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
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[ 59, 59, 14, 28, 28, 28, 28, 28, 28 ]
[ 1, 1, 1 ]
alex<agm003506229>
P-3m1
Ni-Pr-Si
0.077139
null
null
0
2,159.850978
124.883812
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[ 69, 69, 49, 49, 49, 49, 49, 49, 49, 49, 29, 29 ]
[ 1, 1, 1 ]
alex<agm002268593>
P2_1/m
Cu-In-Tm
0.09407
null
null
-0.000071
2,222.702044
52.339592
[ [ 0, 0, 0 ], [ 1.1937448132712838, 3.3119075180807243, 0.7736288402647997 ], [ 3.774738051074979, 3.3119075180807243, 1.8620116597541638 ], [ 0, 0, 3.604477725 ], [ 2.5809932378036953, 0, 4.692860544489364 ], [ 4.371896837091325, ...
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[ 65, 29, 29, 29, 29, 29, 29, 50, 50, 50, 50, 50, 50 ]
[ 1, 1, 1 ]
alex<agm003695723>
Immm
Cu-Sn-Tb
0.08188
null
null
0
1,759.893497
83.896317
[ [ -2.70308673, 1.5606278512084055, -3.585423247992354 ], [ -2.70308673, -1.5606278512084053, -4.495621182007646 ], [ -2.70308673, -1.5606278512084053, -7.625945462992355 ], [ -2.70308673, 1.5606278512084055, -0.4550989670076453 ], [ 0, 0, -...
[ [ -2.7030867300000003, -4.681883553625216, -6.620653023424371e-16 ], [ -2.7030867299999994, 4.681883553625216, 3.3103265117121857e-16 ], [ 0, 0, -8.08104443 ] ]
[ 59, 59, 59, 59, 14, 14, 28, 28, 28, 28, 28, 28 ]
[ 1, 1, 1 ]
alex<agm002242095>
P6_3/mmc
Ni-Pr-Si
0.070623
null
null
-0.000158
2,398.927592
108.466461
[ [ -1.5400025370959471, 1.3287362294824914, -4.054255285 ], [ 3.4044785070692187, 3.9457835362983937, -3.0068662676143854 ], [ 1.540002537095948, -1.3287362294824923, -4.054255285 ], [ -3.4044785070692187, -3.9457835362983946, -5.101644302385614 ], [ ...
[ [ -0.7870998029204506, 5.314944917929966, -2.0251147130773015 ], [ 5.372910345463341, 0, -2.0251147130773015 ], [ -4.58581054254289, -5.314944917929966, -4.058281143845397 ] ]
[ 59, 59, 59, 59, 14, 14, 28, 28, 28, 28, 28, 28 ]
[ 1, 1, 1 ]
alex<agm003411915>
Fmmm
Ni-Pr-Si
0.045929
null
null
-0.000143
2,398.927592
101.859451
[ [ 2.00349271, 2.194340905, 7.100735964555676 ], [ 2.00349271, 0, 1.5108097217019774 ], [ 0, 0, 9.50805154976236 ], [ -1.343646282773178e-16, 2.194340905, 3.9288683468874672 ], [ 2.00349271, 0, 4.757151859154574 ], [ 0, 0, 6....
[ [ 4.00698542, 0, 2.4535709344165566e-16 ], [ -2.687292565546356e-16, 4.38868181, 2.687292565546356e-16 ], [ 0, 0, 11.04330751 ] ]
[ 59, 59, 59, 59, 14, 14, 14, 28 ]
[ 1, 1, 1 ]
alex<agm003553224>
Pmm2
Ni-Pr-Si
0.054248
null
null
0.000205
2,716.677661
75.694351
[ [ -2.7487874191990844, -1.4268222768835868, -1.582846307217227 ], [ -1.0081588026120265, 1.426822276883587, -2.6586737173399535 ], [ 0, 0, 0 ], [ -2.5969049933401203, 3.48586220603343, -1.1823083976678008 ], [ -2.108864385937681, 1.117868315521...
[ [ -3.75694622181111, 0, 1.4246194954428189 ], [ -0.9488231574666914, 4.6037305215553115, -2.5021962622400844 ], [ 0.9488231574666914, -4.6037305215553115, -3.1639432577599154 ] ]
[ 59, 59, 14, 28, 28 ]
[ 1, 1, 1 ]
alex<agm002355885>
Immm
Ni-Pr-Si
0.030258
null
null
-0.000035
2,522.406758
87.787041
[ [ 0, 0, 0 ], [ -1.3129971673642515, 0.7544983161721172, -5.728990495731597 ], [ -2.6752736108965607, -0.7544983161721172, -2.5149799483328055 ], [ -3.3697162420835096, -1.5237339561133019, -5.545036125245767 ], [ -0.6185545361773015, 1.52373395...
