pos listlengths 1 20 | cell listlengths 3 3 | atomic_numbers listlengths 1 20 | pbc listlengths 3 3 | ids stringlengths 4 18 | space_group stringclasses 179
values | chemical_system stringlengths 1 19 | 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 0.24 ⌀ | hhi_score float64 0 9.1k | ml_bulk_modulus float64 1.09 399 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
[
[
1.1211984299999997,
4.66859928242667,
1.0753281720452326
],
[
3.36359529,
2.490975296565896,
3.7748775624415836
],
[
1.1211984299999997,
2.460334393644436,
6.495045065495088
],
[
3.3635952899999997,
6.925186001531914,
3.010032827004257
],
[
3.363... | [
[
4.48479372,
0,
2.7461441370170755e-16
],
[
-4.383975045710002e-16,
7.159574578992566,
-3.594333695513185
],
[
0,
0,
8.44453943
]
] | [
58,
58,
58,
58,
58,
58,
51,
51,
44,
44
] | [
1,
1,
1
] | alex<agm003707427> | P2_1/m | Ce-Ru-Sb | 0.091278 | null | null | 0.019728 | 3,926.786675 | 82.258301 |
[
[
1.801874775,
1.801874775,
2.342553154581337
],
[
1.801874775,
1.801874775,
6.149763647031599
],
[
1.801874775,
1.801874775,
10.01500166
],
[
1.801874775,
1.801874775,
13.8802396729684
],
[
1.801874775,
1.801874775,
17.68745016541866
],
... | [
[
3.60374955,
0,
2.2066601756681072e-16
],
[
-2.2066601756681072e-16,
3.60374955,
2.2066601756681072e-16
],
[
0,
0,
20.03000332
]
] | [
20,
20,
20,
20,
20,
12,
31,
31,
31,
31
] | [
1,
1,
1
] | alex<agm003644676> | P4/mmm | Ca-Ga-Mg | 0.056913 | null | null | -0 | 1,673.260628 | 36.948692 |
[
[
2.723827735230705,
1.1534020633219721,
2.6432211037238855
],
[
0.05446406726651292,
2.3434623154246466,
3.2002202573413903
],
[
3.0568970608191997,
-2.914053648955515,
1.8332622546803687
],
[
3.737583300855941,
-0.5828107297911029,
0.11455153234139015
... | [
[
1.0819970120898887,
-4.662485838328824,
2.2757098759564838
],
[
4.78638608208618,
0,
-2.2757098759564838
],
[
-1.0819970120898887,
4.662485838328824,
3.8956275740435165
]
] | [
30,
30,
30,
30,
7,
7,
17,
17
] | [
1,
1,
1
] | alex<agm002861936> | I-42d | Cl-N-Zn | 0.01837 | null | null | 0.000001 | 1,712.563728 | 72.883469 |
[
[
4.440892098500626e-16,
2.9224234439399517,
-3.0778685156107585e-16
],
[
0,
0,
0
],
[
6.661338147750939e-16,
8.767270331819853,
8.881784197001252e-16
]
] | [
[
1.377643623138989,
3.8965645919199345,
2.3861487500000003
],
[
1.377643623138989,
3.8965645919199345,
-2.3861487499999994
],
[
-2.7552872462779776,
3.8965645919199345,
0
]
] | [
39,
46,
82
] | [
1,
1,
1
] | alex<agm002192684> | F-43m | Pb-Pd-Y | 0.046077 | null | null | 0 | 3,615.855255 | 83.384689 |
[
[
1.7901550500000003,
-1.3792544592575418,
2.3889388
],
[
0,
0,
0
],
[
3.5803101,
1.379254459257542,
2.3889388000000005
]
] | [
[
3.5803101,
0,
2.19230765195997e-16
],
[
-2.533649338109193e-16,
4.137763377772625,
2.388938800000001
],
[
2.533649338109193e-16,
-4.137763377772625,
2.388938799999999
]
] | [
39,
46,
82
] | [
1,
1,
1
] | alex<agm001262593> | P-6m2 | Pb-Pd-Y | 0.072508 | null | null | -0.000001 | 3,615.855255 | 79.060493 |
[
[
3.4718770724999994,
5.294103927159921,
1.2133318277166898
],
[
1.1572923575,
1.5643141528400784,
8.333443332283311
],
[
3.4718770724999994,
4.993523192840079,
5.986719407716689
],
[
1.1572923574999998,
1.8648948871599214,
3.560055752283311
],
[
3... | [
[
4.62916943,
0,
2.834548762580139e-16
],
[
-4.199569874443168e-16,
6.85841808,
4.199569874443168e-16
],
[
0,
0,
9.54677516
]
] | [
39,
39,
39,
39,
46,
46,
46,
46,
82,
82,
82,
82
] | [
1,
1,
1
] | alex<agm003609321> | Pnma | Pb-Pd-Y | 0.091875 | null | null | 0 | 3,615.855255 | 69.984932 |
[
[
3.5743587674999993,
3.6988672782058143,
2.3729034636637074
],
[
1.1914529224999995,
7.233877636794186,
6.439459958663708
],
[
1.1914529224999997,
3.5896293317941854,
5.760209526336294
],
[
3.5743587674999997,
0.0546189732058146,
1.6936530313362936
],
... | [
[
4.76581169,
0,
2.918218015748769e-16
],
[
-4.462917022016418e-16,
7.28849661,
4.462917022016418e-16
],
[
0,
0,
8.13311299
]
] | [
39,
39,
39,
39,
46,
46,
46,
46,
82,
82,
82,
82
] | [
1,
1,
1
] | alex<agm002245937> | Pnma | Pb-Pd-Y | 0.039553 | null | null | -0 | 3,615.855255 | 79.264114 |
[
[
-1.0468524466579518e-16,
1.7096397873849198,
13.777389556207115
],
[
-3.7678554208509054e-16,
6.15337487261508,
0.7703275137928849
],
[
-1.0468524466579518e-16,
1.7096397873849198,
8.044186048792884
],
[
-3.7678554208509054e-16,
6.15337487261508,
6.50353... | [
[
3.740452,
0,
2.2903662845821577e-16
],
[
-4.814707867508857e-16,
7.86301466,
4.814707867508857e-16
],
[
0,
0,
14.54771707
]
] | [
39,
39,
39,
39,
39,
39,
46,
46,
46,
46,
46,
46,
82,
82,
82,
82,
82,
82
] | [
1,
1,
1
] | alex<agm001019553> | Pmma | Pb-Pd-Y | 0.041096 | null | null | 0.00027 | 3,615.855255 | 74.791977 |
[
[
1.820085,
1.365406583976,
5.341500583976
],
[
1.8200849999999997,
2.6106874160239997,
1.3654065839760001
],
[
1.8200849999999997,
5.341500583976,
6.586781416024
],
[
1.8200849999999995,
6.5867814160239995,
2.610687416024
],
[
-1.825285496263793e-... | [
[
3.64017,
0,
2.2289612694261104e-16
],
[
-4.869310790208996e-16,
7.952188,
4.869310790208996e-16
],
[
0,
0,
7.952188
]
] | [
39,
39,
39,
39,
46,
46,
46,
46,
82,
82
] | [
1,
1,
1
] | mp-21508 | P4/mbm | Pb-Pd-Y | 0 | 0 | 82.492974 | 0.000054 | 4,245.183914 | 75.539848 |
[
[
-1.769044436791491,
-4.105905616123993,
-6.136022199917539
],
[
2.510251371350155,
-6.851653841980238,
-1.3308058863948642
],
[
1.5695020853302377,
-5.128193162509134,
-4.59384337881689
],
[
0.2539408869009658,
-1.5246736511486507,
-9.156935590354529
]... | [
[
5.34369227441292,
0,
-1.5406119464493326
],
[
0.6968889714007171,
-7.182478966842587,
2.417195466502926
],
[
-5.34369227441292,
0,
-8.497130653550666
]
] | [
20,
20,
20,
20,
20,
20,
20,
20,
12,
12,
31
] | [
1,
1,
1
] | alex<agm003530881> | C2/m | Ca-Ga-Mg | 0.055086 | null | null | 0.001261 | 1,452.795376 | 21.29377 |
[
[
1.7883080799999997,
2.6793976330469693,
1.3466031990088085
],
[
1.78830808,
1.5277925059196074,
5.209785346414163
],
[
-4.971199015025952e-17,
0.8118584098675788,
2.7684440746686665
],
[
-2.0790410670422679e-16,
3.395331729098998,
3.787944470754305
],
... | [
[
3.57661616,
0,
2.1900457660613488e-16
],
[
-2.576160968544863e-16,
4.207190138966577,
-1.2337770245770283
],
[
0,
0,
7.79016557
]
] | [
39,
39,
46,
46,
82
] | [
1,
1,
1
] | alex<agm002323446> | Cmmm | Pb-Pd-Y | 0.030826 | null | null | -0.000097 | 4,245.183914 | 78.01152 |
[
[
6.265048981348443e-16,
5.985363103966978,
7.153737885401412e-16
],
[
8.683639613800004e-16,
8.978044655950468,
7.771561172376096e-16
],
[
2.9343799074729736e-16,
2.992681551983487,
1.035898340995267e-15
],
[
0,
0,
0
]
] | [
[
1.410763612892938,
3.990242069311319,
2.4435142550000006
],
[
1.410763612892938,
3.990242069311319,
-2.4435142549999997
],
[
-2.8215272257858754,
3.990242069311319,
0
]
] | [
39,
46,
46,
82
] | [
1,
1,
1
] | mp-22712 | Fm-3m | Pb-Pd-Y | 0.006042 | 0 | 95.479437 | 0.000001 | 4,532.574949 | 89.530548 |
[
[
1.793736,
1.793736,
2.1966930509153767e-16
],
[
0,
0,
5.112720193449101
],
[
0,
0,
1.5626833265508993
],
[
1.793736,
1.793736,
3.33770176
]
] | [
[
3.587472,
0,
