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
[ [ 0, 0, 0 ], [ 2.153770155, 2.153770155, 2.637607726419849e-16 ], [ 2.153770155, 0, 4.841126541859458 ], [ -1.3188038632099244e-16, 2.153770155, 2.1116843681405424 ], [ 2.153770155, 0, 2.1116843681405424 ], [ -1.3188038632099244e-16...
[ [ 4.30754031, 0, 2.637607726419849e-16 ], [ -2.637607726419849e-16, 4.30754031, 2.637607726419849e-16 ], [ 0, 0, 6.95281091 ] ]
[ 70, 13, 13, 13, 13, 13, 45 ]
[ 1, 1, 1 ]
alex<agm002249258>
P4/mmm
Al-Rh-Yb
0.046109
null
null
-0.000211
3,637.736589
85.408813
[ [ 0, 0, -3.8500505 ], [ -2.652746744999999, 1.5315640473176533, -7.700101 ], [ -2.6527467450000004, -1.531564047317654, -7.700101 ], [ 0, 0, 0 ], [ -3.428346227316119, 3.2513144322573218, -2.698238592015999 ], [ -4.52989400768388, ...
[ [ -2.6527467450000004, -4.594692141952961, -6.49735562042562e-16 ], [ -2.6527467449999995, 4.594692141952961, 3.24867781021281e-16 ], [ 0, 0, -7.700101 ] ]
[ 73, 80, 80, 80, 9, 9, 9, 9, 9, 9 ]
[ 1, 1, 1 ]
mp-1207124
P-31m
F-Hg-Ta
0
0
null
0.000005
3,239.651574
27.762241
[ [ -1.584415732114252, 2.379364618666102, 3.1993837513025927 ], [ 0, 0, 0 ], [ 2.564044105210141, 0.7260328002807194, 0.40194589297633904 ], [ -0.1886865414271321, 1.423001518982555, 4.127240174097164 ], [ 2.123931182688861, 3.3357277183496494, ...
[ [ 5.104076105490233, 0, -2.518939514195856 ], [ -3.168831464228504, 4.758729237332204, -0.009930147394814444 ], [ 0, 0, 6.40869765 ] ]
[ 73, 80, 9, 9, 9, 9, 9, 9 ]
[ 1, 1, 1 ]
alex<agm002270317>
R-3
F-Hg-Ta
0.056333
null
null
0.006424
3,352.71357
22.299124
[ [ 0, 0, 0 ], [ 6.661338147750939e-16, 8.001710775783783, 1.5543122344752192e-15 ], [ 2.1979340118177073, 9.555884820140635, 1.4254878118808903e-15 ], [ -2.1979340118177078, 6.447536731426927, 3.508690275193601e-16 ], [ -1.0989670059088539, 9.55...
[ [ 1.8860213168833941, 5.334473850522521, 3.266684745000001 ], [ 1.8860213168833941, 5.334473850522521, -3.266684744999999 ], [ -3.772042633766788, 5.334473850522521, 0 ] ]
[ 73, 80, 9, 9, 9, 9, 9, 9 ]
[ 1, 1, 1 ]
alex<agm002270318>
Fm-3m
F-Hg-Ta
0.049331
null
null
0.005084
3,352.71357
50.094765
[ [ 3.3306690738754696e-16, 4.008876627849269, 8.06872280101346e-17 ], [ 1.1102230246251565e-16, 12.026629883547805, 1.5543122344752192e-15 ], [ 0, 0, 0 ], [ 2.126677978451946, 9.521541675662005, 7.123210779587908e-16 ], [ -2.1266779784519456, 6....
[ [ 1.8898025656616517, 5.345168837132358, 3.273234060000001 ], [ 1.8898025656616517, 5.345168837132358, -3.273234059999999 ], [ -3.779605131323303, 5.345168837132358, 0 ] ]
[ 55, 55, 47, 9, 9, 9, 9, 9, 9 ]
[ 1, 1, 1 ]
mp-1206546
Fm-3m
Ag-Cs-F
0
0
null
0.005039
3,930.667063
22.571007
[ [ 0.4467745315678193, 3.2797154475, 4.54522389941506 ], [ 3.9039175879800014, 1.0932384825, 17.371653594703012 ], [ 1.328615577661307, 3.2797154475, 13.516560927723695 ], [ 3.022076541886514, 1.0932384825, 8.400316566394373 ], [ 4.146468412603265, ...
[ [ 4.350692119547821, 0, -0.42765295588193053 ], [ -2.6776620165966696e-16, 4.37295393, 2.6776620165966696e-16 ], [ 0, 0, 22.34453045 ] ]
[ 67, 67, 67, 67, 52, 52, 52, 52, 52, 52, 52, 52, 52, 52 ]
[ 1, 1, 1 ]
mp-1105026
Cmcm
Ho-Te
0.027304
0
null
0.000045
4,286.534458
48.902027
[ [ 1.5010888413859729, 1.8340427521631328, 3.1766552300000006 ], [ 3.6942124386140276, -1.8340427521631326, 3.1766552299999997 ], [ 0, 0, 0 ], [ 1.1081972473137283, -0.851962524257503, 1.4756423781586276 ], [ 1.1081972473137285, -3.7982031529531...
[ [ 5.19530128, 0, 3.1812045415790735e-16 ], [ -3.3690818789039747e-16, 5.5021282564893985, 3.176655230000001 ], [ 3.3690818789039747e-16, -5.5021282564893985, 3.1766552299999993 ] ]
[ 55, 55, 47, 9, 9, 9, 9, 9, 9 ]
[ 1, 1, 1 ]
alex<agm002209852>
P-3m1
Ag-Cs-F
0.010568
null
null
0.005506
3,930.667063
20.699526
[ [ 1.4981279864807941, 1.7987695974230282, 3.2284841032978444 ], [ 3.684281659932862, 3.6789002298783258, 0.17259629593575238 ], [ 0, 0, 0 ], [ 1.1218836489906023, 1.6231144202360424, -0.00562793787603578 ], [ 1.1305341063762502, 4.6166533668951...
[ [ 5.166580772877001, 0, 0.026732312034141288 ], [ 0.015828873536655005, 5.477669827301354, -3.0592622728005443 ], [ 0, 0, 6.43361036 ] ]
[ 55, 55, 47, 9, 9, 9, 9, 9, 9 ]
[ 1, 1, 1 ]
alex<agm002362244>
C2/m
Ag-Cs-F
0.001926
null
null
0.005492
3,930.667063
20.508804
[ [ 2.898717740063955, 3.9368809293332157, 1.5195712981871636 ], [ 4.709509675391855, 1.3122936431110719, -1.519571298202161 ], [ 4.618244756855802, -2.6245872862221438, -1.366396824587737 ], [ 2.807452821527902, 4.440892098500626e-16, 1.6727457718015886 ]...
[ [ 1.9933217724000052, 5.2491745724442875, 3.0391425963818257 ], [ 3.6215838706557992, -5.2491745724442875, 0.30634894722135103 ], [ 0, 0, -6.38463414 ] ]
[ 55, 55, 47, 47, 9, 9, 9, 9, 9, 9 ]
[ 1, 1, 1 ]
mp-561920
I4/mcm
Ag-Cs-F
0
0
null
-0
3,472.293915
40.964752
[ [ 2.243408215, 0, 1.3736913448403136e-16 ], [ -1.3801419575416324e-16, 2.253942865, 2.253942865 ], [ -1.3801419575416324e-16, 2.253942865, 1.3801419575416324e-16 ], [ 0, 0, 2.253942865 ], [ 2.243408215, 2.253942865, 2.2539428650000004 ] ]
[ [ 4.48681643, 0, 2.747382689680627e-16 ], [ -2.7602839150832647e-16, 4.50788573, 2.7602839150832647e-16 ], [ 0, 0, 4.50788573 ] ]
[ 55, 47, 9, 9, 9 ]
[ 1, 1, 1 ]
alex<agm002149384>
Pm-3m
Ag-Cs-F
0.004768
null
null
-0
3,472.293915
48.360039
[ [ 2.506059332932124, -1.4670664541268226, -3.695147755 ], [ 0, 0, 0 ], [ -0.46463435891521065, -3.6676661353170563, -3.2948510783153893 ], [ -0.39419765377542604, 2.2005996811902344, -2.971509154592306 ], [ 2.9706936918473335, 2.200599681190235...
[ [ -3.294454640482977, 5.868265816507291, -2.2478705541846105 ], [ 6.729782691245521, 0, -2.2478705541846105 ], [ -3.4353280507625445, -5.868265816507291, -2.8945544016307787 ] ]
[ 55, 55, 47, 47, 47, 47, 9, 9, 9, 9, 9, 9, 9, 9 ]
[ 1, 1, 1 ]
alex<agm003449740>
Fddd
Ag-Cs-F
0.059374
null
null
0.006853
2,857.637177
31.135046
[ [ 0, 0, 0 ], [ -2.74625090814263, -2.2189504803314475, -3.606188360872737 ], [ -1.609494610634933, -1.3004597754597356, -2.1134779471714786 ], [ -3.8830072056503266, -3.137441185203159, -5.098898774573995 ] ]
[ [ -0.9533552846712723, -4.437900960662895, -1.251880780872737 ], [ -4.539146531613987, 0, -1.251880780872737 ], [ 0, 0, -4.70861516 ] ]
[ 55, 47, 9, 9 ]
[ 1, 1, 1 ]
alex<agm003612200>
R-3m
Ag-Cs-F
0.065622
null
null
-0
3,606.707135
26.579203
[ [ 1.5738390706400933, -1.3221364499337578, 3.7890740949999997 ], [ 0, 0, 0 ], [ 3.7952158617658798, 1.322136449933758, 1.5589703232125078 ], [ 3.1476781412801866, -2.6442728998675156, 5.852401235636273e-17 ], [ 3.1657652216926793, 1.08416521608...
