-0.9531927026200432,
-5.99320557783646
],
[
-6.5180278329949815,
0.9531927026200436,
-5.99320557783646
],
[
-5.7157628844657,
-1.7554576511493263,
-8.99213967814559
],
... | [
"Pr",
"Pr",
"Pr",
"Pr",
"Pr",
"Se",
"Se",
"Se",
"Se",
"Cl"
] | 0.040216 | -57.115375 |
agm005790114 | [
"Cl",
"Sc",
"Sm"
] | 8 | 3 | A6BC | Cl6ScSm | [
[
-1.8187241128100524,
0,
6.246019622079278
],
[
-6.5159807073752845,
0,
0
],
[
-3.2579903536876422,
-6.270510509011813,
0
]
] | [
[
-4.167352410092668,
0,
3.123009811039639
],
[
0,
0,
0
],
[
-8.693901930817661,
-4.5286822682437355,
1.4525496515332512
],
[
-5.435911577130019,
-1.7418282407680774,
1.4525496515332512
],
[
-6.156783596742961,
-4.528682268243736,
4.7934699... | [
"Sm",
"Sc",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl"
] | 0.042691 | -39.357164 |
agm006100016 | [
"Cl",
"Sn",
"Te"
] | 16 | 3 | A4B3C | Cl4Sn3Te | [
[
0,
-7.386916920000128,
0
],
[
-8.15928793728734,
-3.693458460000064,
0
],
[
-2.6521059675410523,
-3.693458460000064,
-9.667830576310921
]
] | [
[
-6.639966611400128,
-9.119474774645496,
-2.9321551753496715
],
[
-3.886375626526984,
-5.6543590653547575,
-7.766070463505132
],
[
-4.6075333495263635,
-7.613984873521978,
-1.3689337758694777
],
[
-1.8539423646532198,
-7.159848966478276,
-6.20284906402493... | [
"Te",
"Te",
"Sn",
"Sn",
"Sn",
"Sn",
"Sn",
"Sn",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl"
] | 0.07413 | -57.185143 |
agm003270151 | [
"Co",
"Cs",
"Ge"
] | 6 | 3 | ABC | CoCsGe | [
[
4.03959157,
0,
0
],
[
0,
4.03959157,
0
],
[
0,
0,
12.20727682
]
] | [
[
0,
2.019795785,
9.504288973152507
],
[
2.019795785,
0,
2.7029878468474937
],
[
0,
2.019795785,
4.9342351247347755
],
[
2.019795785,
0,
7.273041695265225
],
[
0,
0,
6.10363841
],
[
2.019795785,
2.019795785,
6.10363841
]
] | [
"Cs",
"Cs",
"Ge",
"Ge",
"Co",
"Co"
] | 0.089926 | -25.502823 |
agm006092443 | [
"Co",
"Cu",
"Hf"
] | 12 | 3 | A6B5C | Co5CuHf6 | [
[
-1.4013103767614192,
0,
4.231233197463217
],
[
0,
-6.3953429036541625,
0
],
[
7.0559637974417155,
3.1976714518270812,
0
]
] | [
[
4.227239383597826,
-3.1976714518270812,
1.4061837535663715
],
[
1.4266401176323913,
-3.1976714518270817,
2.8253122034784073
],
[
7.055963797441715,
8.907636274956485e-17,
0
],
[
4.228013303047903,
1.0348306088833193e-16,
1.4059209939848099
],
[
1... | [
"Co",
"Co",
"Co",
"Co",
"Co",
"Hf",
"Hf",
"Hf",
"Hf",
"Hf",
"Hf",
"Cu"
] | 0.039205 | -103.520293 |
agm005913824 | [
"Co",
"Dy",
"Si"
] | 16 | 3 | A5B2C | Co2Dy5Si | [
[
7.4275645761055555,
0,
0
],
[
0,
7.4275645761055555,
0
],
[
-3.7137822880527778,
-3.7137822880527778,
6.570454517940587
]
] | [
[
-2.4683849693869364,
-1.2453973186658414,
4.722289278111649
],
[
1.2453973186658416,
2.468384969386937,
1.8481652398289383
],
[
3.7137822880527778,
3.7137822880527778,
0
],
[
0,
0,
0
],
[
2.468384969386937,
1.2453973186658414,
4.722289278... | [
"Dy",
"Dy",
"Dy",
"Dy",
"Dy",
"Dy",
"Dy",
"Dy",
"Dy",
"Dy",
"Co",
"Co",
"Co",
"Co",
"Si",
"Si"
] | 0.048428 | -90.460315 |
agm002205678 | [
"Co",
"Dy",
"Zn"
] | 5 | 3 | A2B2C | Co2Dy2Zn | [
[
4.085985155445418,
0,
0
],
[
2.042992577722709,
2.7345594385776435,
4.0806202555386095
],
[
2.042992577722709,
-2.7345594385776435,
4.0806202555386095
]
] | [
[
0,
0,
0
],
[
4.085985155445418,
-1.145320041682548,
4.0806202555386095
],
[
4.085985155445418,
1.145320041682548,
4.0806202555386095
],
[
6.128977733168128,
2.1645504252242226e-16,
5.786554198824644
],
[
2.042992577722709,
5.589562402609045e-... | [
"Zn",
"Co",
"Co",
"Dy",
"Dy"
] | 0 | -26.194398 |
agm005698009 | [
"Co",
"Er",
"Y"
] | 18 | 3 | A6B2C | Co2ErY6 | [
[
4.748276958505022,
5.034709097197157,
5.040734423194369
],
[
4.748276958505022,
-5.034709097197157,
-5.040734423194369
],
[
-4.748276958505022,
5.034709097197157,
-5.040734423194369
]
] | [
[
2.0084210597693377,
3.1830888964234982,
-5.040734423194369
],
[
2.739855898735684,
1.8516202007736586,
-5.844204583900539e-17
],
[
-2.008421059769338,
3.1830888964234982,
-5.040734423194369
],
[
6.75669801827436,
1.851620200773659,
1.6360255908602592e-16... | [
"Y",
"Y",
"Y",
"Y",
"Y",
"Y",
"Y",
"Y",
"Y",
"Y",
"Y",
"Y",
"Er",
"Er",
"Co",
"Co",
"Co",
"Co"
] | 0.076912 | -116.216724 |
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