2.1966930509153767e-16
],
[
-2.1966930509153767e-16,
3.587472,
2.1966930509153767e-16
],
[
0,
0,
6.67540352
]
] | [
39,
46,
46,
82
] | [
1,
1,
1
] | alex<agm001123650> | P4/mmm | Pb-Pd-Y | 0.084971 | null | null | 0.000041 | 4,532.574949 | 81.048691 |
[
[
-2.3493735000000004,
-1.356411422651974,
-2.2501380500000003
],
[
-2.3493735,
1.3564114226519735,
-6.75041415
],
[
-2.3493735,
1.3564114226519735,
-0.8071775317874581
],
[
-2.3493735000000004,
-1.356411422651974,
-5.3074536317874585
],
[
-2.34937... | [
[
-2.3493735000000004,
-4.06923426795592,
-5.754305473553229e-16
],
[
-2.3493734999999996,
4.06923426795592,
2.8771527367766144e-16
],
[
0,
0,
-9.0005522
]
] | [
39,
39,
46,
46,
46,
46,
82,
82
] | [
1,
1,
1
] | alex<agm002323592> | P6_3/mmc | Pb-Pd-Y | 0.011845 | null | null | 0.00022 | 4,532.574949 | 95.023834 |
[
[
3.445080604552486,
1.1673791253511636,
0.4534503987657292
],
[
-0.2782589826232152,
3.6240633216638356,
0.44327739696462914
],
[
2.282836962960632,
3.453876134812668,
-0.9786175523068562
],
[
3.210699851012814,
1.2446570092280467,
-2.472724466139783
],... | [
[
5.347770974433476,
0,
-2.5964000430018124
],
[
-2.091214781305032,
4.925003417699454,
-2.600900013606404
],
[
0,
0,
5.95239298
]
] | [
39,
39,
46,
46,
46,
46,
46,
82
] | [
1,
1,
1
] | alex<agm003469534> | I4mm | Pb-Pd-Y | 0.095725 | null | null | 0 | 5,552.290326 | 101.582298 |
[
[
1.5487649254547865e-16,
-2.5293250699435896,
4.38091953
],
[
-1.548764925454786e-16,
2.529325069943589,
4.38091953
],
[
2.9459409999999995,
2.5293250699435887,
4.380919530000001
],
[
2.9459410000000004,
-2.52932506994359,
4.38091953
],
[
1.472970... | [
[
5.891882,
0,
3.607737216126953e-16
],
[
-4.646294776364358e-16,
7.587975209830767,
4.380919530000002
],
[
4.646294776364358e-16,
-7.587975209830767,
4.380919529999998
]
] | [
40,
40,
40,
40,
40,
40,
40,
40,
40,
40,
47,
47,
51,
51,
51,
51,
51,
51
] | [
1,
1,
1
] | mp-1190110 | P6_3/mcm | Ag-Sb-Zr | 0 | 0 | null | 0.000318 | 2,775.172421 | 104.197044 |
[
[
-2.470197272250751e-16,
4.034138290273732,
5.527736162162285
],
[
-1.6961914137714075e-16,
2.7700907967135704,
1.599312667162285
],
[
-1.2009953956954709e-32,
2.0493586654660804e-18,
4.6582216556754314
],
[
1.8961543399999998,
1.7481670322534903,
6.84754... | [
[
3.79230868,
0,
2.322119343170362e-16
],
[
-4.1663886860221584e-16,
6.804229086987302,
3.9284234950000014
],
[
4.1663886860221584e-16,
-6.804229086987302,
3.9284234949999988
]
] | [
40,
40,
40,
40,
40,
40,
47,
51,
51
] | [
1,
1,
1
] | alex<agm002247215> | P-62m | Ag-Sb-Zr | 0.044642 | null | null | -0.000001 | 2,672.740423 | 111.269035 |
[
[
-1.1410923862248113e-32,
-1.8358818460474107e-16,
2.6555212463941804
],
[
-1.4081900399167853e-16,
2.2997488596666757,
5.36790543680291
],
[
1.4081900399167858e-16,
-2.2997488596666757,
5.367905436802909
],
[
1.834394,
1.9328723010724205,
3.3478330300000... | [
[
3.668788,
0,
2.24648474047511e-16
],
[
-3.550628815003379e-16,
5.798616903217262,
3.347833030000001
],
[
3.550628815003379e-16,
-5.798616903217262,
3.3478330299999985
]
] | [
24,
24,
24,
33,
33,
33,
46,
46,
46
] | [
1,
1,
1
] | mp-1205827 | P-62m | As-Cr-Pd | 0.049478 | 0 | null | 0.066779 | 5,846.592342 | 119.756882 |
[
[
1.9944405999999997,
1.9944406,
2.4424852968795265e-16
],
[
0,
0,
3.50702277
],
[
-1.2212426484397633e-16,
1.9944406,
1.9748088003547792
],
[
-1.2212426484397633e-16,
1.9944406,
5.0392367396452205
],
[
1.9944406,
0,
1.9748088003547792
],... | [
[
3.9888812,
0,
2.4424852968795265e-16
],
[
-2.4424852968795265e-16,
3.9888812,
2.4424852968795265e-16
],
[
0,
0,
7.01404554
]
] | [
24,
33,
46,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm002207475> | P4/mmm | As-Cr-Pd | 0 | null | null | 0.030436 | 7,237.545228 | 143.623535 |
[
[
0,
0,
0
],
[
8.709468050516764e-17,
3.410574906309983,
-3.962880579244653e-16
],
[
-0.8039088971115459,
6.252700380016192,
1.3924110544538593
],
[
1.6078177942230931,
6.252700380016191,
-1.0991065984313632e-17
],
[
-0.8039088971115459,
6.2527... | [
[
1.6077604293309748,
4.547433208413309,
2.7847227500000002
],
[
1.6077604293309748,
4.547433208413309,
-2.7847227499999994
],
[
-3.2155208586619493,
4.547433208413309,
0
]
] | [
20,
12,
31,
31,
31,
31
] | [
1,
1,
1
] | alex<agm001179393> | F-43m | Ca-Ga-Mg | 0.097776 | null | null | 0 | 1,754.174641 | 57.250256 |
[
[
0,
0,
0
],
[
3.920321484147666,
4.430269522011625,
7.815587966100664
],
[
1.2592272002849072,
1.5874756364861733,
2.7540314065488207
],
[
0.6488301364501062,
3.008872579248899,
4.664760018044492
],
[
3.253431384544567,
3.1678183794585277,
... | [
[
3.8818884115323606,
0,
1.2400993365605
],
[
1.2976602729002125,
6.017745158497798,
2.6337241860889846
],
[
0,
0,
6.69579585
]
] | [
37,
33,
33,
46,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm003480668> | Immm | As-Pd-Rb | 0.012935 | null | null | -0.000005 | 6,996.224448 | 101.736893 |
[
[
0,
0,
0
],
[
-2.9947369764520855,
-1.8705766277916809,
-4.794497267542538
],
[
-4.847174537659504,
-3.0276486623926,
-6.177744689711139
],
[
-1.1422994152446666,
-0.7135045931907621,
-3.411249845373936
]
] | [
[
-1.826334893747017,
-3.7411532555833618,
-1.4577909875425383
],
[
-4.163139059157154,
0,
-1.4577909875425383
],
[
0,
0,
-6.67341256
]
] | [
37,
33,
46,
46
] | [
1,
1,
1
] | alex<agm001955357> | R-3m | As-Pd-Rb | 0.018102 | null | null | -0.000162 | 6,739.054319 | 52.772488 |
[
[
-5.759086952435799,
-1.7739193706247562,
-2.924461216188356
],
[
-8.63863042785063,
-4.435606596366492,
2.74617006585013
],
[
-6.665072244042188,
-4.668320504269347,
-1.1403212699662622
],
[
-7.732645136244242,
-1.5412054627219018,
0.9620301196280351
]... | [
[
-5.759086953238499,
0,
-2.9244612163209593
],
[
-2.8795434738094317,
-6.209525966991248,
-1.4622306076963079
],
[
-5.759086953238499,
0,
4.208400673679041
]
] | [
37,
37,
33,
33,
33,
33,
46,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm003365985> | Fmmm | As-Pd-Rb | 0.04125 | null | null | -0.000155 | 6,463.565375 | 58.420139 |
[
[
-3.9441437484606583,
-2.525795330181176,
-6.250029735829278
],
[
-7.208513296396747,
-4.6162691784988406,
-6.177343621408273
],
[
-0.6797742005245692,
-0.43532148186351205,
-6.322715850250284
],
[
-1.9891269039787973,
-1.2738195577096378,
-3.082813380498... | [
[
-2.326646401297559,
-5.051590660362352,
-2.247644810829278
],
[
-5.561641095623758,
0,
-2.247644810829278
],
[
0,
0,
-8.00476985
]
] | [
37,
37,
37,
33,
33,
46,
46,
46
] | [
1,
1,
1
] | alex<agm002198367> | R-3m | As-Pd-Rb | 0 | null | null | -0 | 6,467.030348 | 32.390862 |
[
[
2.080809875818171,
1.431161955739813,
3.3387765081237615
],
[
0,
0,
0
],
[
0.3272048473194606,
4.903023522301697,
4.6046960544114794
],
[
0.3204134144035709,
3.5802656402771986,
7.876950562182729
],
[
2.237987416539738,
4.803855704483044,
... | [
[
4.339504465499121,
0,
-0.432662637207785
],
[
-1.9314897423614894,
6.33418547804151,
-1.384227070256974
],
[
0,
0,
9.76036227
]
] | [
37,
37,
37,
33,
33,
33,
33,
46,
46
] | [
1,
1,
1
] | alex<agm003332917> | P-1 | As-Pd-Rb | 0.049243 | null | null | 0 | 5,774.110979 | 34.568539 |
[
[