[ [ -3.9882707782608113, 0, 0.9140507659355966 ], [ -0.23012227585410078, 4.162909416004121, -1.0040907818466296 ], [ 0.23012227585410078, -4.162909416004121, -8.15393042815337 ] ]
[ 59, 59, 59, 14, 14, 28, 28 ]
[ 1, 1, 1 ]
alex<agm003312182>
Immm
Ni-Pr-Si
0.05394
null
null
-0.000058
2,587.19126
83.466713
[ [ 0.7857929788407179, 0, 4.563104408634739 ], [ 3.296949216706601, 0, 7.553508991417401 ], [ 2.041371097773659, 2.090283275, -0.3049880499739291 ], [ 0.3635263852334062, 2.090283275, 2.2172267995586865 ], [ 3.719215810313912, 2.090283275, 9...
[ [ 4.082742195547318, 0, -0.6099760999478584 ], [ -2.5598587220399966e-16, 4.18056655, 2.5598587220399966e-16 ], [ 0, 0, 12.7265895 ] ]
[ 59, 59, 59, 14, 14, 14, 14, 14, 14, 14, 28, 28 ]
[ 1, 1, 1 ]
alex<agm002241353>
P2/m
Ni-Pr-Si
0.078509
null
null
-0.000005
2,284.649106
99.110947
[ [ 2.0331499845108123, 1.115303579409068, 5.257044712728476 ], [ 0, 0, 0 ], [ -1.8024502914449718e-9, 4.109422536338167, 1.1523281472537932 ], [ 2.033149983970055, 2.3481813649857646, -0.2758317015274395 ], [ -1.2616927635830585e-9, 2.8765447507...
[ [ 4.06629997, 0, 2.4898906213167394e-16 ], [ -2.033149987291638, 5.224726115747235, -1.8982832100177316 ], [ 0, 0, 8.30765607 ] ]
[ 59, 59, 59, 14, 14, 14, 14, 28, 28 ]
[ 1, 1, 1 ]
alex<agm003338108>
C2/m
Ni-Pr-Si
0.061654
null
null
-0
2,450.546489
90.026878
[ [ 0, 0, 0 ], [ 3.0785255545052084, 2.3018001483084083, 3.748068923450684 ], [ 2.1944250425187937, 5.165966433254691, 7.206633369482342 ], [ 2.2894786449216737, 1.9876294159580692, 6.834787628390743 ], [ 2.9834719521023287, 5.48013716560503, ...
[ [ 3.789036917028295, 0, 0.9685780130759873 ], [ 1.4839136799957073, 7.467766581563099, 2.090557829857039 ], [ 0, 0, 7.89556645 ] ]
[ 59, 59, 59, 14, 14, 28, 28, 28, 28, 28, 28, 28, 28, 28 ]
[ 1, 1, 1 ]
alex<agm003358800>
Immm
Ni-Pr-Si
0.076689
null
null
0
2,143.678861
128.737473
[ [ 0.6955546955409545, 1.7960168662946265, 6.959408021635317 ], [ 4.113806691185546, 1.4452557934084795, 2.121826002041208 ], [ 5.774074915367815, 3.7808759681473516, 4.901292617122003 ], [ 2.355822919723223, 4.1316370410335, 9.738874636716112 ], [ ...
[ [ 4.370702361367463, 0, 1.0087403106540611 ], [ 2.0989272495413074, 5.576892834441979, 0.8788305181032593 ], [ 0, 0, 9.97312981 ] ]
[ 65, 65, 65, 65, 29, 29, 50, 50, 50, 50 ]
[ 1, 1, 1 ]
alex<agm003403084>
C2/m
Cu-Sn-Tb
0.047799
null
null
-0.000003
2,360.195143
60.761646
[ [ 3.3864921275809152, -0.5950913690418159, 8.189232192493515 ], [ 0.5791376963269718, 0.595091369041816, 3.5136054336499876 ], [ 3.721633276524761, 1.7867180942462662, 10.222520250289111 ], [ 1.792687482445451, -0.19536492450101503, 10.87616385414561 ], ...