[ [ 0.9263013501544002, -5.288545799735031, 2.230103771787492 ], [ 5.369054932405973, 0, -2.230103771787492 ], [ -0.9263013501544002, 5.288545799735031, 5.348044418212508 ] ]
[ 55, 55, 47, 47, 9, 9, 9, 9 ]
[ 1, 1, 1 ]
alex<agm003262319>
I-42d
Ag-Cs-F
0.07579
null
null
0.000027
3,606.707135
24.485588
[ [ 0, 0, 0 ], [ 1.7830961353132637, 3.088413100457629, -2.5216787361076496 ], [ -3.5661922694406734, 1.3715309334728107e-15, -2.521678736946176 ], [ 1.7830961341274094, -3.0884131004576285, -2.5216787369461753 ], [ -4.440892098500626e-16, 6.8576...
[ [ -3.566192270626527, -6.176826200915259, -2.5216787377847005 ], [ -3.5661922682548197, 6.176826200915259, -2.5216787361076496 ], [ 7.132384538881347, 0, -2.5216787361076496 ] ]
[ 55, 47, 47, 47, 47, 47, 47, 47, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9 ]
[ 1, 1, 1 ]
alex<agm003701267>
Im-3
Ag-Cs-F
0
null
null
0.011949
1,968.26505
43.075897
[ [ -1.8527918944547e-16, 3.02583879, 1.8527918944547e-16 ], [ 0, 0, 3.02583879 ], [ 3.02583879, 0, 1.8527918944547e-16 ], [ 3.02583879, 3.02583879, 3.0258387900000003 ], [ 0, 0, 0 ] ]
[ [ 6.05167758, 0, 3.7055837889094e-16 ], [ -3.7055837889094e-16, 6.05167758, 3.7055837889094e-16 ], [ 0, 0, 6.05167758 ] ]
[ 55, 55, 55, 47, 9 ]
[ 1, 1, 1 ]
alex<agm002470357>
Pm-3m
Ag-Cs-F
0.068058
null
null
-0
4,893.254577
19.175694
[ [ 2.927378174904143, -1.1442015168616986, -4.848445687413913 ], [ 2.1675744760997864, -2.2760406368636015, -8.970729112586088 ], [ -0.37990184940217814, -0.5659195600009513, -2.061141712586087 ], [ 0.37990184940217825, 0.5659195600009502, -11.7580330874139...
[ [ -2.7989437984359977, 6.840484307450599, -1.362274087508906 ], [ 7.390961503571861, 0, -1.362274087508906 ], [ -4.592017705135864, -6.840484307450599, -11.094626624982189 ] ]
[ 67, 67, 67, 67, 67, 67, 67, 67, 52, 52, 52, 52, 52, 52, 52, 52, 52, 52, 52, 52 ]
[ 1, 1, 1 ]
mp-1189209
Fddd
Ho-Te
0
0.5308
null
null
4,066.855697
38.657608
[ [ -10.519991128643731, -3.9380071254203926, 0.8991400763697773 ], [ -7.2080717320728604, -1.262019268240936, 0.9856639854338727 ], [ -6.63552483671431, -5.258487299394781, -0.24299020939125412 ], [ -3.3236054952267926, -2.582499442215323, -0.15646632599573...
[ [ -5.508335337412092, 0, -2.566857251499702 ], [ -2.754167669574946, -6.520506567635716, -1.283428625237232 ], [ -5.508335337412092, 0, 4.626864628500298 ] ]
[ 55, 55, 55, 55, 47, 9, 9, 9, 9, 9 ]
[ 1, 1, 1 ]
alex<agm003659350>
I4
Ag-Cs-F
0.045277
null
null
0.000029
4,742.436489
25.067019
[ [ 0, 0, 0 ], [ 0, 0, 4.71810163 ], [ 2.226475765, 2.226475765, 2.33219755084879 ], [ 2.226475765, 2.226475765, 7.10400570915121 ], [ 2.226475765, 0, 2.0921481832390305 ], [ 2.226475765, 0, 7.344055076760969 ], [ 2.22...
[ [ 4.45295153, 0, 2.7266464189864046e-16 ], [ -2.7266464189864046e-16, 4.45295153, 2.7266464189864046e-16 ], [ 0, 0, 9.43620326 ] ]
[ 55, 55, 47, 47, 9, 9, 9, 9, 9 ]
[ 1, 1, 1 ]
alex<agm003313389>
P4/mmm
Ag-Cs-F
0.006793
null
null
-0.000102
3,537.2859
43.703037
[ [ 1.8738388514061093, 1.3159515333490455, -3.2351757320563763 ], [ 3.7358918718997987, -1.3237662594916828, 0.010830888864620537 ], [ 1.8888913564145025, 5.266989897026128, 3.1996703344213424 ], [ 3.9474809095031476, -1.0903826324869985, -3.151170771167354...
[ [ 1.8801121860745398, 5.279435585681457, 3.2148275390060417 ], [ 3.7241060409873783, -5.279435585681457, 0.031179081841993386 ], [ 0, 0, -6.46083416 ] ]
[ 55, 55, 47, 9, 9, 9, 9, 9 ]
[ 1, 1, 1 ]
alex<agm003469345>
I4mm
Ag-Cs-F
0.052814
null
null
0
4,029.198402
24.23008
[ [ -1.5457386138899356, -3.1234904881871683, -2.4508732718417323 ], [ -5.421545641098757, -1.1721208180004257, -2.357683829017278 ], [ -1.5080289458100387, 1.1721208180004248, -2.544478135055726 ], [ -5.3838359730188605, 3.1234904881871675, -2.4512886922312...
[ [ -6.929574586908796, 0, 2.4817178759269956 ], [ -1.315879906189706, 6.247311084292029, -3.674264526925766 ], [ 1.315879906189706, -6.247311084292029, -3.7096153130742335 ] ]
[ 55, 55, 55, 55, 47, 47, 9, 9, 9, 9, 9, 9 ]
[ 1, 1, 1 ]
alex<agm003414133>
C2/c
Ag-Cs-F
0.020509
null
null
0.000015
4,252.340249
24.114582
[ [ 0, 0, 0 ], [ -3.021783390000001, -1.7446274536492403, -3.0274465300000006 ], [ -3.02178339, 1.74462745364924, -3.02744653 ], [ -1.1605183887918797, 2.010076812505508, -1.9311178630314751 ], [ -4.182301778791879, 3.2238055484422126, -1.931...
[ [ -3.021783390000001, -5.23388236094772, -7.401234712560276e-16 ], [ -3.021783389999999, 5.23388236094772, 3.700617356280138e-16 ], [ 0, 0, -6.05489306 ] ]
[ 55, 47, 47, 9, 9, 9, 9, 9, 9 ]
[ 1, 1, 1 ]
alex<agm003498943>
P-31m
Ag-Cs-F
0.08395
null
null
0.005227
2,746.132035
26.274614
[ [ -1.6848168021812981, 1.2932520741438003, -4.460435134096108 ], [ -3.4615657945279477, -1.2932520741438016, -1.3799515299388423 ], [ -3.111607800630445, 2.9621254738621294, -0.4534621144287743 ], [ 0, 0, 0 ], [ -1.7182998755141499, -4.70322817...
[ [ -5.1463825967092465, 0, 1.94391614596505 ], [ -1.076833004551643, 5.924250947724259, -2.8508403748225986 ], [ 1.076833004551643, -5.924250947724259, -4.933462435177401 ] ]
[ 55, 55, 47, 47, 9, 9, 9, 9, 9, 9, 9, 9 ]
[ 1, 1, 1 ]
alex<agm002147962>
Immm
Ag-Cs-F
0.015018
null
null
0.000054
3,354.003803
19.578634
[ [ 1.1750921208233827, 1.4480335985034698, 2.589822964766272 ], [ 4.743835822254531, -1.4480335985034702, 2.5898229647662716 ], [ 0.6092797298921911, -2.8960671970069396, 1.342811010233728 ], [ 2.9594639715389564, 2.8664740543072956e-33, -1.342811010233728 ...
[ [ 1.218559459784382, -5.792134394013879, 2.685622020467456 ], [ 5.918927943077913, 0, -2.685622020467456 ], [ -1.218559459784382, 5.792134394013879, 5.179645929532544 ] ]
[ 55, 55, 47, 47, 9, 9, 9, 9, 9, 9, 9, 9 ]
[ 1, 1, 1 ]
alex<agm002147961>
I4/mcm
Ag-Cs-F
0
null
null
-0
3,354.003803
20.021297
[ [ 4.41684728508879, 2.711378867337746, 2.672747011470583 ], [ 1.7753689336190301, 3.8255572731351632, 5.98270976196746 ], [ 3.9464899308514925, 0.5465357117160834, 5.964845181020378 ], [ 2.245726287856327, 5.990400428756825, 2.690611592417665 ], [ ...
[ [ 5.475346953098398, 0, 0.40123517070850745 ], [ 0.7168692656094221, 6.536936140472909, 1.418375782729535 ], [ 0, 0, 6.83584582 ] ]
[ 55, 55, 47, 47, 9, 9, 9, 9, 9, 9, 9 ]
[ 1, 1, 1 ]
alex<agm003322631>
P-1
Ag-Cs-F
0.062314
null
null
0.004124
3,411.320388
19.311062
[ [ -5.562790989186862, -7.089684093088367, -2.347427876940949 ], [ -9.440848109614747, -8.098273537875448, -1.042766950560498 ], [ -6.139405451629334, -9.170990337780296, 1.4673250174834647 ], [ -8.341380372419112, -4.129713579164947, -0.9176441732146079 ...
[ [ -7.197265909896059, 0, -1.0878941953147936 ], [ -1.6938483311208705, -6.113993558520198, -3.591789696572759 ], [ -1.6938483311208705, -6.113993558520198, 3.8071669634272407 ] ]
[ 55, 55, 55, 55, 55, 47, 9, 9, 9, 9, 9, 9 ]
[ 1, 1, 1 ]
alex<agm003675637>
C2/m
Ag-Cs-F
0.038247
null
null
-0
4,861.49968
22.294363
[ [ 2.23044053, 2.237299619517484, -0.416410262148306 ], [ 2.23044053, 3.039441113132669, 3.8933557777728205 ], [ 2.23044053, 1.4351581259022992, 7.710854107930567 ], [ -2.4886081058879825e-16, 4.064205463355881, 9.399235921916066 ], [ -2.51293711887...