-5.005795334845742,
-3.0411876571748855,
-4.789232853220587
],
[
-6.978074012266032,
-4.239412748106339,
-9.079330883966776
],
[
-5.997629969662396,
-3.6437602850180317,
-12.58168111095707
],
[
-1.619248210556099,
-0.9837473053615133,
-5.551196197365675
... | [
[
-2.71203912394373,
-5.223160053467852,
-1.647519685666226
],
[
-5.885283098878403,
0,
-1.647519685666226
],
[
0,
0,
-11.33548771
]
] | [
37,
37,
37,
37,
37,
37,
33,
33,
46
] | [
1,
1,
1
] | alex<agm003484543> | R-3m | As-Pd-Rb | 0.050014 | null | null | -0 | 5,887.076079 | 13.826337 |
[
[
4.441108085777669e-10,
2.2461699478918855,
-0.4224965128716689
],
[
2.0617021710135734,
5.126331847310671,
6.128324389788502
],
[
2.0617021700732647,
0.37055019742889106,
1.7003949005777104
],
[
1.3844197545663842e-9,
7.001951597773664,
4.005432976339123... | [
[
4.12340434,
0,
2.524856963285652e-16
],
[
-2.061702168542315,
7.372501795202556,
-3.0154337630831667
],
[
0,
0,
8.72126164
]
] | [
37,
37,
33,
33,
33,
33,
46,
46,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm003426449> | C2/m | As-Pd-Rb | 0.017085 | null | null | -0.000006 | 6,610.983265 | 64.693336 |
[
[
0,
0,
0
],
[
2.02443634,
2.511451579539067,
1.5777850920386443
],
[
2.02443634,
1.5522794685732277,
6.643471129479311
],
[
2.02443634,
3.283456569077503,
4.88182475399814
],
[
-1.7295407131207567e-16,
2.8245543357071283,
2.917807330065674... | [
[
4.04887268,
0,
2.4792194838585824e-16
],
[
-2.4883176103332207e-16,
4.063731048112295,
-0.9495105884820457
],
[
0,
0,
9.17076681
]
] | [
37,
33,
33,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm003461947> | Cmmm | As-Pd-Rb | 0.011944 | null | null | 0.000014 | 6,834.615902 | 48.83905 |
[
[
0,
0,
0
],
[
-0.008958581145912031,
2.07367664271985,
6.026233787876143
],
[
2.1015252170993777,
1.9122367088867995,
2.2626224058289153
],
[
0.013211633310495451,
1.1173260888941525,
3.74120610835697
],
[
2.07935500264297,
2.8685872627124973,... | [
[
4.157128520915929,
0,
-0.01959668469206476
],
[
-2.0645618849624636,
3.9859133516066496,
-0.7858762016028771
],
[
0,
0,
9.09432908
]
] | [
37,
33,
33,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm002253289> | C2/m | As-Pd-Rb | 0.024715 | null | null | 0 | 6,834.615902 | 76.092758 |
[
[
0,
0,
0
],
[
-4.695536457452551,
-2.2278855977674787,
-3.6830927866422516
],
[
-0.6480210342042084,
-5.156704916827675,
-3.6830927866422516
],
[
-3.7314390196879357,
-5.156704916827675,
0.24792454121690058
],
[
-4.244381995429902,
-1.60440751... | [
[
2.2255968925788143,
-6.761112435418208,
1.745717435122965
],
[
-7.117999922212925,
0,
1.745717435122965
],
[
0,
0,
-7.32894619
]
] | [
37,
33,
33,
33,
33,
33,
33,
46,
46,
46,
46,
46,
46,
46,
46,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm003685672> | R-3m | As-Pd-Rb | 0.050885 | null | null | -0.000196 | 6,913.348036 | 103.381462 |
[
[
-0.10655684950142373,
2.9792241412586935,
2.551872985830718e-16
],
[
1.2282709052440506,
5.054380626872288,
-3.5113421149999997
],
[
2.832067542243056,
0.9308728603883819,
2.551872985830719e-16
],
[
4.317175093283949,
2.90127767576626,
-3.511342114999999... | [
[
-2.2522404931181352,
6.10706818386073,
3.985697110443992e-16
],
[
6.50913735,
0,
3.985697110443992e-16
],
[
0,
0,
-7.02268423
]
] | [
37,
37,
37,
37,
33,
33,
46,
46
] | [
1,
1,
1
] | alex<agm002368958> | Amm2 | As-Pd-Rb | 0.004978 | null | null | 0.000003 | 6,178.827355 | 16.508783 |
[
[
-5.650596323791069,
-7.148629139018549,
5.47276780560816
],
[
-4.620332965114538,
-2.0836821592841073,
1.4347630042700668
],
[
-3.368167592664878,
-6.6998378084354355,
1.2910740034861614
],
[
-4.620332965042221,
-2.532473489867221,
6.198799524290552
],... | [
[
-4.564857462397016,
0,
-1.1646854357969734
],
[
-2.2824287297108294,
-9.232311298302657,
-0.5823427174770697
],
[
-4.564857462397016,
0,
8.363387604203027
]
] | [
37,
37,
37,
37,
33,
33,
46,
46
] | [
1,
1,
1
] | alex<agm002792248> | I-42d | As-Pd-Rb | 0.069977 | null | null | -0.000011 | 6,178.827355 | 12.384041 |
[
[
1.51544497,
0.10584823174294611,
4.465212932835759
],
[
4.54633491,
6.292900635864885,
0.3908071798293865
],
[
4.54633491,
2.0697532579889604,
5.955623402778164
],
[
1.5154449699999997,
4.328995609618871,
-1.0996032901130182
],
[
4.54633491,
... | [
[
6.06177988,
0,
3.711769663588913e-16
],
[
-3.9181036596318406e-16,
6.398748867607831,
-1.7877866373348548
],
[
0,
0,
6.64380675
]
] | [
37,
37,
37,
37,
33,
33,
46,
46
] | [
1,
1,
1
] | alex<agm002253633> | Cmcm | As-Pd-Rb | 0 | null | null | 0.00397 | 6,178.827355 | 20.537066 |
[
[
1.8434096438476378e-10,
0.7830221051964389,
1.89553675
],
[
2.2298750011429993,
4.855097891897735,
5.68661025
],
[
9.512727103372738e-10,
4.040705287037464,
3.4518709896610003
],
[
2.229875000376067,
1.5974147100567098,
4.130276010339
],
[
2.2298... | [
[
4.45975,
0,
2.730809281248704e-16
],
[
-2.22987499867266,
5.638119997094174,
3.712555684767244e-16
],
[
0,
0,
7.582147
]
] | [
20,
20,
50,
50,
50,
50,
46,
46
] | [
1,
1,
1
] | mp-11958 | Cmcm | Ca-Pd-Sn | 0 | 0 | 60.007371 | 0.00001 | 3,363.606291 | 54.921864 |
[
[
-2.999949685150238,
-1.9137865080088654,
-4.7536306966156605
],
[
-1.6727987039909649,
-1.0671444278413953,
-1.9406540018345224
],
[
-4.327100666309513,
-2.760428588176336,
-7.566607391396799
],
[
0,
0,
0
]
] | [
[
-1.779069609605457,
-3.827573016017731,
-1.6724544716156602
],
[
-4.22082976069502,
0,
-1.6724544716156602
],
[
0,
0,
-6.16235245
]
] | [
20,
50,
50,
46
] | [
1,
1,
1
] | alex<agm001940672> | R-3m | Ca-Pd-Sn | 0.06857 | null | null | 0 | 3,363.606291 | 62.933983 |
[
[
2.962705243292682,
1.109644955,
7.4404702026285605
],
[
1.313953918087917,
3.328934865,
2.6341789834865597
],
[
1.069669393359601,
1.109644955,
10.312623331138386
],
[
3.206989768020998,
3.328934865,
-0.23797414502326572
],
[
3.5527211385493813,
... | [
[
4.276659161380599,
0,
-0.3507806138848803
],
[
-2.717846284661518e-16,
4.43857982,
2.717846284661518e-16
],
[
0,
0,
10.4254298
]
] | [
20,
20,
50,
50,
50,
50,
46,
46
] | [
1,
1,
1
] | alex<agm002203891> | P2_1/m | Ca-Pd-Sn | 0.051907 | null | null | 0.000166 | 3,363.606291 | 56.948582 |
[
[
0,
0,
0
],
[
0.8225599185860618,
3.2348565246560566,
4.481271961303092
],
[
3.5951596504701646,
3.390530436562952,
3.0687497513555986
],
[
2.2055426728194303,
3.079182612749161,
7.268723624884227
],
[
2.803494626804358,
5.430730185239592,
... | [
[
4.155582486117471,
0,
1.374929453633641
],
[
1.6451198371721236,
6.469713049312113,
1.9951694326061835
],
[
0,
0,
6.96737449
]
] | [
20,
12,
12,
12,
12,
12,
31,
31
] | [
1,
1,
1
] | alex<agm003476259> | Immm | Ca-Ga-Mg | 0.082811 | null | null | -0 | 1,281.60831 | 39.979679 |
[
[
0,
0,
-3.49163704
],
[
0,
0,
0
],
[
-2.383397665,
-1.3760552834736757,
-5.237455560000001
],
[
-2.383397665,
1.3760552834736757,
-1.74581852
],
[
-2.383397665,
-1.3760552834736757,
-1.7458185200000003
],
[
-2.383397665,
1.3760... | [
[
-2.3833976650000004,
-4.128165850421027,
-5.837640643075051e-16
],
[
-2.3833976649999995,
4.128165850421027,
2.9188203215375253e-16
],
[
0,
0,
-6.98327408
]
] | [
20,
20,
50,
50,
46,
46
] | [
1,
1,
1