[ [ 0.10773823574926622, -3.9641660374945613, 0.6536436038564974 ], [ 3.9656298239078867, 0, -0.6536436038564974 ], [ -0.10773823574926622, 3.9641660374945613, 11.702837626143502 ] ]
[ 59, 59, 14, 14, 14, 14, 14, 14, 28, 28, 28, 28 ]
[ 1, 1, 1 ]
alex<agm002186810>
I4/mmm
Ni-Pr-Si
0.077481
null
null
-0.000026
2,035.172914
115.857605
[ [ 0, 0, 0 ], [ -4.051305956605548, -1.8067857033601498, -3.0992575090485937 ], [ -0.2538849910756542, -4.428667626182929, -3.099257509048594 ], [ -3.0577183032061406, -4.428667626182929, 0.565874079920382 ], [ -3.825014139362656, -1.47903437190...
[ [ 2.2387811267040525, -5.907701998086916, 1.7126722327008324 ], [ -6.317680257142364, 0, 1.7126722327008324 ], [ 0, 0, -6.54571081 ] ]
[ 59, 14, 14, 14, 14, 14, 14, 28, 28, 28, 28, 28, 28, 28, 28, 28, 28, 28, 28 ]
[ 1, 1, 1 ]
alex<agm003683723>
R-3m
Ni-Pr-Si
0.071355
null
null
0.000001
1,639.281806
156.717239
[ [ 2.7060996955458303, 4.254829646400153, 7.107939834461251 ], [ 1.7861410450575033, 3.7501894837363645, 1.5743792719502328 ], [ 3.3321400819445994, 1.2133744825974577, 4.264604517350545 ], [ 4.252098732432926, 1.718014645261246, 9.798165079861564 ], [ ...
[ [ 4.073050427881887, 0, 0.8835229653673028 ], [ 1.9651893496085429, 5.468204128997611, 0.7449968264444942 ], [ 0, 0, 9.74402456 ] ]
[ 59, 59, 59, 59, 14, 14, 14, 14, 28, 28 ]
[ 1, 1, 1 ]
alex<agm002316145>
C2/m
Ni-Pr-Si
0.036281
null
null
0.000235
2,565.895179
79.824806
[ [ 5.415371725362623, 2.749651624347262, 9.843459135341826 ], [ 3.8165840010879695, 6.5194664092259185, 6.015300186114982 ], [ 1.9926670871678762, 4.61467184536472, 2.783968057335428 ], [ 3.5914548114425298, 0.8448570604860636, 6.612127006562273 ], [ ...
[ [ 5.3275696854731, 0, 2.0096133177735203 ], [ 2.080469127057399, 7.364323469711982, 2.5512012249037346 ], [ 0, 0, 8.06661265 ] ]
[ 59, 59, 59, 59, 14, 14, 14, 14, 14, 14, 28, 28, 28, 28, 28, 28, 28, 28, 28, 28 ]
[ 1, 1, 1 ]
alex<agm003345822>
Ibam
Ni-Pr-Si
0.035427
null
null
0.000054
2,119.791027
124.62484
[ [ 3.1473235183869304, 2.352991943736863, 4.091249745237021 ], [ 0, 0, 0 ], [ 2.347262872736543, 2.9232365937047624, 7.310407766814724 ], [ 4.131529749459948, 5.231551280866557, 8.508633018947679 ], [ 1.363056641663525, 0.044677256575067575, ...
[ [ 3.921880586063267, 0, 0.9747090058755578 ], [ 1.5727058050602063, 5.276228537441625, 2.049471286176187 ], [ 0, 0, 8.37747722 ] ]
[ 59, 59, 59, 14, 14, 28, 28, 28, 28 ]
[ 1, 1, 1 ]
alex<agm003338109>
C2/m
Ni-Pr-Si
0.025364
null
null
0.000048
2,408.365835
97.99398
[ [ 3.1738586896498925e-33, 5.592951598910422e-17, 3.0766331254564805 ], [ -1.631500455749981e-16, 2.664442444770027, 5.81304522727176 ], [ 4.416182, -2.6644424447700277, 5.813045227271759 ], [ 2.208091, -3.922488819059207e-16, 5.5440883048228216 ], [ ...