[ [ 4.46088106, 0, 2.7315018557530263e-16 ], [ -2.739901817775678e-16, 4.474599239034968, -0.8328205242966122 ], [ 0, 0, 12.43703041 ] ]
[ 55, 55, 55, 47, 47, 9, 9, 9, 9, 9, 9, 9 ]
[ 1, 1, 1 ]
alex<agm003350324>
Cmmm
Ag-Cs-F
0.022311
null
null
0.000057
3,871.623432
35.445271
[ [ 0.8949321050064565, 0.9698316259836647, 3.160076016309985 ], [ 4.76601084018598, -0.9698316259836643, 6.032953915383138 ], [ 5.887952391315177, -2.8213534816736536, -0.801588274153438 ], [ 2.830471472596218, 1.84547969703049e-33, -0.801588274153438 ], ...
[ [ 0.4540188922454823, -5.642706963347307, 1.603176548306876 ], [ 5.660942945192436, 0, -1.603176548306876 ], [ -0.4540188922454823, 5.642706963347307, 9.193029931693124 ] ]
[ 55, 55, 55, 55, 47, 47, 9 ]
[ 1, 1, 1 ]
alex<agm001078834>
I4/mmm
Ag-Cs-F
0.06029
null
null
0.000548
4,593.500416
12.780086
[ [ 3.1806875325, -2.5589664665906446, 4.432259935 ], [ 1.0602291774999997, 2.5589664665906433, 4.432259935000001 ], [ 1.0602291775000003, -6.077608794931485, 3.653686273848941 ], [ 1.0602291775, -0.12538073314594897, 1.7743131224011348 ], [ 3.180687...
[ [ 4.24091671, 0, 2.5968125371760117e-16 ], [ -4.700745138653466e-16, 7.676899399771931, 4.432259935000002 ], [ 4.700745138653466e-16, -7.676899399771931, 4.4322599349999985 ] ]
[ 55, 55, 47, 47, 47, 47, 47, 47, 9, 9, 9, 9, 9, 9 ]
[ 1, 1, 1 ]
alex<agm003543603>
P6_3/m
Ag-Cs-F
0.094661
null
null
0.000047
2,601.671426
32.281281
[ [ 2.0615140005881343, 5.509675021142035, 1.2198739425907166 ], [ 2.628380979166048e-10, 2.4622826094437795, 6.241459997098181 ], [ 0, 0, 0 ], [ 2.06151400051203, 4.796726906323485, 7.173793169810919 ], [ 3.38942224174853e-10, 3.17523072426233, ...
[ [ 4.123028, 0, 2.5246265214974564e-16 ], [ -2.0615139991490277, 7.971957630585815, -2.590863090311104 ], [ 0, 0, 10.05219703 ] ]
[ 62, 62, 62, 33, 33, 33, 33, 33, 33, 46, 46, 46, 46, 46, 46, 46, 46, 46 ]
[ 1, 1, 1 ]
mp-1208854
C2/m
As-Pd-Sm
0
0
null
0.00016
5,843.073164
105.330444
[ [ 0, 0, 0 ], [ 1.3104230355275057, 1.5108282260013943, 3.4854259399830143 ], [ 2.6917702851568577, -1.5108282260013939, 1.0846774877434562 ], [ 2.8602124340753012, 0.9905017884827761, 1.5326951277264704 ], [ 1.1419808866090633, -0.9905017884827...
[ [ 0.5657302257518887, -3.962007153931104, 1.5047131722735294 ], [ 4.002193320684364, 0, -1.5047131722735294 ], [ -0.5657302257518887, 3.962007153931104, 4.570103427726471 ] ]
[ 62, 33, 33, 46, 46 ]
[ 1, 1, 1 ]
mp-570216
I4/mmm
As-Pd-Sm
0.039792
0
null
0
5,395.664147
83.729126
[ [ 0, 0, -3.86669587 ], [ 0, 0, 0 ], [ -2.179466715, -1.2583156945950802, -5.8000438050000005 ], [ -2.179466715, 1.2583156945950797, -1.9333479349999991 ], [ -2.179466715, 1.2583156945950797, -5.8000438050000005 ], [ -2.179466715, ...
[ [ -2.1794667150000007, -3.774947083785239, -5.338153872745894e-16 ], [ -2.1794667149999998, 3.774947083785239, 2.669076936372947e-16 ], [ 0, 0, -7.73339174 ] ]
[ 62, 62, 33, 33, 46, 46 ]
[ 1, 1, 1 ]
alex<agm002136327>
P6_3/mmc
As-Pd-Sm
0.026722
null
null
-0.00048
4,875.353028
83.808693
[ [ -7.808261213538746, -5.33327739674833, -9.886946535311667 ], [ -6.091319903876042, -4.160554811278164, -4.894305904182483 ], [ -3.1750675077338166, -2.1686666607394987, -10.481105615480283 ], [ -1.4581261980711104, -0.9959440752693323, -5.488464984351099...
[ [ -2.471669334847837, -6.329221472017662, -3.546773339831383 ], [ -6.79471807676202, 0, -3.546773339831383 ], [ 0, 0, -8.28186484 ] ]
[ 67, 67, 67, 67, 52, 52, 52, 52, 52, 52 ]
[ 1, 1, 1 ]
alex<agm002321569>
R-3c
Ho-Te
0.048657
null
null
-0
4,066.855697
23.034224
[ [ 3.94809495, 1.251037651742691, 2.1668607750000004 ], [ 1.974047475, 1.0538761680419713e-32, 1.2087554608118324e-16 ], [ 1.9740474750000003, -1.251037651742691, 2.166860775 ] ]
[ [ 3.94809495, 0, 2.417510921623665e-16 ], [ -2.298118883729262e-16, 3.7531129552280733, 2.166860775000001 ], [ 2.298118883729262e-16, -3.7531129552280733, 2.166860774999999 ] ]
[ 62, 33, 46 ]
[ 1, 1, 1 ]
alex<agm002329684>
P-6m2
As-Pd-Sm
0.042374
null
null
0.000421
4,875.353028
81.708046
[ [ 0, 0, 0 ], [ 0, 0, -7.782372175 ], [ 0, 0, -11.6735582625 ], [ 0, 0, -3.891186087499998 ], [ -2.1746867399999994, 1.2555559747421108, -1.838542467649343 ], [ -2.1746867400000003, -1.2555559747421101, -9.620914642649343 ]...
[ [ -2.1746867400000003, -3.7666679242263292, -5.326446310578384e-16 ], [ -2.1746867399999994, 3.7666679242263292, 2.663223155289192e-16 ], [ 0, 0, -15.56474435 ] ]
[ 62, 62, 62, 62, 33, 33, 33, 33, 46, 46, 46, 46 ]
[ 1, 1, 1 ]
alex<agm002198794>
P6_3/mmc
As-Pd-Sm
0.034021
null
null
-0
4,875.353028
77.099312
[ [ 1.2319232055874558, 1.3187896684395806, 4.723077413325057 ], [ 2.2975627409095654, 0.3233420214254392, 0.6375159833250562 ], [ 3.0660732206654453, -0.9901861089310835, 3.5839125683041893 ], [ 0.14067532409509664, -1.9856337559452242, 0.5393359195250057 ...
[ [ 0.27152070939597966, -3.981790588056565, 1.0409847812208162 ], [ 3.9910374318924573, 0, -1.0409847812208162 ], [ -0.27152070939597966, 3.981790588056565, 7.130138078779185 ] ]
[ 62, 62, 33, 33, 46, 46 ]
[ 1, 1, 1 ]
alex<agm002198793>
I4_1md
As-Pd-Sm
0.071993
null
null
0
4,875.353028
76.735497
[ [ 3.1778109974999995, 3.772342147943001, 6.450371145900361 ], [ 1.0592703324999995, 7.025987812056998, 2.4528005709003606 ], [ 3.1778109975, 0.1728988279430016, 5.5423405790996405 ], [ 1.0592703324999997, 3.426544492056998, 1.5447700040996404 ], [ ...
[ [ 4.23708133, 0, 2.594464044255755e-16 ], [ -4.408046740550322e-16, 7.19888664, 4.408046740550322e-16 ], [ 0, 0, 7.99514115 ] ]
[ 62, 62, 62, 62, 33, 33, 33, 33, 46, 46, 46, 46 ]
[ 1, 1, 1 ]
alex<agm002254109>
Pnma
As-Pd-Sm
0.02967
null
null
-0.000235
4,875.353028
91.47831
[ [ 0, 0, 0 ], [ 2.024913465, 1.2072376043151827, 5.312587692518373 ], [ 2.024913464999999, 3.997217099395872, 3.701792280000001 ], [ 2.024913465, 1.207237604315182, 2.090996867481628 ], [ 4.04982693, -2.1372307693420787, 3.7017922800000003 ...
[ [ 4.04982693, 0, 2.479803793462626e-16 ], [ -3.9260292310710176e-16, 6.411692308026236, 3.701792280000001 ], [ 3.9260292310710176e-16, -6.411692308026236, 3.7017922799999985 ] ]
[ 62, 33, 33, 33, 33, 46, 46, 46, 46, 46, 46 ]
[ 1, 1, 1 ]
alex<agm003662302>
P-6m2
As-Pd-Sm
0.037176
null
null
0
6,221.964595
108.2771
[ [ 0.4435259925059199, 0.4639421161121269, 2.091428512440111 ], [ 3.6231062743240154, -0.46394211611212677, 7.065387124704786 ], [ 1.2781502366564534, 1.3369852850184332, 6.027064400355335 ], [ 2.7884820301734825, -1.3369852850184334, 3.1297512367895615 ]...