] | alex<agm002369298> | P6_3/mmc | Ca-Pd-Sn | 0.062612 | null | null | -0 | 4,153.015746 | 59.15184 |
[
[
-1.5905408430521506,
-1.01850435884487,
-3.8502795909496936
],
[
1.9467968078423907,
-4.385482141724973,
-1.464468474700222
],
[
-0.28141989262165895,
-1.591984539022528,
-0.6812432851453841
],
[
0.6376758574118994,
-3.812001961547315,
-4.633504780504531... | [
[
4.35957129635218,
0,
-1.8009279694795528
],
[
0.35625596479024,
-5.403986500569843,
0.8624016643500851
],
[
-4.35957129635218,
0,
-4.376221760520448
]
] | [
20,
20,
50,
50,
46,
46
] | [
1,
1,
1
] | alex<agm002261013> | C2/m | Ca-Pd-Sn | 0.060034 | null | null | -0.000015 | 4,153.015746 | 48.11705 |
[
[
3.409019339180991,
4.309888323194834,
3.9224069619992306
],
[
2.782734788211341,
1.067465497507609,
5.465838893360474
],
[
2.166400779253848,
4.046447565182642,
6.984748629377262
],
[
4.025353348138484,
1.330906255519802,
2.4034972259824428
],
[
... | [
[
4.293666906266231,
0,
1.7422582658138128
],
[
1.898087221126101,
5.377353820702443,
1.484145859545892
],
[
0,
0,
6.16184173
]
] | [
20,
20,
50,
50,
46,
46
] | [
1,
1,
1
] | alex<agm001023470> | C2/m | Ca-Pd-Sn | 0.087734 | null | null | -0 | 4,153.015746 | 52.982311 |
[
[
1.84289137,
-2.012412154770636e-49,
1.1284455087233902e-16
],
[
8.327557302030084e-17,
-1.3599933152690316,
2.3555775199999998
],
[
-8.327557302030083e-17,
1.3599933152690313,
2.35557752
]
] | [
[
3.68578274,
0,
2.2568910174467805e-16
],
[
-2.4982671906090247e-16,
4.079979945807094,
2.355577520000001
],
[
2.4982671906090247e-16,
-4.079979945807094,
2.3555775199999993
]
] | [
20,
50,
46
] | [
1,
1,
1
] | alex<agm001264087> | P-6m2 | Ca-Pd-Sn | 0.07731 | null | null | 0.00004 | 4,153.015746 | 55.341824 |
[
[
5.421722372671795,
1.02292797167853,
6.526758731396326
],
[
4.147328772328206,
4.0221953473632786,
1.5476393322075965
],
[
0.9576450573282055,
4.975606779690968,
-1.0845487697737852
],
[
2.2320386576717945,
1.976339404006219,
3.894570629414944
],
[
... | [
[
6.37936743,
0,
3.9062359518671886e-16
],
[
-3.67304319141941e-16,
5.9985347513694975,
-2.2580144183774595
],
[
0,
0,
7.70022438
]
] | [
20,
20,
20,
20,
50,
50,
50,
50,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm002331343> | P2_1/c | Ca-Pd-Sn | 0.077314 | null | null | 0 | 4,153.015746 | 45.996593 |
[
[
2.029167875,
-1.4730783488322494e-16,
3.1017981937799495
],
[
2.0291678749999997,
-2.6862360332261224,
6.0970801131100245
],
[
2.029167875,
2.6862360332261233,
6.097080113110025
],
[
1.0519018832973972e-16,
-1.7178861432206771,
0.9918220272255858
],
... | [
[
4.05833575,
0,
2.4850139430513867e-16
],
[
-4.055628688204438e-16,
6.623344283475243,
3.8239896050000013
],
[
4.055628688204438e-16,
-6.623344283475243,
3.8239896049999986
]
] | [
20,
20,
20,
50,
50,
50,
46,
46,
46
] | [
1,
1,
1
] | alex<agm002141673> | P-62m | Ca-Pd-Sn | 0.029044 | null | null | -0 | 4,153.015746 | 60.183575 |
[
[
0.0796544516216381,
2.637925540967265,
0.4780167642605899
],
[
5.3746578454646095,
0.39261600423748405,
4.604960248693341
],
[
-0.17038524246574088,
5.665839780856946,
2.399990542570703
],
[
2.6039336206386023,
2.1323453795365315,
6.305694670871844
],
... | [
[
5.93946656464085,
0,
-1.3484747536494603
],
[
-2.7022621233899486,
7.331878425706393,
-3.3861793583022606
],
[
0,
0,
8.51615362
]
] | [
20,
20,
20,
20,
20,
20,
20,
20,
50,
50,
46,
46
] | [
1,
1,
1
] | alex<agm003755016> | C2/c | Ca-Pd-Sn | 0.063761 | null | null | -0.000001 | 3,325.439366 | 29.656078 |
[
[
-1.708386101080648,
-3.96468380817315,
-5.997460399422619
],
[
2.4292489333213565,
-6.474498696883024,
-1.2895881059494732
],
[
1.5239662521950619,
-4.930837234170098,
-4.467673422978007
],
[
0.247657083966404,
-1.441216828108092,
-8.948284674654774
],... | [
[
5.173407739153602,
0,
-1.4736533706032602
],
[
0.6560352610108159,
-6.863796558664857,
2.303077483602303
],
[
-5.173407739153602,
0,
-8.344056299396739
]
] | [
20,
20,
20,
20,
20,
20,
20,
20,
50,
50,
46
] | [
1,
1,
1
] | alex<agm003528888> | C2/m | Ca-Pd-Sn | 0.048136 | null | null | -0.000001 | 2,576.765634 | 27.430161 |
[
[
-2.305798355,
-1.3312533009562468,
-2.3142254150000006
],
[
-2.305798355,
1.3312533009562468,
-6.942676245
],
[
0,
0,
0
],
[
0,
0,
-4.62845083
],
[
-2.305798355,
1.3312533009562468,
-0.698070359701928
],
[
-2.305798355,
-1.331... | [
[
-2.3057983550000003,
-3.9937599028687387,
-5.647577149859965e-16
],
[
-2.3057983549999994,
3.9937599028687387,
2.8237885749299824e-16
],
[
0,
0,
-9.25690166
]
] | [
20,
20,
50,
50,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm002203862> | P6_3/mmc | Ca-Pd-Sn | 0 | null | null | -0 | 5,254.644429 | 76.962128 |
[
[
-2.700986047166258,
-1.6527905256236728,
-8.845009068192876
],
[
-7.1173711938571795,
-4.355270064758648,
-3.0330631493777007
],
[
-3.5932298063903003,
-2.1987733652386794,
-5.866553212664197
],
[
-6.23032743692652,
-3.8124692165992213,
-5.99416054527091... | [
[
-2.2347002503440656,
-4.372008430193898,
-1.4708758963731907
],
[
-4.910024737470713,
0,
-1.4708758963731907
],
[
0,
0,
-8.93067147
]
] | [
69,
69,
69,
49,
29,
29,
29,
29,
29,
29,
29,
29
] | [
1,
1,
1
] | alex<agm003585760> | R3m | Cu-In-Tm | 0.058371 | null | null | -0.000023 | 2,268.408801 | 94.993034 |
[
[
-2.487877153786049,
3.1446000562162615,
-1.1993150514135726
],
[
-1.6285109941653337,
0.7546075371621787,
-5.700723142109621
],
[
-2.3383163253177353,
-0.7546075371621779,
-0.6757663158118111
],
[
-1.2586889876147993,
3.133249182069343,
-4.40613386301779... | [
[
-3.966827319483068,
0,
1.133193412078569
],
[
-1.00892698808903,
6.289200112432524,
-3.531823514905714
],
[
1.00892698808903,
-6.289200112432524,
-3.977859355094286
]
] | [
20,
12,
12,
31,
31,
31,
31,
31,
31
] | [
1,
1,
1
] | alex<agm003503160> | Immm | Ca-Ga-Mg | 0.055038 | null | null | 0.000082 | 1,734.159984 | 48.687035 |
[
[
1.7367223749999998,
2.385759275,
2.3857592750000003
],
[
1.736722375,
0,
1.0634357487756697e-16
],
[
-1.46085622983243e-16,
2.385759275,
1.46085622983243e-16
],
[
0,
0,
2.385759275
]
] | [
[
3.47344475,
0,
2.1268714975513393e-16
],
[
-2.92171245966486e-16,
4.77151855,
2.92171245966486e-16
],
[
0,
0,
4.77151855
]
] | [
20,
50,
46,
46
] | [
1,
1,
1
] | alex<agm001199980> | P4/mmm | Ca-Pd-Sn | 0.079718 | null | null | 0.000009 | 5,254.644429 | 82.908081 |
[
[
0,
0,
0
],
[
-2.892312968563516,
-1.93216472064834,
-4.691435961318427
],
[
-4.559603959630988,
-3.0459725509245166,
-6.580272955163044
],
[
-1.2250219774960445,
-0.8183568903721637,
-2.802598967473809
]
] | [
[
-1.6015603604278124,
-3.86432944129668,
-2.0246415963184266
],
[
-4.18306557669922,
0,
-2.0246415963184266
],
[
0,
0,
-5.33358873
]
] | [
20,
50,
46,
46
] | [
1,
1,
1
] | alex<agm001940673> | R-3m | Ca-Pd-Sn | 0.025013 | null | null | -0.000002 | 5,254.644429 | 77.696503 |
[
[
0.9002689957583468,
1.0251336689238937,
-2.5314957825
],
[
3.3174063182525932,
3.7775208591704486,
-7.594487347499999
],
[
1.2880401661746212,
1.4666875650423499,
-6.127172952442026
],
[
2.929635147836319,
3.3359669630519924,
-1.0641813874420265
],
[... | [
[
-0.6255466659890603,