[ [ 4.416182, 0, 2.704131575376078e-16 ], [ -3.898336142691205e-16, 6.366466062550244, 3.6756808950000015 ], [ 3.898336142691205e-16, -6.366466062550244, 3.675680894999999 ] ]
[ 65, 65, 65, 12, 12, 12, 31, 31, 31 ]
[ 1, 1, 1 ]
mp-1205835
P-62m
Ga-Mg-Tb
0
0
null
0.000002
2,519.416268
55.418919
[ [ 0, 0, -3.55054209 ], [ 0, 0, 0 ], [ -2.359648685, 1.3623438034776965, -1.775271045 ], [ -2.359648685, -1.3623438034776967, -5.325813135000001 ], [ -2.359648685, 1.3623438034776965, -5.325813135 ], [ -2.359648685, -1.3623438034...
[ [ -2.3596486850000002, -4.087031410433089, -5.779472418395022e-16 ], [ -2.3596486849999994, 4.087031410433089, 2.889736209197511e-16 ], [ 0, 0, -7.10108418 ] ]
[ 65, 65, 12, 12, 31, 31 ]
[ 1, 1, 1 ]
alex<agm002220568>
P6_3/mmc
Ga-Mg-Tb
0.099938
null
null
-0.000091
2,519.416268
49.430866
[ [ -3.957989860337663, -0.0026399687834579204, -1.9154792100652942 ], [ -0.6559895047878131, -2.953774127721936, 1.3181455099347053 ], [ -2.1398324171621104, -2.3930380431614284, -2.998910703061261 ], [ -1.379201419195051, -1.5419741163920373, -0.8320477170...
[ [ 0.44310560731907866, -3.936080844863655, 1.3181455099347053 ], [ -3.960943700248742, 0, 1.3181455099347053 ], [ 0, 0, -6.46724944 ] ]
[ 65, 12, 31, 31, 31 ]
[ 1, 1, 1 ]
alex<agm002286897>
I-4m2
Ga-Mg-Tb
0.064564
null
null
-0
2,299.295819
54.909157
[ [ 0.30713638130490883, 3.1429058325, 1.8208016265373765 ], [ 3.7347173307250703, 1.0476352775, 9.818998170469296 ], [ 3.210058123506154, 3.1429058325, 6.708652421706824 ], [ 0.8317955885238254, 1.0476352775, 4.931147375299849 ], [ 1.514360481496992...
[ [ 4.04185371202998, 0, -0.6817877929933279 ], [ -2.565966378528448e-16, 4.19054111, 2.565966378528448e-16 ], [ 0, 0, 12.32158759 ] ]
[ 65, 65, 12, 12, 31, 31, 31, 31, 31, 31 ]
[ 1, 1, 1 ]
alex<agm003729138>
Cmcm
Ga-Mg-Tb
0.027071
null
null
0.000486
2,299.295819
59.243679
[ [ -4.911349096188839, 1.3206067371019856, -5.090254579144994 ], [ 1.6609526805348747, -1.320606737101985, -5.796507828099441 ], [ -1.6609526805348758, 1.3206067371019854, -2.791877231900559 ], [ 4.9113490961888395, -1.3206067371019852, -3.498130480855006 ...
[ [ -4.048603545036613, -7.012387038152349, -2.8627950212692737 ], [ -4.048603542344077, 7.012387038152349, -2.8627950193653633 ], [ 8.09720708738069, 0, -2.8627950193653633 ] ]
[ 65, 65, 65, 65, 65, 65, 65, 65, 65, 65, 65, 65, 29, 29, 29, 29, 29, 29, 50 ]
[ 1, 1, 1 ]
alex<agm003694152>
Im-3
Cu-Sn-Tb
0.040311
null
null
-0.00002
2,772.589502
52.068497
[ [ 2.2255623617648888, 5.227159559678121, 4.2543434038374075 ], [ -2.242454763617221e-8, 1.7993298458407094, 0.012975689652807737 ], [ 2.1819343269048166e-8, 4.6471265130270325, -1.6742932440552496 ], [ 2.2255623615982647, 7.00199330682884, -1.4170676593269...