[ [ 0.1828887737468854, -4.062517654122839, 0.8624044228551029 ], [ 4.066632266829935, 0, -0.8624044228551029 ], [ -0.1828887737468854, 4.062517654122839, 9.156815637144897 ] ]
[ 62, 62, 33, 33, 33, 33, 46, 46 ]
[ 1, 1, 1 ]
alex<agm002253261>
I4/mmm
As-Pd-Sm
0.089307
null
null
0
4,714.066487
55.256027
[ [ -1.2567224052095168e-16, 2.05238344, 2.5906370893471915 ], [ 2.05238344, 0, 7.209743780652809 ], [ 2.05238344, 0, 1.5700436542538097 ], [ -1.2567224052095168e-16, 2.05238344, 8.230337215746191 ], [ 0, 0, 4.900190435 ], [ 2.0523834...
[ [ 4.10476688, 0, 2.5134448104190336e-16 ], [ -2.5134448104190336e-16, 4.10476688, 2.5134448104190336e-16 ], [ 0, 0, 9.80038087 ] ]
[ 62, 62, 33, 33, 33, 33, 46, 46 ]
[ 1, 1, 1 ]
alex<agm002329985>
P4/nmm
As-Pd-Sm
0.079951
null
null
0
4,714.066487
69.396576
[ [ 0, 0, 0 ], [ 2.4512979967598216, 2.17839062, 0.5217600224272831 ], [ 1.680305918135408, 2.17839062, 5.189693265696343 ], [ 3.3925388881552476, 2.17839062, 3.4288208515014005 ], [ 2.8058438193011956, 0, 1.6167892357181117 ], [ 0.73...
[ [ 4.13160391489523, 0, -1.3377203918763743 ], [ -2.6677591000756184e-16, 4.35678124, 2.6677591000756184e-16 ], [ 0, 0, 7.04917368 ] ]
[ 62, 33, 33, 46, 46, 46, 46 ]
[ 1, 1, 1 ]
alex<agm003456981>
Cmmm
As-Pd-Sm
0.064993
null
null
-0
6,159.295049
102.510124
[ [ 0, 0, 0 ], [ 3.9936823250144826, 4.374867869835165, 7.4269323072057825 ], [ 1.3487724302250328, 1.4170526691222505, 2.4246141558199845 ], [ 0.7195400537048343, 2.8959602694787074, 4.254748981127603 ], [ 3.3171676283213385, 3.15107931022638, ...
[ [ 3.9033746478298466, 0, 1.3420485007705607 ], [ 1.4390801074096686, 5.791920538957415, 2.1619524822552068 ], [ 0, 0, 6.34754548 ] ]
[ 62, 33, 33, 46, 46, 46, 46, 46 ]
[ 1, 1, 1 ]
alex<agm003476521>
Immm
As-Pd-Sm
0.041272
null
null
-0.000003
6,394.651372
110.47995
[ [ -2.770743633651118e-16, 4.5249677467498675, 5.636984827500001 ], [ -1.5580246533783642e-16, 2.5444473532501317, 1.8789949425000003 ], [ -9.849613130152093e-17, 1.6085638956488968, 5.6369848275 ], [ -3.343806974014273e-16, 5.460851204351102, 1.87899494250...
[ [ 4.12611583, 0, 2.526517272060362e-16 ], [ -4.3287682870294827e-16, 7.0694151, 4.3287682870294827e-16 ], [ 0, 0, 7.51597977 ] ]
[ 62, 62, 33, 33, 46, 46, 46, 46, 46, 46, 46, 46 ]
[ 1, 1, 1 ]
alex<agm003748766>
Pmma
As-Pd-Sm
0.096808
null
null
-0
6,407.816375
117.141495
[ [ 2.694359485, 0, 1.6498193595287805e-16 ], [ -3.291810185825331e-16, 5.375934005, 5.375934005 ], [ -3.10210375734205e-16, 5.066119895959971, 8.77599593557814 ], [ -5.373747665917975e-16, 8.77599593557814, 5.066119895959972 ], [ -5.758984195956687e...
[ [ 5.38871897, 0, 3.299638719057561e-16 ], [ -6.583620371650662e-16, 10.75186801, 6.583620371650662e-16 ], [ 0, 0, 10.75186801 ] ]
[ 3, 3, 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 20, 12, 12, 12, 12 ]
[ 1, 1, 1 ]
alex<agm003490601>
P4_2/mnm
Ca-Li-Mg
0.0346
null
null
0.000078
1,399.09668
23.671921
[ [ -3.590801981036521, -2.082534556209189, -2.516892162706557 ], [ 0.1994344044621237, -4.146207298621, -2.516892162706557 ], [ 0, 0, -3.77147622 ], [ -1.695683788287199, -3.114370927415094, -6.288368382706556 ], [ -2.75148837837005, -0.52696190...
[ [ 4.024313265718709, -6.228741854830188, 1.254584057293443 ], [ -7.415680842293106, 0, 1.254584057293443 ], [ 0, 0, -7.54295244 ] ]
[ 67, 67, 67, 67, 52, 52, 52, 52, 52, 52 ]
[ 1, 1, 1 ]
alex<agm002358206>
C2/m
Ho-Te
0.000572
null
null
-0.000024
4,066.855697
38.575985
[ [ 4.30816013, 2.162649717682166, 3.7458191900000006 ], [ 4.30816013, -2.1626497176821666, 3.74581919 ], [ 2.154080065, 2.413966634930112, 6.097934093508326 ], [ 2.154080065, -7.304967237989892e-17, 2.7874085729833507 ], [ 2.154080064999999, 4.0...
[ [ 4.30816013, 0, 2.6379872567093724e-16 ], [ -3.972723081654588e-16, 6.4879491530464986, 3.7458191900000015 ], [ 3.972723081654588e-16, -6.4879491530464986, 3.745819189999999 ] ]
[ 62, 62, 33, 33, 33, 46, 46, 46, 46, 46, 46 ]
[ 1, 1, 1 ]
alex<agm003349989>
P-62m
As-Pd-Sm
0.029795
null
null
0
5,961.703251
99.109779
[ [ -2.1586316300000004, -1.246286552661741, -8.953477005896001 ], [ -2.15863163, 1.2462865526617408, -1.6832955108960002 ], [ -2.15863163, 1.2462865526617408, -5.5868859841040015 ], [ -2.1586316300000004, -1.246286552661741, -12.857067479104002 ], [ ...
[ [ -2.1586316300000004, -3.738859657985222, -5.287122632435467e-16 ], [ -2.1586316299999995, 3.738859657985222, 2.6435613162177336e-16 ], [ 0, 0, -14.54036299 ] ]
[ 62, 62, 62, 62, 33, 33, 33, 33, 46, 46 ]
[ 1, 1, 1 ]
alex<agm002329986>
P6_3/mmc
As-Pd-Sm
0.030099
null
null
0.000104
4,278.342327
69.906181
[ [ 0.6414773523929793, 3.294205768805529, 1.6453626232766574 ], [ 4.866802424456535, 4.478233521194472, 4.345134959899201 ], [ 2.112662536031777, 7.180425413805529, 5.418891188311272 ], [ 3.395617240817737, 0.5920138761944715, 0.5716063948645863 ], [ ...
[ [ 5.508279776849514, 0, -2.1475124568241415 ], [ -4.759246449032813e-16, 7.77243929, 4.759246449032813e-16 ], [ 0, 0, 8.13801004 ] ]
[ 62, 62, 62, 62, 33, 33, 33, 33, 33, 33, 33, 33, 46, 46, 46, 46, 46, 46 ]
[ 1, 1, 1 ]
alex<agm003335831>
Cmce
As-Pd-Sm
0.075314
null
null
-0.000312
5,094.301151
93.655319
[ [ -3.694637712766919, 0.8253255081998162, -5.542203222875966 ], [ -0.4239714443217046, -0.825325508199817, -1.5801066253214529 ], [ -3.7008407987768965, -3.1955022757708598, -5.565321529788321 ], [ -2.993249585270618, -1.8180673430500907, -2.92818726598032...
[ [ -4.118609157088623, 0, 1.105097941802581 ], [ -0.8355367166234532, 6.3910045515417195, -3.1139766368181983 ], [ 0.8355367166234532, -6.3910045515417195, -5.113431153181803 ] ]
[ 62, 62, 62, 33, 33, 33, 33, 46, 46, 46, 46 ]
[ 1, 1, 1 ]
alex<agm003379041>
Immm
As-Pd-Sm
0.021608
null
null
0.000007
5,102.258462
85.239906
[ [ 0, 0, 0 ], [ 0, 0, -6.47822694 ], [ 0, 0, -9.71734041 ], [ 0, 0, -3.23911347 ], [ -1.6785501950000001, 0.9691114069315487, -11.295105066493749 ], [ -1.6785501950000001, 0.9691114069315487, -8.139575753506252 ], [ -...
[ [ -1.6785501950000004, -2.9073342207946467, -4.111262247029831e-16 ], [ -1.6785501949999995, 2.9073342207946467, 2.0556311235149155e-16 ], [ 0, 0, -12.95645388 ] ]
[ 3, 3, 73, 73, 16, 16, 16, 16 ]
[ 1, 1, 1 ]
mp-1206881
P6_3/mmc
Li-S-Ta
0
0.8541
null
null
3,816.507811
70.46862
[ [ 0, 0, -6.53781212 ], [ 0, 0, -3.2726964219546923 ], [ 0, 0, -9.802927818045308 ], [ -1.67933895, -0.969566794843124, -4.86564728986069 ], [ -1.67933895, 0.9695667948431239, -8.20997695013931 ], [ -1.67933895, 0.969566794843123...