4.802654528094342,
2.9656181476835533e-16
],
[
4.84322198,
0,
2.9656181476835533e-16
],
[
0,
0,
-10.12598313
]
] | [
20,
20,
50,
50,
50,
50,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm003388049> | Cmcm | Ca-Pd-Sn | 0.035237 | null | null | 0.000135 | 4,369.861198 | 60.169518 |
[
[
0,
0,
0
],
[
-1.372912958144846,
-1.7560398897005205,
-2.8733050529253474
],
[
-2.145291375268318,
-2.7439592638794252,
0.099673182252888
],
[
-0.036317912157211245,
-3.5969125034445675,
-1.386815935336229
],
[
-3.4818864212559526,
-0.9030866... | [
[
1.118785309853774,
-4.499999153579946,
1.437940009663771
],
[
-4.636989643266937,
0,
1.437940009663771
],
[
0,
0,
-5.64951189
]
] | [
20,
50,
50,
46,
46
] | [
1,
1,
1
] | alex<agm002141657> | C2/m | Ca-Pd-Sn | 0.027578 | null | null | 0 | 4,369.861198 | 64.325813 |
[
[
0,
0,
0
],
[
3.706214515473571,
4.591411733019769,
8.070118434848439
],
[
1.2177831622090662,
1.5732793432492027,
2.749930486297434
],
[
0.5965955241915983,
3.082345538134486,
4.861168555335597
],
[
3.034054181056439,
3.5041010903570156,
... | [
[
3.730806629299441,
0,
1.0977118104746781
],
[
1.1931910483831967,
6.164691076268972,
2.8335120106711944
],
[
0,
0,
6.8888251
]
] | [
20,
50,
50,
46,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm003475640> | Immm | Ca-Pd-Sn | 0.080544 | null | null | -0 | 5,801.384144 | 94.244179 |
[
[
0.6425663945175552,
5.680731870000001,
2.220871484089411
],
[
3.7873987128054822,
1.89357729,
6.019333131603605
],
[
1.3456596680943718,
7.293791893508103,
5.502319098977107
],
[
3.0843054392286655,
0.2805172664918976,
2.7378855167159086
],
[
3.0... | [
[
4.429965107323038,
0,
-0.9747094443069844
],
[
-4.637926734273239e-16,
7.57430916,
4.637926734273239e-16
],
[
0,
0,
9.21491406
]
] | [
20,
20,
50,
50,
50,
50,
50,
50,
50,
50,
46,
46
] | [
1,
1,
1
] | alex<agm002141675> | P2_1/m | Ca-Pd-Sn | 0.062526 | null | null | -0.000002 | 2,689.713167 | 51.600395 |
[
[
-4.019653643900021,
-2.92011122114191,
-6.505720020893906
],
[
-2.391287227905522,
-1.737170733049837,
-3.8702451933641737
],
[
0,
0,
0
],
[
-2.448565636393982,
0,
-6.70086446356452
],
[
-0.7569047995087897,
-2.3286409770958736,
-1.225033... | [
[
-1.5138095990175795,
-4.657281954191747,
-2.45006716712904
],
[
-4.897131272787964,
0,
-2.45006716712904
],
[
0,
0,
-5.47583088
]
] | [
20,
20,
50,
46,
46,
46
] | [
1,
1,
1
] | alex<agm002259830> | R-3m | Ca-Pd-Sn | 0 | null | null | -0.000001 | 5,528.095483 | 69.57888 |
[
[
3.36056863862635,
-1.0989012881132718,
0.7812088139317885
],
[
1.8799318256500823,
1.2990006409621389,
-2.808869255160976
],
[
2.876928619060189,
4.0279208938787265,
1.503831603660305
],
[
3.1468896940927458,
3.590716998282883,
-1.4911716194439282
],
... | [
[
2.40278254528936,
4.795803858150822,
2.2122691707375504
],
[
2.961273625952535,
-4.795803858150822,
1.37780889818553
],
[
0,
0,
-5.80234724
]
] | [
20,
20,
50,
46,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm003469947> | I4mm | Ca-Pd-Sn | 0.059724 | null | null | 0.000005 | 6,247.855577 | 97.795876 |
[
[
2.210482493088086e-8,
2.0686806232556756,
-0.4346149376032151
],
[
2.2537476063784685,
5.183304553121764,
5.2024297381767575
],
[
2.253747606907003,
2.656169453902746,
2.5378289876994256
],
[
-1.1658073386516198e-10,
0.557419489391146,
2.830060446236503
... | [
[
4.50749526,
0,
2.760044821165433e-16
],
[
-2.253747631516706,
7.251985176377439,
-3.7745998194264585
],
[
0,
0,
8.54241462
]
] | [
20,
20,
12,
12,
12,
12,
12,
12,
31,
31,
31,
31
] | [
1,
1,
1
] | alex<agm003426333> | C2/m | Ca-Ga-Mg | 0.079012 | null | null | 0 | 1,432.115877 | 42.760262 |
[
[
-1.8848919071275971,
1.448520150695157,
-4.604225142864362
],
[
3.3485594785537147,
4.336234369933209,
-2.7218924623804535
],
[
1.8848919071275962,
-1.4485201506951553,
-4.599549057135638
],
[
1.1344451130454818,
1.4690555510500458,
-0.9221390935294105
... | [
[
-1.5239534465026805,
5.805289920983254,
-1.8302099575089938
],
[
6.006958038101877,
0,
-1.8138215984008699
],
[
-4.4830045915991965,
-5.805289920983254,
-5.559742644090136
]
] | [
20,
20,
20,
20,
50,
50,
50,
50,
50,
50,
46,
46
] | [
1,
1,
1
] | alex<agm002331467> | Fmmm | Ca-Pd-Sn | 0.093444 | null | null | -0 | 2,840.215513 | 45.451061 |
[
[
-1.5000163655801722e-16,
2.44971263,
0.17530808866944766
],
[
0,
0,
4.107852051641827
],
[
1.923594465,
0,
6.985014446478028
],
[
1.923594465,
0,
1.5468717303023884
],
[
1.9235944649999999,
2.44971263,
5.37789895844237
],
[
1.9235... | [
[
3.84718893,
0,
2.355723804419815e-16
],
[
-3.0000327311603444e-16,
4.89942526,
3.0000327311603444e-16
],
[
0,
0,
8.35905011
]
] | [
20,
20,
50,
50,
50,
46
] | [
1,
1,
1
] | alex<agm003412465> | Pmm2 | Ca-Pd-Sn | 0.091491 | null | null | -0.000025 | 2,840.215513 | 46.4436 |
[
[
7.53416056652352,
7.4671415934965095,
7.822561624643625
],
[
3.2611461687555,
3.5672429003888695,
9.833678128069923
],
[
1.2322805293440107,
1.0416867592923438,
5.961083071358333
],
[
5.505294927112032,
4.941585452399984,
3.9499665679320333
],
[
... | [
[
6.121351503480332,
0,
2.33478864711869
],
[
2.6450895923871993,
8.508828352788854,
2.256978588883267
],
[
0,
0,
9.19187746
]
] | [
20,
20,
20,
20,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
46,
46,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm003346094> | Ibam | Ca-Pd-Sn | 0.031918 | null | null | -0.000061 | 3,649.665749 | 57.48452 |
[
[
-0.5376668640048748,
-3.05458038848291,
-1.9139253385125023
],
[
0.8251737349254491,
-2.1765345991412093,
-5.720251805211354
],
[
0,
0,
0
],
[
1.6569768941141128,
-0.43800507662770777,
-2.759293764136879
],
[
-2.1104749192300027,
-2.615557493... | [
[
4.50845670938058,
0,
-1.26653210655452
],
[
0.28750687092057453,
-5.231114987624119,
1.0234342062761443
],
[
-4.50845670938058,
0,
-7.39107924344548
]
] | [
20,
20,
20,
50,
50,
50,
46,
46
] | [
1,
1,
1
] | alex<agm002260753> | C2/m | Ca-Pd-Sn | 0.068581 | null | null | 0.000023 | 3,559.00285 | 45.979317 |
[
[
-2.415838740163606,
1.6648425275768657,
-4.176465074942233
],
[
-1.2789679765738697,
-1.6648425275768661,
-9.932207402971027
],
[
-1.8474033583687377,
0,
-14.346562163956632
],
[
-0.6890412676352261,
-0.8969303584031852,
-5.350955618283027
],
[
-... | [
[
-3.6948067167374754,
0,
0.47577937208673865
],
[
-0.099371968951113,
4.68020527713081,
-0.7717026837999725
],
[
0.099371968951113,
-4.68020527713081,
-13.812749166200028
]
] | [
20,
20,
20,
50,
50,
50,
50,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm003380600> | Immm | Ca-Pd-Sn | 0.076166 | null | null | 0.000159 | 4,257.181456 | 61.826874 |
[
[
-2.315949582810494e-16,
3.782232696681114,
8.837535793652803
],
[
-5.0559843791270934e-17,
0.8257049106154145,
5.198874665031703
],
[
2.317827615,
2.303968803648264,
-0.345064640657747
],
[
2.3178276149999997,
4.2129592498087725,
11.611025944804616
],
... | [
[
4.63565523,
0,
2.838520169685094e-16
],
[
-2.8215480207232033e-16,
4.607937607296528,
-0.6901292813154943
],
[
0,
0,
14.72653974
]
] | [
20,
20,
20,
50,
50,
50,
50,
50,
50,
50,
46,
46
] | [
1,
1,
1
] | alex<agm002260754> | P2/m | Ca-Pd-Sn | 0.047313 | null | null | 0.000001 | 2,759.88107 | 48.374161 |