[ [ 4.45112468, 0, 2.725527795983894e-16 ], [ -2.225562340659659, 7.026489405518831, -4.248222116509785 ], [ 0, 0, 8.51554121 ] ]
[ 65, 65, 12, 12, 12, 12, 12, 12, 31, 31, 31, 31 ]
[ 1, 1, 1 ]
alex<agm003426343>
Immm
Ga-Mg-Tb
0.087962
null
null
0
2,138.709072
45.52594
[ [ 0, 0, 5.722756687988261 ], [ 0, 0, 1.721163112011738 ], [ 1.8398264599999998, 1.83982646, 3.7219599000000003 ], [ 1.8398264599999998, 1.83982646, 2.2531375852256057e-16 ] ]
[ [ 3.67965292, 0, 2.2531375852256057e-16 ], [ -2.2531375852256057e-16, 3.67965292, 2.2531375852256057e-16 ], [ 0, 0, 7.4439198 ] ]
[ 65, 65, 12, 31 ]
[ 1, 1, 1 ]
alex<agm001136939>
P4/mmm
Ga-Mg-Tb
0.060742
null
null
-0.000001
2,743.437255
27.882076
[ [ 5.544371688662006e-16, 3.1755381229569513, -6.581579947706467e-17 ], [ 2.220446049250313e-16, 9.526614368870852, 3.3306690738754696e-16 ], [ 0, 0, 0 ], [ 3.323925639411693e-16, 6.351076245913902, -5.099050093271272e-16 ] ]
[ [ 1.496963027106174, 4.234050830609268, 2.5928160200000003 ], [ 1.496963027106174, 4.234050830609268, -2.5928160199999994 ], [ -2.9939260542123476, 4.234050830609268, 0 ] ]
[ 65, 65, 12, 31 ]
[ 1, 1, 1 ]
alex<agm002220569>
Fm-3m
Ga-Mg-Tb
0.055531
null
null
-0.000045
2,743.437255
48.770607
[ [ -3.94086068286516, 0.7697321842229564, -5.895243630693932 ], [ -0.41394859394634215, -0.769732184222956, -1.522773876706992 ], [ -3.9363147688036726, -3.2706711807277538, -5.87852069544258 ], [ -3.0360038524881205, 0.8588323972491538, -2.5665876642515473...
[ [ -4.354809276811502, 0, 1.183804832599077 ], [ -0.836989016015659, 6.5413423614555075, -3.078993623916687 ], [ 0.836989016015659, -6.5413423614555075, -5.522828716083313 ] ]
[ 65, 65, 65, 12, 12, 12, 12, 31, 31, 31, 31 ]
[ 1, 1, 1 ]
alex<agm003381574>
Immm
Ga-Mg-Tb
0.059072
null
null
-0
2,411.231527
50.133396
[ [ 2.5435468737316054, -3.376040001734559, -0.6528976481289291 ], [ -1.5189280340911775, -0.3041763313866377, -4.665905295099264 ], [ -0.4725928698390098, -1.528698037112448, -1.4517300335628909 ], [ 0.5789840229863685, -5.294485219600652, 1.778546898836066...
[ [ 4.984000843724004, 0, -1.6224801253951702 ], [ 1.2447234794396984, -7.314735611048914, 3.82359252025942 ], [ -4.984000843724004, 0, -6.843788814604831 ] ]
[ 65, 65, 65, 65, 65, 65, 65, 65, 12, 31, 31 ]
[ 1, 1, 1 ]
alex<agm003530902>
C2/m
Ga-Mg-Tb
0.061649
null
null
-0.000003
2,939.370387
49.07341
[ [ 0, 0, 0 ], [ 2.15034988, 3.4648927171730755, 4.551571518634428 ], [ -1.7488978879729375e-16, 2.8561670012783904, 2.2648202056926587 ], [ 2.15034988, 0.7434590868296118, 2.7928934141172994 ], [ -8.279743952560027e-17, 1.3521848027242969, 5...
[ [ 4.30069976, 0, 2.633419097588895e-16 ], [ -2.57687228322894e-16, 4.208351804002687, -1.1202494772482714 ], [ 0, 0, 8.46471441 ] ]
[ 65, 12, 12, 12, 12, 31, 31 ]
[ 1, 1, 1 ]
alex<agm003461882>
Cmmm
Ga-Mg-Tb
0.094866
null
null
-0.000136
2,038.027336
42.619083
[ [ 0, 0, 0 ], [ 0, 0, 7.568690629326761 ], [ 0, 0, 3.531111270673239 ], [ 1.8254397499999997, 1.82543975, 5.54990095 ], [ 1.8254397499999997, 1.82543975, 9.26562612383838 ], [ 1.8254397499999997, 1.82543975, 1.834175776161619...