[ [ -1.6793389500000004, -2.9087003845293706, -4.113194139601954e-16 ], [ -1.6793389499999996, 2.9087003845293706, 2.056597069800977e-16 ], [ 0, 0, -13.07562424 ] ]
[ 3, 73, 73, 16, 16, 16, 16 ]
[ 1, 1, 1 ]
mp-1222716
P-3m1
Li-S-Ta
0.018672
0
null
0.00008
3,811.15308
42.181679
[ [ 3.259978011891401, 5.854379546617632, 5.580934405156286e-16 ], [ 0.028984773178324215, 4.6532641763198885, 6.015167282402793 ], [ 3.2377851781783242, 2.280267423680112, 5.969546112597207 ], [ 0.05117760689140163, 1.079152053382368, 3.994904465 ], [ ...
[ [ 6.41760081, 0, 3.9296471450859805e-16 ], [ -4.2455636403635134e-16, 6.9335316, 4.2455636403635134e-16 ], [ 0, 0, 7.98980893 ] ]
[ 3, 3, 3, 3, 3, 3, 73, 73, 16, 16, 16, 16, 16, 16, 16, 16 ]
[ 1, 1, 1 ]
alex<agm003557163>
Pmn2_1
Li-S-Ta
0
null
null
0
3,285.348401
30.820427
[ [ 0, 0, 3.051842085 ], [ -1.8687143204492173e-16, 3.051842085, 1.8687143204492173e-16 ], [ 3.051842085, 0, 1.8687143204492173e-16 ], [ 0, 0, 0 ], [ 1.3170044459134485, 1.3170044459134485, 1.3170044459134487 ], [ 1.3170044459134482, ...
[ [ 6.10368417, 0, 3.7374286408984346e-16 ], [ -3.7374286408984346e-16, 6.10368417, 3.7374286408984346e-16 ], [ 0, 0, 6.10368417 ] ]
[ 3, 3, 3, 73, 16, 16, 16, 16 ]
[ 1, 1, 1 ]
alex<agm002157003>
P-43m
Li-S-Ta
0.005998
null
null
0
3,285.348401
9.899883
[ [ -1.036374584579847e-17, 13.024954609015523, 1.3322676295501878e-15 ], [ -6.711040140477434e-16, 6.273135427596151, 6.374207328992696e-16 ], [ -2.272327847510788, 9.48669228770397, 1.5255991525993948e-15 ], [ 1.1361639237553944, 9.48669228770397, -1.96789...
[ [ 2.046674161929301, 5.78886871511801, 3.544943635000001 ], [ 2.046674161929301, 5.78886871511801, -3.544943634999999 ], [ -4.093348323858601, 5.78886871511801, 0 ] ]
[ 3, 73, 73, 73, 73, 16, 16, 16, 16, 16, 16, 16, 16 ]
[ 1, 1, 1 ]
alex<agm003671465>
F-43m
Li-S-Ta
0.097821
null
null
0.002648
3,808.419244
58.833374
[ [ 0, 0, 0 ], [ 4.440892098500626e-16, 5.309684891851069, 8.881784197001252e-16 ] ]
[ [ 1.251504730997217, 3.539789927900712, 2.1676697800000007 ], [ 1.251504730997217, 3.539789927900712, -2.1676697799999998 ], [ -2.5030094619944334, 3.539789927900712, 0 ] ]
[ 67, 52 ]
[ 1, 1, 1 ]
mp-919
Fm-3m
Ho-Te
0.025767
0
null
-0.000011
3,885.149382
58.691212
[ [ -2.67190514403101e-16, 4.363552243620437, 5.7059699775 ], [ -1.5931415859571578e-16, 2.6017976563795617, 1.9019899925000001 ], [ 0, 0, 3.803979985 ], [ 0, 0, 0 ], [ 2.0215022199999995, 6.690234111680277, 5.705969977500001 ], [ 2.0...
[ [ 4.04300444, 0, 2.4756262231922685e-16 ], [ -4.265046729988168e-16, 6.9653499, 4.265046729988168e-16 ], [ 0, 0, 7.60795997 ] ]
[ 60, 60, 31, 31, 31, 31, 31, 31, 31, 31, 26, 26 ]
[ 1, 1, 1 ]
alex<agm002274227>
Pmma
Fe-Ga-Nd
0.039413
null
null
0.000403
2,203.077797
90.37886
[ [ -3.2289010552857994e-16, 5.27319559816575, 5.012007381909456 ], [ 1.0677967565460218e-32, -2.1233783435423187e-16, 6.088961796181091 ], [ -1.0433549351369083e-16, 1.703927917605848, 0.9837632419094552 ], [ 2.2383653299999993, 4.0802340419893826, 2.355724...
[ [ 4.47673066, 0, 2.741206936706909e-16 ], [ -4.2722559904227074e-16, 6.977123515771598, 4.028244140000002 ], [ 4.2722559904227074e-16, -6.977123515771598, 4.028244139999998 ] ]
[ 60, 60, 60, 60, 60, 60, 31, 31, 26 ]
[ 1, 1, 1 ]
alex<agm002274163>
P-62m
Fe-Ga-Nd
0.071578
null
null
0.002221
2,852.747178
63.718231
[ [ -7.744693590891057e-17, 1.2648044475, 4.838442247993439 ], [ -2.3234080772673174e-16, 3.7944133425, 2.281996212006561 ], [ 1.9882304249999998, 3.7944133425, 4.874173961069027 ], [ 1.988230425, 1.2648044475, 2.246264498930974 ], [ -2.3234080772673...
[ [ 3.97646085, 0, 2.4348800259436315e-16 ], [ -3.097877436356423e-16, 5.05921779, 3.097877436356423e-16 ], [ 0, 0, 7.12043846 ] ]
[ 60, 60, 31, 31, 26, 26, 26, 26 ]
[ 1, 1, 1 ]
alex<agm002336589>
Pmma
Fe-Ga-Nd
0.003675
null
null
0.0531
2,260.029479
100.59333
[ [ 4.1611394399999995, -1.7986947879276407, 3.1154307600000006 ], [ 1.3870464799999997, 1.7986947879276407, 3.1154307600000006 ], [ 4.1611394399999995, 3.36135914392094, 3.115430791154309 ], [ 1.38704648, -1.01736258295057, 4.468737774301493 ], [ 4....
[ [ 5.54818592, 0, 3.3972840640012067e-16 ], [ -3.304148722017919e-16, 5.396084363782922, 3.115430760000001 ], [ 3.304148722017919e-16, -5.396084363782922, 3.1154307599999993 ] ]
[ 60, 60, 31, 31, 31, 31, 31, 31, 26, 26 ]
[ 1, 1, 1 ]
alex<agm003731421>
P6_3/mmc
Fe-Ga-Nd
0.055677
null
null
0.022599
2,254.711721
89.557022
[ [ 2.29091073, 2.29091073, 2.2909107300000002 ], [ -1.402778246313413e-16, 2.29091073, 1.402778246313413e-16 ], [ 0, 0, 2.29091073 ], [ 2.29091073, 0, 1.402778246313413e-16 ], [ 0, 0, 0 ] ]
[ [ 4.58182146, 0, 2.805556492626826e-16 ], [ -2.805556492626826e-16, 4.58182146, 2.805556492626826e-16 ], [ 0, 0, 4.58182146 ] ]
[ 60, 31, 31, 31, 26 ]
[ 1, 1, 1 ]
alex<agm001104712>
Pm-3m
Fe-Ga-Nd
0.0974
null
null
0.000062
2,254.711721
100.488739
[ [ 1.5380721133944704, -2.6640190472852048, -2.175162443574433 ], [ -1.53807211441737, -2.664019047285205, -4.350324887148866 ], [ -3.0761442278118407, 1.4744184701713898e-16, -2.1751624435744334 ], [ -1.2500443323978279, -2.165140294946579, -0.883914824295...
[ [ -3.07614422883474, -5.3280380945704096, -2.175162444297732 ], [ -3.0761442267889407, 5.3280380945704096, -2.175162442851134 ], [ 6.1522884556236805, 0, -2.175162442851134 ] ]
[ 60, 60, 60, 31, 31, 31, 31, 26, 26, 26, 26 ]
[ 1, 1, 1 ]
alex<agm002336858>
I-43m
Fe-Ga-Nd
0.093707
null
null
0.031702
2,335.916654
88.283287
[ [ 2.158333860208603, -3.132710769086973, -1.7357097244134656 ], [ -1.7007993816943736, -0.20624162874525054, -6.098927567317749 ], [ -0.9080789412118241, -2.0821118566059194, -3.2562968611416796 ], [ 0.18150609579538154, -5.332329067234334, 0.6508660237611...
[ [ 4.903410602383896, 0, -1.3674072418819854 ], [ 0.34959315384185036, -6.8463701394276795, 1.2536124751757722 ], [ -4.903410602383896, 0, -8.107911198118016 ] ]
[ 60, 60, 60, 60, 60, 60, 60, 60, 31, 31, 26 ]
[ 1, 1, 1 ]
alex<agm003531108>
C2/m
Fe-Ga-Nd
0.080882
null
null
-0.000861
2,905.613362
61.60725
[ [ 1.2850227525, 1.0195111973677287, 0.8397561470174033 ], [ 3.8550682574999997, 5.241204348611817, 4.317101745311774 ], [ 3.8550682575, 0.2241194673289338, 2.6207568429222663 ], [ 3.8550682575, 2.615152096208822, -0.28209126015226177 ], [ 1.2850227...
[ [ 5.14009101, 0, 3.147398001361293e-16 ], [ -3.8335826268779623e-16, 6.260715545979545, -1.2220014676708233 ], [ 0, 0, 6.37885936 ] ]
[ 60, 60, 31, 31, 31, 31, 31, 31, 26, 26, 26, 26 ]
[ 1, 1, 1 ]
alex<agm002336574>
Cmcm
Fe-Ga-Nd
0.076097
null
null
0.031044
2,152.085891
96.087433
[ [ 2.110029355, 0, 1.1883864847809815 ], [ -1.292020347853852e-16, 2.110029355, 5.294194135219019 ], [ 2.110029355, 0, 4.592432094071849 ], [ -1.292020347853852e-16, 2.110029355, 1.8901485259281516 ] ]
[ [ 4.22005871, 0, 2.584040695707704e-16 ], [ -2.584040695707704e-16, 4.22005871, 2.584040695707704e-16 ], [ 0, 0, 6.48258062 ] ]
[ 67, 67, 52, 52 ]
[ 1, 1, 1 ]
alex<agm001418346>
P4/nmm
Ho-Te
0.001004
null
null
0
3,885.149382
43.169678
[ [ 0, 0, 0 ], [ -1.3090209222741686e-16, 2.1377934, 2.233245964332702 ], [ -1.3090209222741686e-16, 2.1377934, 4.792881695667299 ], [ 2.1377934, 0, 2.233245964332702 ], [ 2.1377934, 0, 4.792881695667299 ], [ 2.1377934, 2.1377934,...