[
[
4.426991949518384,
2.6699257632155096,
8.22445840563568
],
[
1.4154844670530085,
2.5892486601753437,
2.933749034311216
],
[
2.1255226000387455,
0,
0.6653018126790439
],
[
2.9817845760680624,
1.077287868910288,
5.3856687692864496
],
[
2.8606918405... | [
[
4.251045200077491,
0,
1.3306036253580877
],
[
1.5914312164939015,
5.259174423390853,
2.371630104588808
],
[
0,
0,
7.45597371
]
] | [
20,
20,
50,
50,
50,
46,
46
] | [
1,
1,
1
] | alex<agm003310257> | C2/m | Ca-Pd-Sn | 0.063197 | null | null | 0 | 3,686.128733 | 52.115894 |
[
[
-2.993737825515932e-11,
1.2210720361955574,
5.117059463085325
],
[
1.9597892498977203,
4.171740180800336,
-0.20679712125124308
],
[
-1.964124796254534e-8,
1.768361961534241,
0.9625676205019613
],
[
1.9597892695090307,
3.6244502554616522,
3.94769472133212... | [
[
3.9195785,
0,
2.400049632015892e-16
],
[
-1.9597892501322172,
5.392812216995893,
-2.509951768165918
],
[
0,
0,
7.42021411
]
] | [
20,
20,
50,
50,
46,
46,
46
] | [
1,
1,
1
] | alex<agm003310256> | C2/m | Ca-Pd-Sn | 0.057676 | null | null | 0 | 4,795.875233 | 67.956627 |
[
[
3.20212845,
2.8732388017741584,
6.901994080252081
],
[
1.0673761499999999,
5.178142738225842,
3.89265677974792
],
[
3.2021284499999996,
6.898929571774158,
9.28998220974792
],
[
1.06737615,
1.1524519682258418,
1.5046686502520807
],
[
1.06737614999... | [
[
4.2695046,
0,
2.6143175711674506e-16
],
[
-4.930049315837544e-16,
8.05138154,
4.930049315837544e-16
],
[
0,
0,
10.79465086
]
] | [
20,
20,
20,
20,
12,
12,
12,
12,
31,
31,
31,
31,
31,
31,
31,
31
] | [
1,
1,
1
] | alex<agm003617901> | Pnma | Ca-Ga-Mg | 0.058862 | null | null | -0.000004 | 1,654.410805 | 43.660866 |
[
[
-2.902220545,
-1.6755978129034124,
-1.0317224075646847
],
[
-2.9022205450000005,
1.6755978129034121,
-5.008363452435315
],
[
0,
0,
0
],
[
-4.2794141914616,
-0.8804746903925642,
-4.105852071609216
],
[
-1.5250269565828107,
-0.8804746903925648,... | [
[
-2.9022205450000005,
-5.0267934387102375,
-7.108390201707874e-16
],
[
-2.9022205449999996,
5.0267934387102375,
3.554195100853937e-16
],
[
0,
0,
-6.04008586
]
] | [
20,
20,
50,
46,
46,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm003488882> | P-3m1 | Ca-Pd-Sn | 0.056894 | null | null | 0 | 6,470.528526 | 82.359535 |
[
[
-4.13297290364006,
-5.807658008092138,
-0.12301545121062091
],
[
-1.3896171518921172,
-5.107419558882404,
2.0639322337801147
],
[
-4.370214220312845,
-2.986301734229595,
2.0639322337801147
],
[
-0.49831845680384856,
-0.7002376361306604,
-3.45925205670466... | [
[
2.0139944347064764,
-5.807707663992665,
3.4952401523091163
],
[
-6.147002675566996,
0,
3.4952401523091163
],
[
0,
0,
-7.11568433
]
] | [
20,
50,
50,
50,
50,
50,
50,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm002260384> | I-42m | Ca-Pd-Sn | 0.073708 | null | null | -0 | 3,909.255207 | 70.236427 |
[
[
-0.5348426484034348,
-1.4474091607248762,
-1.8784200618151758
],
[
1.4668729642911713,
-5.499867804848529,
-3.42674731049523
],
[
2.9653708252666915,
-5.751073350555153,
1.8361247780235934
],
[
-2.0333405093789545,
-1.1962036150182525,
-7.141292150333999... | [
[
4.518797479487235,
0,
-1.28663745476494
],
[
0.9320303158877373,
-6.947276965573406,
3.273382277689593
],
[
-4.518797479487235,
0,
-7.291912195235059
]
] | [
20,
20,
50,
50,
50,
50,
46,
46,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm003425700> | C2/m | Ca-Pd-Sn | 0.083441 | null | null | -0.000102 | 5,017.224738 | 73.838654 |
[
[
2.4825606499999995,
4.81866157014506,
1.2009309901450604
],
[
2.4825606499999995,
6.03453016985494,
4.818661570145061
],
[
2.48256065,
2.41679958985494,
6.03453016985494
],
[
2.48256065,
1.20093099014506,
2.41679958985494
],
[
-3.788464635375117e... | [
[
4.9651213,
0,
3.0402599537116725e-16
],
[
-4.4304421749744974e-16,
7.23546116,
4.4304421749744974e-16
],
[
0,
0,
7.23546116
]
] | [
20,
20,
20,
20,
50,
50,
50,
50,
46,
46
] | [
1,
1,
1
] | alex<agm002965658> | P4/mbm | Ca-Pd-Sn | 0.078126 | null | null | 0 | 3,187.449882 | 44.488018 |
[
[
4.1946656854639395,
3.4068574892909256,
7.48121437255955
],
[
1.206289145640503,
1.454279527980867,
2.944965415434612
],
[
0,
0,
0
],
[
2.992168607225983,
3.5772969253811833,
4.527333936240427
],
[
2.4087862238784594,
1.2838400918906094,
... | [
[
4.1644363767332155,
0,
1.7713727392944236
],
[
1.2365184543712269,
4.861137017271792,
2.873897348699738
],
[
0,
0,
5.7809097
]
] | [
20,
20,
50,
46,
46
] | [
1,
1,
1
] | alex<agm002331172> | Immm | Ca-Pd-Sn | 0.008574 | null | null | 0.000001 | 4,889.144195 | 51.664101 |
[
[
0.8427715039500814,
3.454094085845426,
6.148481940632564
],
[
3.72693934238428,
1.4809778187874443,
4.987912193863108
],
[
2.0413962741719414,
1.4809778187874443,
0.8757728938631089
],
[
-0.8427715642622571,
3.454094085845426,
2.0363426406325633
],
[... | [
[
5.76833556,
0,
3.5320868399809273e-16
],
[
-2.8841677818779763,
4.93507190463287,
-1.2000237655043278
],
[
0,
0,
8.2242786
]
] | [
20,
20,
20,
20,
50,
50,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm002140912> | C2/c | Ca-Pd-Sn | 0 | null | null | 0 | 4,889.144195 | 50.885269 |
[
[
-0.33573862115908143,
-0.6094132706218292,
-1.945368647427926
],
[
0.33573862115908126,
0.6094132706218283,
-6.866704422572075
],
[
-2.413544630995609,
-1.0385881365252891,
-5.799677314447569
],
[
2.413544630995609,
1.0385881365252887,
-3.012395755552431... | [
[
-3.0940907834169935,
4.894857793355787,
-0.9993917786697862
],
[
5.790771157039611,
0,
-0.9993917786697862
],
[
-2.6966803736226175,
-4.894857793355787,
-6.813289512660428
]
] | [
20,
20,
50,
50,
50,
50,
46,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm003365630> | Fmmm | Ca-Pd-Sn | 0.076733 | null | null | -0 | 4,725.229419 | 63.784237 |
[
[
1.1183797783492881,
1.146737128166275,
5.95603560536862
],
[
5.210744954188173,
5.0099270393582485,
3.8483256106811705
],
[
7.259809810697623,
7.216100463276464,
7.280876160969288
],
[
3.167444634858739,
3.3529105520844915,
9.388586155656737
],
[
... | [
[
5.8362013200136955,
0,
2.152446065411021
],
[
2.5419882690332165,
8.362837591442739,
2.096024480926886
],
[
0,
0,
8.98844122
]
] | [
20,
20,
20,
20,
50,
50,
50,
50,
50,
50,
46,
46,
46,
46,
46,
46,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm003346093> | Ibam | Ca-Pd-Sn | 0.0533 | null | null | 0 | 5,108.336965 | 75.14418 |
[
[
5.238839829121353,
4.400356521924692,
5.13402521297388
],
[
0.5750117201680295,
3.0655956780753084,
1.534557337073613
],
[
3.481937494812721,
0.667380421924692,
0.445307522097359
],
[
2.331914054476661,
6.798571778075308,
6.223275027950134
],
[
0... | [
[
5.8138515492893825,
0,
-2.1784996299525075
],
[
-4.57157723215857e-16,
7.4659522,
4.57157723215857e-16
],
[
0,
0,
8.84708218
]
] | [
20,
20,
20,
20,
50,
50,
50,
50,
50,
50,
46,
46,
46,
46,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm003334826> | Cmce | Ca-Pd-Sn | 0 | null | null | -0.000032 | 4,751.326618 | 75.993141 |
[
[
4.440892098500626e-16,
6.07658548228407,
1.6867000740550258e-16
],
[
0,
0,
0
],
[
1.0951828185803271e-15,
3.0382927411420355,
-8.796322048532088e-16