[ [ 3.6508795, 0, 2.2355189468738444e-16 ], [ -2.2355189468738444e-16, 3.6508795, 2.2355189468738444e-16 ], [ 0, 0, 11.0998019 ] ]
[ 65, 65, 65, 12, 31, 31 ]
[ 1, 1, 1 ]
alex<agm003437984>
P4/mmm
Ga-Mg-Tb
0.074528
null
null
-0
2,740.096074
36.306526
[ [ 0, 0, 0 ], [ 0, 0, 7.417302294052357 ], [ 0, 0, 3.9845021859476413 ], [ 1.8453159199999998, 1.84531592, 9.450953795165239 ], [ 1.8453159199999998, 1.84531592, 1.9508506848347615 ], [ 1.8453159199999998, 1.84531592, 5.70090...
[ [ 3.69063184, 0, 2.259860234843653e-16 ], [ -2.259860234843653e-16, 3.69063184, 2.259860234843653e-16 ], [ 0, 0, 11.40180448 ] ]
[ 65, 65, 65, 12, 12, 31 ]
[ 1, 1, 1 ]
alex<agm003437983>
P4/mmm
Ga-Mg-Tb
0.061482
null
null
0.004213
2,747.03343
32.063328
[ [ 2.103420535, 2.210856285, 2.2108562850000006 ], [ 2.103420535, 0, 1.2879736127242818e-16 ], [ -1.3537590364000293e-16, 2.210856285, 1.3537590364000293e-16 ], [ 0, 0, 2.210856285 ] ]
[ [ 4.20684107, 0, 2.5759472254485636e-16 ], [ -2.7075180728000585e-16, 4.42171257, 2.7075180728000585e-16 ], [ 0, 0, 4.42171257 ] ]
[ 65, 12, 31, 31 ]
[ 1, 1, 1 ]
alex<agm001214015>
P4/mmm
Ga-Mg-Tb
0.058598
null
null
0.000066
2,385.574539
52.560951
[ [ 3.2756787224999995, 1.1521295245558947, 3.118945941255092 ], [ 1.0918929074999997, 4.576338144668329, 2.762486134370615 ], [ 3.2756787224999995, 1.2389100239922959, 6.836078842907178 ], [ 1.0918929074999997, 4.489557645231927, -0.9546467672814705 ], ...
[ [ 4.36757163, 0, 2.6743663083631437e-16 ], [ -3.5076747975672717e-16, 5.728467669224223, -2.1581899043742925 ], [ 0, 0, 8.03962198 ] ]
[ 65, 65, 65, 65, 29, 29, 50, 50 ]
[ 1, 1, 1 ]
alex<agm003629173>
P2_1/m
Cu-Sn-Tb
0.079909
null
null
0.000464
2,540.642167
54.776108
[ [ 2.151751255, 1.2856676942056764, 2.4288457607943235 ], [ 2.151751255, 2.4288457607943235, 6.143359215794324 ], [ 2.1517512549999998, 6.143359215794324, 5.000181149205677 ], [ 2.1517512549999998, 5.000181149205677, 1.2856676942056768 ], [ -2.27448...
[ [ 4.30350251, 0, 2.6351352869970506e-16 ], [ -4.548967013055526e-16, 7.42902691, 4.548967013055526e-16 ], [ 0, 0, 7.42902691 ] ]
[ 65, 65, 65, 65, 12, 12, 31, 31, 31, 31 ]
[ 1, 1, 1 ]
alex<agm002160622>
P4/mbm
Ga-Mg-Tb
0.022065
null
null
-0
2,621.330178
48.427025
[ [ 1.8602016199999998, 1.86020162, 1.7051939108067944 ], [ 1.8602016199999998, 1.86020162, 5.6476812537201715 ], [ 1.8602016199999998, 1.86020162, 9.56005595 ], [ 1.8602016199999998, 1.86020162, 13.47243064627983 ], [ 1.8602016199999998, 1.86020...