[ [ 4.2755868, 0, 2.6180418445483373e-16 ], [ -2.6180418445483373e-16, 4.2755868, 2.6180418445483373e-16 ], [ 0, 0, 7.02612766 ] ]
[ 60, 31, 31, 31, 31, 31, 26 ]
[ 1, 1, 1 ]
alex<agm002272565>
P4/mmm
Fe-Ga-Nd
0.047348
null
null
0.000424
2,164.566012
79.592339
[ [ 2.17724639, 0, 2.188661468434161 ], [ -1.333178911234315e-16, 2.17724639, 7.13462587156584 ], [ 2.17724639, 2.17724639, 2.66635782246863e-16 ], [ 2.17724639, 2.17724639, 4.66164367 ], [ 0, 0, 4.66164367 ], [ 2.17724639, 0, ...
[ [ 4.35449278, 0, 2.66635782246863e-16 ], [ -2.66635782246863e-16, 4.35449278, 2.66635782246863e-16 ], [ 0, 0, 9.32328734 ] ]
[ 65, 65, 28, 51, 51, 51, 51 ]
[ 1, 1, 1 ]
mp-1217712
P-4m2
Ni-Sb-Tb
0
0
null
null
3,160.448728
63.652748
[ [ 0, 0, -3.932015825 ], [ 0, 0, 0 ], [ -2.172524165, -1.2543074114837167, -1.9660079124999994 ], [ -2.1725241650000005, 1.2543074114837167, -5.8980237375 ], [ -2.1725241650000005, 1.2543074114837167, -1.9660079124999992 ], [ -2.1725...
[ [ -2.1725241650000005, -3.762922234451151, -5.321149529475053e-16 ], [ -2.1725241649999996, 3.762922234451151, 2.6605747647375264e-16 ], [ 0, 0, -7.86403165 ] ]
[ 65, 65, 28, 28, 51, 51 ]
[ 1, 1, 1 ]
alex<agm002168565>
P6_3/mmc
Ni-Sb-Tb
0.09083
null
null
0
2,930.922119
92.236061
[ [ 3.3400817625000006, 0.06146062364069041, 6.0474422473774965 ], [ 1.1133605874999997, 7.20894013635931, 1.5737522826225046 ], [ 3.3400817625, 3.69666100364069, 5.384349547622505 ], [ 1.1133605874999999, 3.57373975635931, 2.2368449823774967 ], [ 1....
[ [ 4.45344235, 0, 2.7269469595573836e-16 ], [ -4.451836509626242e-16, 7.27040076, 4.451836509626242e-16 ], [ 0, 0, 7.62119453 ] ]
[ 65, 65, 65, 65, 28, 28, 28, 28, 51, 51, 51, 51 ]
[ 1, 1, 1 ]
alex<agm002168566>
Pnma
Ni-Sb-Tb
0.081418
null
null
-0.000149
2,930.922119
96.156906
[ [ 4.5178504575, 0.004821453227392299, 3.791256352961529 ], [ 1.5059501524999996, 6.142403856772607, 8.663367837038471 ], [ 4.5178504575, 3.078434108227392, 8.663367837038471 ], [ 1.5059501524999999, 3.0687912017726076, 3.791256352961529 ], [ 3.0119...
[ [ 6.02380061, 0, 3.688514067869187e-16 ], [ -3.764089899764548e-16, 6.14722531, 3.764089899764548e-16 ], [ 0, 0, 12.45462419 ] ]
[ 65, 65, 65, 65, 28, 28, 28, 28, 51, 51, 51, 51, 51, 51, 51, 51, 51, 51, 51, 51 ]
[ 1, 1, 1 ]
alex<agm003727995>
Pbcm
Ni-Sb-Tb
0.049836
null
null
-0
3,126.890708
69.257851
[ [ -2.1570036300000006, -1.2453466264235005, -2.2096181025000003 ], [ -2.15700363, 1.2453466264235002, -6.628854307499999 ], [ -2.1570036300000006, -1.2453466264235005, -5.175886779929588 ], [ -2.15700363, 1.2453466264235002, -0.7566505749295875 ], [ ...
[ [ -2.1570036300000006, -3.7360398792705003, -5.283135182457444e-16 ], [ -2.1570036299999997, 3.7360398792705003, 2.641567591228722e-16 ], [ 0, 0, -8.83847241 ] ]
[ 65, 65, 28, 28, 28, 28, 51, 51 ]
[ 1, 1, 1 ]
alex<agm002167338>
P6_3/mmc
Ni-Sb-Tb
0.092727
null
null
0.000431
2,719.941058
111.997276
[ [ -2.18529248, -1.2616792015860654, -9.213403960072544 ], [ -2.18529248, 1.2616792015860652, -1.7827050650725436 ], [ -2.18529248, 1.2616792015860652, -5.647993829927456 ], [ -2.18529248, -1.2616792015860654, -13.078692724927457 ], [ 0, 0, ...
[ [ -2.1852924800000006, -3.785037604758195, -5.352422881665563e-16 ], [ -2.1852924799999998, 3.785037604758195, 2.6762114408327814e-16 ], [ 0, 0, -14.86139779 ] ]
[ 65, 65, 65, 65, 28, 28, 51, 51, 51, 51 ]
[ 1, 1, 1 ]
alex<agm002349180>
P6_3/mmc
Ni-Sb-Tb
0.053639
null
null
-0
3,066.368896
78.807053
[ [ 2.0149315061564192, 6.945633945703016, 2.234771689622747 ], [ 1.1523589866026455e-10, 0.6921245055416502, 5.880200849529018 ], [ -1.9151225376192838e-8, 5.994679936101819, 7.777210062456759 ], [ 2.0149315254228806, 1.6430785151428473, 0.33776247669500614...
[ [ 4.02986301, 0, 2.467579418099409e-16 ], [ -2.014931503728344, 7.637758451244666, -0.3123390808482342 ], [ 0, 0, 8.42731162 ] ]
[ 65, 65, 65, 65, 65, 65, 28, 28, 51, 51 ]
[ 1, 1, 1 ]
alex<agm003717631>
C2/m
Ni-Sb-Tb
0.081476
null
null
0.001147
3,012.691922
62.648617
[ [ 0, 0, 0 ], [ 0, 0, -3.717838615 ], [ -2.13495864, 1.2326189455127174, -5.5767579225 ], [ -2.13495864, -1.232618945512718, -1.858919307500001 ] ]
[ [ -2.1349586400000002, -3.697856836538152, -5.229140529575972e-16 ], [ -2.1349586399999994, 3.697856836538152, 2.614570264787986e-16 ], [ 0, 0, -7.43567723 ] ]
[ 67, 67, 52, 52 ]
[ 1, 1, 1 ]
alex<agm002190382>
P6_3/mmc
Ho-Te
0
null
null
0.000021
3,885.149382
53.061684
[ [ 2.01912373, -1.820674241445468e-16, 6.361228960245261 ], [ 2.01912373, 1.727658161963654, 0.9974639048773705 ], [ 2.01912373, -1.7276581619636537, 0.9974639048773702 ], [ 4.03824746, -4.307196185902485, 2.486760877383328 ], [ 4.03824746, 4.30...
[ [ 4.03824746, 0, 2.472713413026965e-16 ], [ -4.431166480582749e-16, 7.236644040825321, 4.178078385000002 ], [ 4.431166480582749e-16, -7.236644040825321, 4.178078384999998 ] ]
[ 65, 65, 65, 65, 65, 65, 28, 51, 51 ]
[ 1, 1, 1 ]
alex<agm002168534>
P-62m
Ni-Sb-Tb
0.037656
null
null
0.002314
3,083.393842
61.08136
[ [ 4.06399275, -4.950475215852878, 2.8581581984892295 ], [ 1.35466425, -1.5211910401349666, 0.8782600565107705 ], [ 4.063992750000001, -1.5211910401349664, 6.59457645348923 ], [ 1.3546642500000003, -4.950475215852878, 4.614678311510769 ], [ 4.063992...
[ [ 5.418657, 0, 3.3179704753636997e-16 ], [ -3.962752682772725e-16, 6.471666255987845, 3.736418255000001 ], [ 3.962752682772725e-16, -6.471666255987845, 3.7364182549999985 ] ]
[ 73, 73, 73, 73, 73, 73, 73, 73, 73, 73, 14, 14, 14, 14, 14, 14, 7, 7 ]
[ 1, 1, 1 ]
mp-1208335
P6_3/mcm
N-Si-Ta
0.018295
0
null
0.000001
4,420.73527
223.429932
[ [ 1.0471382499999997, 3.9105411793980003, 1.5602616208620004 ], [ 3.14141475, 3.353032820602, 7.144952379138 ], [ 3.1414147499999996, 6.9848198206020005, 5.9128686208620005 ], [ 1.04713825, 0.278754179398, 2.792345379138 ], [ 1.0471382499999997, ...
[ [ 4.188553, 0, 2.564749012254522e-16 ], [ -4.447656324734969e-16, 7.263574, 4.447656324734969e-16 ], [ 0, 0, 8.705214 ] ]
[ 60, 60, 60, 60, 12, 12, 12, 12, 45, 45, 45, 45 ]
[ 1, 1, 1 ]
mp-1209841
Pnma
Mg-Nd-Rh
0
0
null
0.000016
4,724.755528
79.509453
[ [ 2.07890187, -1.116085115675861e-16, 3.0740648550596923 ], [ 2.0789018700000006, -3.7842430220683996, 2.184833727470153 ], [ 2.0789018699999993, 3.784243022068401, 2.1848337274701546 ], [ -4.5275582875419535e-33, -1.0651781061922929e-16, 5.663405102127974...