],
[
4.440892098500626e-16,
9.114878223426103,
6.661338147750939e-16
]
] | [
[
1.432264933660931,
4.051056988189379,
2.4807556350000004
],
[
1.432264933660931,
4.051056988189379,
-2.4807556349999995
],
[
-2.8645298673218615,
4.051056988189379,
0
]
] | [
20,
12,
31,
31
] | [
1,
1,
1
] | alex<agm002160291> | Fm-3m | Ca-Ga-Mg | 0.090384 | null | null | -0.000089 | 1,654.410805 | 45.690617 |
[
[
2.3349516925349172e-8,
3.8668841338580187,
4.949277589329983
],
[
0,
0,
0
],
[
2.2758894174383233,
1.2912103759335356,
3.3108328491966725
],
[
5.053729124129601e-10,
3.308744831865204,
1.5615963654585983
],
[
2.2758894402824668,
1.84934967792... | [
[
4.55177888,
0,
2.787160717909262e-16
],
[
-2.27588943921216,
5.158094509791554,
-0.6438309614733458
],
[
0,
0,
8.9039414
]
] | [
20,
20,
20,
50,
50,
46,
46,
46,
46
] | [
1,
1,
1
] | alex<agm003338710> | C2/m | Ca-Pd-Sn | 0.048884 | null | null | 0.000079 | 5,062.544202 | 58.51643 |
[
[
-3.3870261233165007,
0,
0.43441942753963203
],
[
-7.4145914640576525,
0,
2.357815904283128
],
[
-9.94182643472069,
-1.6967411882140833,
0.7935919207430354
],
[
-7.2414220385575305,
-3.4331072753027865,
1.9552717875220968
],
[
-3.5601955515070847,... | [
[
-5.400808793687077,
0,
-2.32335973408862
],
[
-2.700404398853621,
-5.129848463516869,
-1.1616798678279505
],
[
-5.400808793687077,
0,
5.11559506591138
]
] | [
20,
20,
50,
50,
50,
50,
46,
46,
46
] | [
1,
1,
1
] | alex<agm003342380> | Fmmm | Ca-Pd-Sn | 0.07969 | null | null | -0.000185 | 3,927.977618 | 56.390171 |
[
[
-2.2462598168473444e-16,
4.267302070072495,
-2.6575353251345744e-15
],
[
1.1102230246251565e-15,
12.801906210217485,
8.344172519603177e-16
],
[
1.334849006309891e-15,
8.53460414014499,
1.145222694454164e-16
],
[
0,
0,
0
],
[
2.189839412594004,
... | [
[
2.0116254874131023,
5.689736093429993,
3.484237550000001
],
[
2.0116254874131023,
5.689736093429993,
-3.484237549999999
],
[
-4.023250974826204,
5.689736093429993,
0
]
] | [
37,
37,
37,
62,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | mp-1205612 | Fm-3m | F-Rb-Sm | 0.047564 | 5.6869 | null | -0.000009 | 4,177.640084 | 30.447792 |
[
[
4.156848667728853,
-1.4685172336244303,
0.2710923224513553
],
[
2.160655596958712,
1.468517233624431,
-3.5615234500171695
],
[
1.99619307077014,
-2.937034467248861,
-3.2904311275314755
],
[
0,
0,
0
],
[
4.701472765320261,
-4.082665879681821,
... | [
[
2.3251181231472855,
5.874068934497723,
3.290431127497138
],
[
3.99238614154028,
-5.874068934497723,
0.5421846449370478
],
[
0,
0,
-7.1230469
]
] | [
37,
37,
37,
62,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | mp-1205613 | I4/mmm | F-Rb-Sm | 0.07922 | 4.6708 | null | -0.000007 | 4,177.640084 | 19.085884 |
[
[
3.9636757869725523,
2.8055050351488253,
6.730921035637799
],
[
2.006549310900593,
1.4307329976020666,
3.18318598726601
],
[
5.920802263044512,
4.180277072695584,
10.27865608400959
],
[
0,
0,
0
],
[
3.4486486700399492,
4.725521196936386,
4... | [
[
5.945808022030442,
0,
3.298077542972091
],
[
1.981543551914663,
5.611010070297651,
3.307287088303508
],
[
0,
0,
6.85647744
]
] | [
37,
37,
37,
62,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm002210609> | C2/m | F-Rb-Sm | 0 | null | null | 0 | 4,177.640084 | 16.362955 |
[
[
1.8801902399999997,
2.0213075417308612,
3.5010073600000005
],
[
1.8801902399999997,
-2.021307541730861,
3.5010073599999996
],
[
0,
0,
0
],
[
1.8801902400000003,
-4.732051088647734,
4.269963750150168
],
[
1.88019024,
1.148881194374851e-16,
... | [
[
3.76038048,
0,
2.3025689592040936e-16
],
[
-3.7130817166096566e-16,
6.063922625192584,
3.5010073600000013
],
[
3.7130817166096566e-16,
-6.063922625192584,
3.5010073599999987
]
] | [
37,
37,
62,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm002148884> | P-62m | F-Rb-Sm | 0.034355 | null | null | 0.006262 | 3,819.822267 | 33.19342 |
[
[
-1.1283342042725175,
-1.9680211701286987,
-3.706721031341525
],
[
-2.8995446633127546,
1.968021170128699,
-2.900471046358982
],
[
0,
0,
0
],
[
-3.4108427685781373,
-0.4516749236214923,
-4.435814981027706
],
[
-1.0044405357209476,
3.8481401287... | [
[
-4.027878867585272,
0,
0.9258612522994921
],
[
-0.6771718403042438,
5.936923730170983,
-2.94597720609977
],
[
0.6771718403042438,
-5.936923730170983,
-4.58707612390023
]
] | [
37,
37,
62,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm003488085> | C2/m | F-Rb-Sm | 0.048061 | null | null | 0.005564 | 3,819.822267 | 29.026146 |
[
[
0,
0,
0
],
[
2.2581092,
1.8940236584492016,
3.8455686449536137
],
[
2.2581091999999994,
4.286677953532704,
-0.010767753355818602
],
[
-1.0986096842517532e-16,
1.794165770925377,
4.0065135867731225
],
[
-2.68597853854751e-16,
4.386535841056529... | [
[
4.5162184,
0,
2.7653862039051904e-16
],
[
-3.7845882227992635e-16,
6.180701611981906,
-3.063441258402205
],
[
0,
0,
6.89824215
]
] | [
37,
62,
62,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm002210909> | Cmmm | F-Rb-Sm | 0.024327 | null | null | -0 | 3,167.557942 | 53.492962 |
[
[
3.8172850690441944,
1.3416768011403906,
0.8555567075630408
],
[
3.4038939847169436,
-2.683353602280781,
3.43345880808453e-17
],
[
1.7019469923584716,
-1.3416768011403901,
3.5223598650000003
],
[
0,
0,
0
],
[
2.579649125179422,
3.6229258410889... | [
[
1.28855590803122,
-5.366707204561562,
2.6668031574369593
],
[
5.5192320614026675,
0,
-2.6668031574369593
],
[
-1.28855590803122,
5.366707204561562,
4.3779165725630405
]
] | [
37,
37,
62,
62,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm002362216> | I4_1/amd | F-Rb-Sm | 0.048276 | null | null | -0 | 3,504.93319 | 63.516979 |
[
[
-2.916268766541907e-16,
4.762628324464371,
6.38160186
],
[
-1.863445345279438e-16,
3.043237195535629,
2.12720062
],
[
0,
0,
4.25440124
],
[
0,
0,
0
],
[
2.2213895599999995,
7.438317053010831,
6.381601860000001
],
[
2.22138956,
... | [
[
4.44277912,
0,
2.720417614313347e-16
],
[
-4.779714111821345e-16,
7.80586552,
4.779714111821345e-16
],
[
0,
0,
8.50880248
]
] | [
20,
20,
12,
12,
12,
12,
12,
12,
12,
12,
31,
31
] | [
1,
1,
1
] | alex<agm003748589> | Pmma | Ca-Ga-Mg | 0.094857 | null | null | 0 | 1,165.102574 | 35.731644 |
[
[
0.474510378369695,
1.0150258702947585,
3.147080862298995
],
[
3.819225864563132,
2.1937429910724027,
0.13362791723580428
],
[
3.260565410563071,
5.273531704171514,
8.956047079561388
],
[
-0.862530696048054,
4.464700180537124,
5.883817176297169
],
[
... | [
[
6.791182039889028,
0,
-1.0365802074402806
],
[
-1.8978328037487098,
6.524974428182586,
-1.3059447842340866
],
[
0,
0,
12.86518485
]
] | [
37,
37,
37,
37,
51,
51,
51,
51,
34,
34,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | mp-1189259 | P-1 | Rb-Sb-Se | 0.012922 | 1.5375 | null | null | 3,359.841686 | 11.304916 |
[
[
-3.015610615461371,
-1.8193383629831597,
-5.330567335239982
],
[
-4.031694486027405,
-2.4323486622078745,
-9.889838986012245
],
[
-0.39976171493691415,
-0.24117895735865522,
-6.93319062637597
],
[
-1.6184515976439307,
-0.9764228395828536,
-2.239101900162... | [
[
-1.9219526859526541,
-3.6461917459261777,
-1.0700914849244012
],
[
-4.121724927151351,
0,