[ [ 3.72040324, 0, 2.278089959701721e-16 ], [ -2.278089959701721e-16, 3.72040324, 2.278089959701721e-16 ], [ 0, 0, 19.1201119 ] ]
[ 65, 65, 65, 65, 65, 12, 12, 12, 12, 31 ]
[ 1, 1, 1 ]
alex<agm003644708>
P4/mmm
Ga-Mg-Tb
0.055004
null
null
0.000023
2,750.114201
43.861145
[ [ -1.3019732238410745e-16, 2.126283635, 1.3019732238410745e-16 ], [ 2.126283635, 0, 1.3019732238410745e-16 ], [ 2.126283635, 2.126283635, 2.4426510750000006 ], [ 0, 0, 2.442651075 ] ]
[ [ 4.25256727, 0, 2.603946447682149e-16 ], [ -2.603946447682149e-16, 4.25256727, 2.603946447682149e-16 ], [ 0, 0, 4.88530215 ] ]
[ 58, 58, 21, 14 ]
[ 1, 1, 1 ]
alex<agm001225056>
P4/mmm
Ce-Sc-Si
0.093086
null
null
0.001677
3,111.205844
77.996147
[ [ 1.89973688, 0.07607841014156791, 0.18704159236054177 ], [ -1.7833621679037854e-16, 2.9124514417470113, 1.5400796369929985 ], [ 1.89973688, 1.177197725552447, 2.894183445930812 ], [ -1.0837201696881184e-16, 1.7698493483062163, 4.351238942281193 ] ]
[ [ 3.79947376, 0, 2.3265066893141796e-16 ], [ -2.402160325154108e-16, 3.9230255234841356, -1.595675220795469 ], [ 0, 0, 5.62028802 ] ]
[ 58, 21, 14, 14 ]
[ 1, 1, 1 ]
alex<agm003629973>
Amm2
Ce-Sc-Si
0.074604
null
null
0.00666
2,871.927711
88.454613
[ [ 2.303870374924128, 5.475508803282439, 4.351732888459064 ], [ 5.154607519924128, 3.6900272974150834, 4.458934597069411 ], [ 0.5468667700758716, 2.420330103049932, 1.4148437266162393 ], [ 3.3976039150758717, 0.6348485971825758, 1.5220454352265858 ], [ ...
[ [ 5.70147429, 0, 3.491146119834714e-16 ], [ -3.7415148160629115e-16, 6.110357400465015, -2.539745826314351 ], [ 0, 0, 8.41352415 ] ]
[ 11, 11, 11, 11, 58, 58, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9 ]
[ 1, 1, 1 ]
alex<agm003485568>
P2_1/c
Ce-F-Na
0.066933
null
null
-0
2,093.850051
42.205757
[ [ 2.55562633, -1.6459236804960955, 2.85082344 ], [ 2.55562633, 1.645923680496095, 2.8508234400000005 ], [ 0, 0, 0 ], [ 3.835110056819395, 1.5485314136585162, 0.8940450285243365 ], [ 3.835110056819395, 4.329873082624637e-17, 3.91355682295132...
[ [ 5.11125266, 0, 3.1297396048511974e-16 ], [ -3.0235127504405605e-16, 4.937771041488285, 2.850823440000001 ], [ 3.0235127504405605e-16, -4.937771041488285, 2.850823439999999 ] ]
[ 11, 11, 58, 9, 9, 9, 9, 9, 9 ]
[ 1, 1, 1 ]
alex<agm002210404>
P-31m
Ce-F-Na
0
null
null
0
2,093.850051
33.947197
[ [ 3.6918411556485236, 1.1195986223836476, 5.7614328554836955 ], [ 2.079745009182795, 2.5443767088474463, 8.735528385130813 ], [ 0.3627204726300048, 3.840784562106895, 5.7614328554836955 ], [ 0.1644594645714755, 0.2012010267401034, 6.721580769507921 ], ...
[ [ 5.114519646831072, 0, 2.3319020101778305 ], [ -1.0175404359299847, 5.0122771949552485, 2.3319020101778305 ], [ 0, 0, 6.68006929 ] ]
[ 11, 11, 11, 58, 9, 9, 9, 9, 9, 9, 9 ]
[ 1, 1, 1 ]
mp-38102
Cm
Ce-F-Na
0.005086
2.6973
null
null
1,953.750455
37.355518
[ [ 1.5954242892346393, 1.5790748844577516, 3.0340406224283143 ], [ 4.172710431649511, 1.970786642248923, 4.685467547503238 ], [ 2.71858677361744, 0, 1.120063648495608 ], [ 3.0823561006086035, 4.670382415802705, 8.29949780892007 ], [ 5.65964224302347...
[ [ 5.43717354723488, 0, 2.240127296991216 ], [ 1.8178929850232344, 6.641169058051628, 3.166249839432091 ], [ 0, 0, 7.57858822 ] ]
[ 11, 11, 11, 11, 11, 58, 58, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9 ]
[ 1, 1, 1 ]
alex<agm003368934>
C2/m
Ce-F-Na
0.025176
null
null
0.003654
2,035.049509
47.076019
[ [ 0, 9.481445698405516, 3.3306690738754696e-16 ], [ 0.7462582311420997, 3.688166155225362, -1.2925572235150515 ], [ -1.48986552397433e-8, 1.5774290900581749, -2.580522836571929e-8 ], [ -1.492516506980165, 3.6881661552253635, -2.5805226682505133e-8 ], [...