[ [ 4.15780374, 0, 2.545920520836947e-16 ], [ -3.9473190858412766e-16, 6.4464612794310225, 3.721866155000001 ], [ 3.9473190858412766e-16, -6.4464612794310225, 3.7218661549999985 ] ]
[ 60, 60, 60, 12, 12, 12, 45, 45, 45 ]
[ 1, 1, 1 ]
alex<agm002221068>
P-62m
Mg-Nd-Rh
0.03008
null
null
0.000113
4,724.755528
79.959297
[ [ 0, 0, 0 ], [ 4.440892098500626e-16, 5.813112682734109, -8.286556218983766e-17 ], [ -1.6438574912592602e-16, 2.9065563413670557, -3.0491016711486896e-16 ], [ 2.220446049250313e-16, 8.719669024101162, 5.136787312176594e-16 ] ]
[ [ 1.3701637992542703, 3.8754084551560717, 2.3731933150000004 ], [ 1.3701637992542703, 3.8754084551560717, -2.3731933149999995 ], [ -2.7403275985085402, 3.8754084551560717, 0 ] ]
[ 60, 12, 45, 45 ]
[ 1, 1, 1 ]
alex<agm002161106>
Fm-3m
Mg-Nd-Rh
0.049298
null
null
0.000001
5,625.07199
94.115356
[ [ 0, 0, 0 ], [ -1.399499208584441e-16, 2.285555655, 2.285555655 ], [ 1.7951065299999998, 2.285555655, 2.4986849416309473e-16 ], [ 1.79510653, 0, 2.285555655 ] ]
[ [ 3.59021306, 0, 2.198371466093012e-16 ], [ -2.798998417168882e-16, 4.57111131, 2.798998417168882e-16 ], [ 0, 0, 4.57111131 ] ]
[ 60, 12, 45, 45 ]
[ 1, 1, 1 ]
alex<agm002375622>
P4/mmm
Mg-Nd-Rh
0.037288
null
null
0.000114
5,625.07199
113.236588
[ [ 1.704263865, 1.704263865, 3.23576339 ], [ 1.704263865, 1.704263865, 2.0871212871747468e-16 ], [ 0, 0, 5.0108503780954745 ], [ 0, 0, 1.4606764019045246 ] ]
[ [ 3.40852773, 0, 2.0871212871747468e-16 ], [ -2.0871212871747468e-16, 3.40852773, 2.0871212871747468e-16 ], [ 0, 0, 6.47152678 ] ]
[ 60, 12, 45, 45 ]
[ 1, 1, 1 ]
alex<agm001151222>
P4/mmm
Mg-Nd-Rh
0.085848
null
null
-0.000124
5,625.07199
104.27533
[ [ 3.6153959798261774, 1.4663107143701573, 0.7454375189967334 ], [ 0.8217412058181081, 3.5033041725057807, 1.738202886439387 ], [ -0.8217412024061809, 3.5033041725057807, 5.804761696439387 ], [ 1.9719135716018878, 1.4663107143701573, 4.811996328996733 ], ...
[ [ 5.58730955, 0, 3.421240378126469e-16 ], [ -2.7936547725800036, 4.969614886875938, -1.58291840456388 ], [ 0, 0, 8.13311762 ] ]
[ 60, 60, 60, 60, 12, 12, 45, 45, 45, 45 ]
[ 1, 1, 1 ]
alex<agm003392463>
C2/c
Mg-Nd-Rh
0.033819
null
null
0.000004
4,922.755303
92.739906
[ [ 1.9532104099999998, 2.5685403802547313, 6.389722150254731 ], [ 1.9532104099999996, 6.389722150254731, 5.0738231597452685 ], [ 1.95321041, 1.2526413897452686, 2.5685403802547317 ], [ 1.9532104099999998, 5.0738231597452685, 1.2526413897452688 ], [ ...
[ [ 3.90642082, 0, 2.3919928766677895e-16 ], [ -4.679598023590717e-16, 7.64236354, 4.679598023590717e-16 ], [ 0, 0, 7.64236354 ] ]
[ 60, 60, 60, 60, 12, 12, 45, 45, 45, 45 ]
[ 1, 1, 1 ]
alex<agm002221036>
P4/mbm
Mg-Nd-Rh
0.069782
null
null
0.000007
4,922.755303
88.259033
[ [ 4.123656084653706, 3.4847907868731216, 7.020211048388424 ], [ 1.2013109912031543, 1.484519827080955, 2.763255813516996 ], [ 0, 0, 0 ], [ 2.3538562623233337, 1.3311080648966631, 5.645634347589485 ], [ 2.9711108135335267, 3.6382025490574135, ...
[ [ 3.9954464975281967, 0, 1.635631075843559 ], [ 1.3295205783286639, 4.969310613954076, 2.4500711660618606 ], [ 0, 0, 5.69776462 ] ]
[ 60, 60, 12, 45, 45 ]
[ 1, 1, 1 ]
alex<agm002285976>
Immm
Mg-Nd-Rh
0.017135
null
null
0.000095
4,922.755303
92.634247
[ [ 2.070846720445999, 0.6600679100307502, 6.29524251 ], [ 0.022436336100419892, 4.515336004608571, 2.0984141700000003 ], [ 2.0895118222263114, 3.584228931063693, 4.6614594573311 ], [ 0.003771234320107886, 1.591174983575628, 3.732197222668899 ], [ 0....
[ [ 4.15432244, 0, 2.5437888393860107e-16 ], [ -2.0610393834535805, 5.175403914639321, 3.4110694415301907e-16 ], [ 0, 0, 8.39365668 ] ]
[ 60, 60, 12, 12, 12, 12, 45, 45 ]
[ 1, 1, 1 ]
alex<agm002219984>
Cmcm
Mg-Nd-Rh
0.046065
null
null
0.000087
4,377.570138
61.567657
[ [ 5.633163401026912e-16, 6.520731947157141, 1.7013230091400543e-15 ], [ 2.220446049250313e-16, 9.781097920735712, 1.183728411957574e-15 ], [ 1.5369512740524276e-8, 1.6235219721621714, 2.662077869178566e-8 ], [ 0.7716156825900568, 3.805980655207886, -1.3364...
[ [ 1.5369512593781918, 4.347154631438094, 2.6620776700000004 ], [ 1.5369512593781918, 4.347154631438094, -2.6620776699999995 ], [ -3.073902518756383, 4.347154631438094, 0 ] ]
[ 60, 12, 45, 45, 45, 45 ]
[ 1, 1, 1 ]
alex<agm002285981>
F-43m
Mg-Nd-Rh
0.039436
null
null
0.000001
6,467.561521
148.081406
[ [ -4.6546440486863085, -2.8477725296988, -3.1042490844180515 ], [ -0.02971483689217971, -0.018179928548974874, -9.23390114900536 ], [ -3.7021914264884437, -2.2650494718314245, -6.288661188845858 ], [ -0.9456630630142865, -0.5785691161417531, -6.17153715281...
[ [ -2.333107935675046, -4.562765515841655, -1.5327800820445818 ], [ -5.124667968957954, 0, -1.5327800820445818 ], [ 0, 0, -9.33324908 ] ]
[ 60, 60, 60, 12, 45, 45, 45, 45, 45, 45, 45, 45 ]
[ 1, 1, 1 ]
alex<agm003587170>
R3m
Mg-Nd-Rh
0.022945
null
null
0.000003
6,201.44508
156.845139
[ [ 0, 0, 0 ], [ 0.8518959386926425, 3.1153371088691193, 4.182741409740955 ], [ 3.6005382627278033, 3.208399705120101, 2.812162959228189 ], [ 2.187798918304203, 3.022274512618137, 6.948605649566797 ], [ 2.8068310615158705, 5.286041388053233, ...
[ [ 4.084791221694238, 0, 1.3953697952259818 ], [ 1.703791877385285, 6.230674217738239, 1.68890997948191 ], [ 0, 0, 6.67657284 ] ]
[ 60, 12, 12, 12, 12, 12, 45, 45 ]
[ 1, 1, 1 ]
alex<agm003480823>
Immm
Mg-Nd-Rh
0.095518
null
null
0.000013
4,568.492805
59.600292
[ [ -3.554795831162993, 0.8084580624981849, -6.203934077208458 ], [ -0.34572540171715105, -0.808458062498184, -1.4377910155715565 ], [ -0.44877869397411796, 3.511125187457273, -1.866365422376502 ], [ -2.7519813780324167, 0.9580658427306717, -2.86521698119465...
[ [ -3.9005212328801444, 0, 0.9379035872199872 ], [ -0.8975573879482358, 7.022250374914546, -3.732730844753004 ], [ 0.8975573879482358, -7.022250374914546, -4.846897835246997 ] ]
[ 60, 60, 60, 12, 12, 12, 12, 45, 45, 45, 45 ]
[ 1, 1, 1 ]
alex<agm003379497>
Immm
Mg-Nd-Rh
0.082772
null
null
0
4,973.657346
86.867455
[ [ -4.934318422998436, -4.398237070065701, -5.619575965664942 ], [ -2.6475347588932903, -2.35989746153754, -3.0152133332121553 ], [ -6.796976025394236, -6.058529133405753, -7.740911679610584 ], [ -0.7848771564974903, -0.6996053981974877, -0.8938776192665132...