-1.0700914849244012
],
[
0,
0,
-8.47297283
]
] | [
37,
51,
34,
34
] | [
1,
1,
1
] | alex<agm005111092> | R3m | Rb-Sb-Se | 0.051357 | null | null | 0.000044 | 3,359.841686 | 24.666849 |
[
[
1.7881431758126891,
0.11893193920732,
3.9950044923482673
],
[
5.20812615418731,
4.34030456420732,
6.423268737651735
],
[
1.7099914891873105,
4.34030456420732,
9.204141107348267
],
[
5.286277840812689,
0.11893193920732,
1.2141321226517336
],
[
1.5... | [
[
6.99626933,
0,
4.2839794204786486e-16
],
[
-5.16969047321451e-16,
8.44274525,
5.16969047321451e-16
],
[
0,
0,
10.41827323
]
] | [
37,
37,
37,
37,
51,
51,
51,
51,
34,
34,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | alex<agm003615411> | Pna2_1 | Rb-Sb-Se | 0.033459 | null | null | -0 | 3,359.841686 | 10.248205 |
[
[
0.9723865695550897,
4.834627195831227,
9.684228527250166
],
[
0.9009924773614015,
2.617987853025514,
4.592828472250166
],
[
4.675104812361401,
2.617987853025514,
0.4985715827498348
],
[
4.746498904555089,
4.834627195831227,
5.589971637749835
],
[
... | [
[
7.54822467,
0,
4.621954590680293e-16
],
[
-1.9007332880835086,
7.452615048856741,
4.709489814987706e-16
],
[
0,
0,
10.18280011
]
] | [
37,
37,
37,
37,
51,
51,
51,
51,
34,
34,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | alex<agm002185208> | P2_1/c | Rb-Sb-Se | 0.026014 | null | null | 0 | 3,359.841686 | 13.012023 |
[
[
3.1477387012005567,
7.851249113735829,
2.4337905570746043
],
[
3.1674156384099907,
4.145694693236591,
0.6666663986198399
],
[
1.059064811200557,
1.5406520726455892,
8.301499789066044
],
[
1.078741748409991,
5.246206493144827,
10.06862394752081
],
[
... | [
[
4.17734778,
0,
2.557887793851151e-16
],
[
-5.750880862905116e-16,
9.391901186381418,
-2.8822760238593506
],
[
0,
0,
13.61756637
]
] | [
37,
37,
37,
37,
51,
51,
51,
51,
34,
34,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | alex<agm002185207> | P2_1/m | Rb-Sb-Se | 0.041454 | null | null | 0 | 3,359.841686 | 18.954912 |
[
[
0,
0,
0
],
[
-3.0303350976472325,
-1.8298828662536237,
-5.296810282667025
],
[
-1.411030386226479,
-0.8520576914162933,
-3.045350169498114
],
[
-4.6496398090679865,
-2.8077080410909545,
-7.548270395835936
]
] | [
[
-1.9253512604444276,
-3.6597657325072475,
-1.0848869276670254
],
[
-4.135318934850038,
0,
-1.0848869276670254
],
[
0,
0,
-8.42384671
]
] | [
37,
51,
34,
34
] | [
1,
1,
1
] | alex<agm002239360> | R-3m | Rb-Sb-Se | 0.040972 | null | null | 0.000036 | 3,359.841686 | 23.669865 |
[
[
-5.372508275315152,
-0.9522663993542276,
0.5359095078386651
],
[
0.4168856078909804,
-5.4402998863667635,
-3.1338442671613356
],
[
-1.8468899904699267,
-3.6853837591366894,
0.5359095078386655
],
[
-3.108732676954246,
-2.707182526584303,
-3.13384426716133... | [
[
1.6452733379642366,
-6.392566285720991,
2.370786395338665
],
[
-6.6008960053884085,
0,
2.370786395338665
],
[
0,
0,
-7.33950755
]
] | [
37,
37,
51,
51,
34,
34,
34,
34
] | [
1,
1,
1
] | alex<agm002239359> | C2/c | Rb-Sb-Se | 0 | null | null | 0.000007 | 3,359.841686 | 19.011295 |
[
[
1.6268162417239445,
1.230627293353979,
5.8469554011164115
],
[
6.935018407475298,
5.558141605406897,
5.6986540555672365
],
[
7.220827740063896,
5.512134118579995,
10.814048979030808
],
[
1.341006909135346,
1.2766347801808815,
0.73156047765284
],
[
... | [
[
6.867318167416747,
0,
0.6051545524639943
],
[
1.6945164817824954,
6.7887688987608765,
1.2326464142196545
],
[
0,
0,
9.70780849
]
] | [
37,
37,
51,
51,
51,
51,
34,
34,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | mp-9798 | P-1 | Rb-Sb-Se | 0 | 1.1191 | null | 0.000008 | 3,009.90559 | 12.940434 |
[
[
4.022736519447924,
2.6006767161454234,
-2.9770979779669235
],
[
5.492582959151387,
0,
1.2808486616519028
],
[
0.722127451544847,
3.239264736486772,
1.729205304133611
],
[
2.1660566506999177,
0,
-0.7477244140645917
],
[
1.9427206080600972,
0,
... | [
[
6.601218135784047,
0,
-2.2787455540910013
],
[
-3.3006090679931015,
5.839941452632195,
-2.427557727451213
],
[
0,
0,
7.13386101
]
] | [
37,
37,
37,
51,
34,
34,
34
] | [
1,
1,
1
] | alex<agm002239507> | R3m | Rb-Sb-Se | 0.055944 | null | null | -0 | 3,906.190035 | 10.989812 |
[
[
2.2659917073208082,
1.344805596914513,
2.326540761757007
],
[
2.260258486121413e-8,
4.000219958642154,
3.855749770098056
],
[
-2.2708427626308213e-8,
3.3846673597712265,
0.2918598138020155
],
[
0,
0,
0
],
[
2.265991752631821,
1.96035819578544... | [
[
4.53198346,
0,
2.7750395190388735e-16
],
[
-2.265991730076607,
5.345025555556667,
-1.0470033681449378
],
[
0,
0,
7.2292939
]
] | [
20,
20,
12,
12,
12,
31,
31
] | [
1,
1,
1
] | alex<agm003312430> | C2/m | Ca-Ga-Mg | 0.050031 | null | null | -0.000005 | 1,441.416738 | 36.137718 |
[
[
5.297809080944009,
3.8058220485579457,
3.559956977320093
],
[
1.527052617592087,
1.3760422179707137,
4.8587783121984645
],
[
6.162723069584079,
6.145871615086151,
7.174844066896054
],
[
2.3919666062321574,
3.71609178449892,
8.473665401774426
],
[
... | [
[
7.270890881877908,
0,
0.612879535575811
],
[
0.41888480529825745,
7.521913833056866,
3.2256533535187066
],
[
0,
0,
8.19508949
]
] | [
37,
37,
37,
37,
51,
51,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | alex<agm003414382> | C2/c | Rb-Sb-Se | 0.070398 | null | null | 0.00002 | 3,568.27165 | 10.821768 |
[
[
-1.7286690161880824,
-2.9941425648441093,
-4.889414333875287
],
[
1.728669015038425,
-2.994142564844109,
-2.4447071669376434
],
[
-3.4573380312265067,
0,
-2.4447071669376434
],
[
0,
0,
0
],
[
4.528984277078723,
-1.1901899955990557e-32,
-1... | [
[
-3.457338032376164,
-5.988285129688219,
-2.4447071677505736
],
[
-3.4573380300768504,
5.988285129688219,
-2.4447071661247133
],
[
6.914676062453014,
0,
-2.4447071661247133
]
] | [
37,
37,
37,
51,
34,
34,
34,
34
] | [
1,
1,
1
] | alex<agm002315522> | I-43m | Rb-Sb-Se | 0.014418 | null | null | -0.000002 | 3,677.936448 | 13.16874 |
[
[
-1.7076159530420605,
2.0740243208907554,
-3.510909101911319
],
[
-4.1269365047363245,
-2.0869365279662406,
-2.890693241069624
],
[
-0.08388336968034638,
0.005790551145463185,
-7.447008622174484
],
[
-1.5601898294808776,
-4.4059154170920625,
-3.7356214193... | [
[
-5.918372272477174,
0,
1.1096911232276734
],
[
-0.6804402200595381,
6.372276243756051,
-3.629026534667886
],
[
0.6804402200595381,
-6.372276243756051,
-3.8438779053321137
]
] | [
37,
37,
51,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | alex<agm003470192> | Cm | Rb-Sb-Se | 0.076347 | null | null | 0.000025 | 3,185.064166 | 12.365677 |
[
[
-5.0872076001595,
-3.2930599836905152,
-8.08082265232296
],
[
-8.696646029815188,
-3.2930599836905152,
-14.62534712098444
],
[
-3.6094384296556865,
0,
-11.55275075366148
],
[
-5.0872076001595,
-3.2930599836905152,
-13.08904893732296
],
[
0,
0... | [
[
-2.9555383410076286,
-6.5861199673810304,
-3.07259636732296
],
[
-7.218876859311373,
0,
-3.07259636732296
],
[
0,
0,
-10.01645257
]
] | [
37,
51,
51,
51,
51,
34,
34,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | alex<agm003670749> | R-3m | Rb-Sb-Se | 0.036271 | null | null | 0.000312 | 2,797.682222 | 13.97763 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.