[ [ -0.7789728342884064, -6.758134531603241, -0.8871533294385487 ], [ -6.8028803476033195, 0, -0.8871533294385487 ], [ 0, 0, -6.86048264 ] ]
[ 60, 60, 12, 12, 45, 45, 45, 45, 45, 45, 45, 45, 45, 45, 45, 45, 45, 45, 45 ]
[ 1, 1, 1 ]
alex<agm003303087>
R-3m
Mg-Nd-Rh
0.070528
null
null
0.004252
7,054.517563
177.689941
[ [ 3.210968841709225, 4.0779790357047485, 0.07813785062855617 ], [ 4.456599396591479, 2.990708584816112, 4.463982627319762 ], [ 6.126484676884847, 2.146860798131907, -1.5085986937449076 ], [ 1.8004820057425468, 1.5287939862176256, 6.820893575016735 ], [...
[ [ 8.268663882630108, 0, -2.7849257917045103 ], [ -4.134331937940229, 7.478239066457073, -3.1634103852510913 ], [ 0, 0, 9.11174656 ] ]
[ 60, 60, 60, 60, 60, 60, 60, 60, 60, 60, 60, 60, 12, 45, 45, 45, 45, 45, 45, 45 ]
[ 1, 1, 1 ]
alex<agm003703441>
R-3
Mg-Nd-Rh
0.085887
null
null
-0.000011
4,500.282422
83.467628
[ [ 5.86739, -2.4560798744530103, 4.25405513 ], [ 5.86739, 2.4560798744530086, 4.254055130000001 ], [ 2.9336949999999997, 2.456079874453008, 4.254055130000001 ], [ 2.9336950000000006, -2.4560798744530103, 4.25405513 ], [ 4.400542499999999, 1.6050...
[ [ 5.86739, 0, 3.5927401914245947e-16 ], [ -4.511745535048666e-16, 7.368239623359027, 4.254055130000002 ], [ 4.511745535048666e-16, -7.368239623359027, 4.2540551299999985 ] ]
[ 40, 40, 40, 40, 40, 40, 40, 40, 40, 40, 50, 50, 50, 50, 50, 50, 6, 6 ]
[ 1, 1, 1 ]
mp-1207413
P6_3/mcm
C-Sn-Zr
0
0
null
0.000005
2,137.339982
101.310631
[ [ -1.6878977650000002, 0.9745082289873175, -8.658440606186 ], [ -1.6878977650000002, 0.9745082289873175, -13.533508893813998 ], [ -1.687897765, -0.9745082289873176, -1.2611241061860023 ], [ -1.687897765, -0.9745082289873176, -6.136192393814001 ], [ ...
[ [ -1.6878977650000004, -2.923524686961953, -4.1341571903904426e-16 ], [ -1.6878977649999996, 2.923524686961953, 2.0670785951952213e-16 ], [ 0, 0, -14.794633 ] ]
[ 40, 40, 40, 40, 50, 50, 6, 6 ]
[ 1, 1, 1 ]
mp-4613
P6_3/mmc
C-Sn-Zr
0
0
127.339149
0.000018
2,140.399567
126.783333
[ [ -3.5396350553092284, -2.1159565229270894, -7.433133273220731 ], [ -1.3596042002873185, -0.8127570586357223, -1.6976661778954345 ], [ -2.4496196277982736, -1.4643567907814057, -4.565399725558083 ], [ 0, 0, 0 ] ]
[ [ -1.5742425748168039, -2.9287135815628114, -0.7660941555580829 ], [ -3.3249966807797433, 0, -0.7660941555580829 ], [ 0, 0, -7.59861114 ] ]
[ 40, 40, 50, 6 ]
[ 1, 1, 1 ]
alex<agm003615801>
R-3m
C-Sn-Zr
0.060941
null
null
0
2,140.399567
127.250801
[ [ 2.0498813739016177, 4.087386597519485, 4.135150987253968 ], [ -2.1367451438710266e-8, 3.232443123306753, 1.226058757198683 ], [ 2.0498813745976037, 1.4974281425553586, 7.6440851943561565 ], [ 2.049881394150143, 5.018781629656301, 9.769327513972359 ], ...
[ [ 4.09976275, 0, 2.5103806645255255e-16 ], [ -2.049881377217309, 8.251224752963054, -0.5311487488289586 ], [ 0, 0, 11.52653502 ] ]
[ 67, 67, 67, 67, 67, 67, 67, 67, 52, 52, 52, 52 ]
[ 1, 1, 1 ]
alex<agm002190383>
C2/m
Ho-Te
0.065061
null
null
-0.000006
3,602.075982
36.066608
[ [ 0, 0, -10.03453479 ], [ 0, 0, 0 ], [ -1.6954886400000004, -0.9788908227119527, -7.457243199941255 ], [ -1.6954886400000004, 0.9788908227119527, -12.611826380058748 ], [ -1.6954886400000004, 0.9788908227119527, -17.491777989941255 ], [...
[ [ -1.6954886400000004, -2.936672468135858, -4.1527494719333983e-16 ], [ -1.6954886399999995, 2.936672468135858, 2.0763747359666991e-16 ], [ 0, 0, -20.06906958 ] ]
[ 40, 40, 40, 40, 40, 40, 50, 50, 6, 6, 6, 6 ]
[ 1, 1, 1 ]
alex<agm002139667>
P6_3/mmc
C-Sn-Zr
0
null
null
0.000079
2,193.771473
142.250641
[ [ 1.7379532165408802, 3.002253070680001, 1.2411286476696781 ], [ 1.7379532165408802, 3.002253070680001, 4.859617147330322 ], [ 1.4321963743603875e-9, 2.7904943237681383, 10.960362942330322 ], [ 1.4321963743603875e-9, 2.7904943237681383, 7.341874442669678 ...
[ [ 3.47590643, 0, 2.128378841817602e-16 ], [ -1.737953212026924, 5.792747394448139, 3.703235724615523e-16 ], [ 0, 0, 12.20149159 ] ]
[ 40, 40, 40, 40, 40, 40, 40, 40, 50, 50, 6, 6, 6, 6 ]
[ 1, 1, 1 ]
alex<agm003453143>
Cmcm
C-Sn-Zr
0.07606
null
null
-0.000001
2,266.773425
134.619644
[ [ 1.405258595, 2.729810899274074e-16, 6.174198708770843 ], [ 4.215775785, 7.181139657283311e-17, 2.212303061229159 ], [ 1.4052585950000003, -1.9159106518945317, 1.1061515306145788 ], [ 4.215775784999999, 1.9159106518945324, 7.280350239385421 ], [ 1...
[ [ 5.62103438, 0, 3.441890880682114e-16 ], [ -4.447258058392303e-16, 7.26292358170316, 4.193250885000002 ], [ 4.447258058392303e-16, -7.26292358170316, 4.1932508849999985 ] ]
[ 22, 22, 22, 22, 22, 22, 22, 22, 22, 22, 29, 29, 83, 83, 83, 83, 83, 83 ]
[ 1, 1, 1 ]
mp-1208323
P6_3/mcm
Bi-Cu-Ti
0
0
null
null
4,559.906399
93.820076
[ [ 1.81464697, -3.944891244280544, 2.2775840218091696 ], [ 1.8146469699999999, 1.2447494375886712e-16, 2.7937549563816595 ], [ 1.8146469699999996, 3.944891244280544, 2.277584021809171 ], [ 3.62929394, -1.4782240027810831, 0.8534530259282251 ], [ 2.7...
[ [ 3.62929394, 0, 2.2223016033929434e-16 ], [ -3.8970428825479796e-16, 6.364354008455749, 3.6744615000000014 ], [ 3.8970428825479796e-16, -6.364354008455749, 3.6744614999999987 ] ]
[ 22, 22, 22, 22, 22, 22, 29, 83, 83 ]
[ 1, 1, 1 ]
alex<agm002244733>
P-62m
Bi-Cu-Ti
0.021617
null
null
0.000431
3,984.092546
100.391968
[ [ 0, 0, 0 ], [ 6.661338147750939e-16, 7.024313002613388, -1.9266006012763616e-16 ], [ 1.648189420819792, 8.189758918754992, 5.236649154696249e-17 ], [ -1.6481894208197914, 5.8588670864717844, -1.1931197681338543e-16 ], [ 0.8240947104098968, 5.8...
[ [ 1.6556464524415886, 4.682875335075591, 2.8676637750000005 ], [ 1.6556464524415886, 4.682875335075591, -2.8676637749999996 ], [ -3.3112929048831767, 4.682875335075591, 0 ] ]
[ 40, 28, 9, 9, 9, 9, 9, 9 ]
[ 1, 1, 1 ]
mp-1206530
Fm-3m
F-Ni-Zr
0
0
null
0.014993
1,880.232766
73.51255
[ [ 0, 0, 0 ], [ -3.2241961853444505, -2.234528256606807, -5.442396132420146 ], [ -4.15043359590195, -1.5519381060197943, -7.106121263393957 ], [ -1.9179198238546133, -0.6947820942795802, -5.5634333750502405 ], [ -4.453595429715353, -1.1276126308...
[ [ -1.6755570075331205, -4.469056513213614, -2.6049264724201464 ], [ -4.772835363155781, 0, -2.6049264724201464 ], [ 0, 0, -5.67493932 ] ]
[ 40, 28, 9, 9, 9, 9, 9, 9 ]
[ 1, 1, 1 ]
alex<agm002211119>
R-3
F-Ni-Zr
0.007871
null
null
0.016523
1,880.232766
21.895096
[ [ 1.0564571741473332, 2.4584080193861837, 5.960302419778501 ], [ 4.8639005820897685, 4.428893110613816, -1.9140839907803948 ], [ 4.8639005820897685, 5.902058584386183, 1.5984476242196048 ], [ 1.0564571741473334, 0.9852425456138164, 2.4477708047785014 ], ...
[ [ 5.9203577562371015, 0, -2.9788448010018937 ], [ -4.2172556418092243e-16, 6.88730113, 4.2172556418092243e-16 ], [ 0, 0, 7.02506323 ] ]
[ 37, 37, 37, 37, 48, 48, 48, 48, 8, 8, 8, 8, 8, 8 ]
[ 1, 1, 1 ]
mp-1209499
P2_1/c
Cd-O-Rb
0
1.0967
null
null
3,023.918335
46.205273