[ [ 1.4898654552876807, 4.213975865958007, 2.5805226650000006 ], [ 1.4898654552876807, 4.213975865958007, -2.5805226649999997 ], [ -2.979730910575361, 4.213975865958007, 0 ] ]
[ 65, 29, 29, 29, 29, 50 ]
[ 1, 1, 1 ]
alex<agm002267172>
F-43m
Cu-Sn-Tb
0.095207
null
null
0
2,000.454825
91.68837
[ [ 0.04405052176204595, 2.7293854536683546, 6.329973666852833 ], [ 0, 0, 4.378848915 ], [ 5.9437024951252715, 3.272576846331645, 2.2412512144713133 ], [ 3.0379270302057053, 0.271595696331645, 1.8578882775149075 ], [ 2.993876508443659, 3.00098115...
[ [ 5.987753016887318, 0, -0.18647294867585262 ], [ -3.675141959649043e-16, 6.0019623, 3.675141959649043e-16 ], [ 0, 0, 8.75769783 ] ]
[ 11, 11, 11, 11, 11, 11, 58, 58, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9 ]
[ 1, 1, 1 ]
alex<agm003568625>
P2_1/c
Ce-F-Na
0.039983
null
null
0.006321
1,980.433159
38.1348
[ [ 0, 0, 0 ], [ 1.550177313341852, -1.2661989442467545, 3.4694901300000005 ], [ 3.6186629667092203, 1.2661989442467554, 1.1600386988128404 ], [ 2.068485653367369, 2.53239788849351, 4.629528828812839 ], [ 0.014216728319949516, 3.1015422597184776,...
[ [ 1.0318689733163355, -5.06479577698702, 2.3094514311871603 ], [ 5.168840280051073, 0, -2.3094514311871603 ], [ -1.0318689733163355, 5.06479577698702, 4.629528828812839 ] ]
[ 11, 11, 58, 58, 9, 9, 9, 9, 9, 9, 9, 9 ]
[ 1, 1, 1 ]
alex<agm002271356>
I4_1/amd
Ce-F-Na
0.006516
null
null
0.01101
2,341.473654
61.766109
[ [ 1.3276145, 0.06059462871, 2.143302681276 ], [ 1.3276144999999997, 3.01527712871, 1.0474463187240002 ], [ 3.982843499999999, 5.8487703712900005, 4.238195318724 ], [ 3.9828434999999995, 2.89408787129, 5.334051681276 ], [ 0.43390159180599985, 2....
[ [ 5.310458, 0, 3.2517176958532274e-16 ], [ -3.6184424661216994e-16, 5.909365, 3.6184424661216994e-16 ], [ 0, 0, 6.381498 ] ]
[ 66, 66, 66, 66, 5, 5, 5, 5, 5, 5, 5, 5, 76, 76, 76, 76 ]
[ 1, 1, 1 ]
mp-1189918
Pnma
B-Dy-Os
0
0
null
-0.000006
6,085.414263
197.54985
[ [ 1.8966873405398246, -1.178741140208269, -2.96767014 ], [ 0, 0, 0 ], [ -0.44418300812370526, 0.2760480202856517, -2.9676701400000005 ], [ 2.917617370207617, 1.454789160493921, -1.9175334095333607 ], [ -3.3491916729559428, 2.0814342601308855, ...
[ [ -2.3282616432881516, 4.714964560833076, -1.9175334095333603 ], [ 5.258487718871147, 0, -1.9175334095333603 ], [ -2.9302260755829956, -4.714964560833076, -2.1002734609332796 ] ]
[ 66, 66, 5, 5, 5, 5, 76, 76, 76, 76 ]
[ 1, 1, 1 ]
alex<agm002199418>
Fddd
B-Dy-Os
0
null
null
-0.000022
7,101.147398
171.504044
[ [ 0, 0, 0 ], [ 2.7254560768365175, -1.1918712794798654, 1.4269502592663126 ], [ 1.0191192864362868, 1.191871279479866, 2.5859108999933724 ], [ 2.663031146155005, 0.9247832293428492, 1.2685534442596844 ], [ 1.0815442171177994, -0.924783229342849...
[ [ 0.5816015051983925, -3.6991329173713967, 1.4757542707403157 ], [ 3.7445753632728045, 0, -1.4757542707403157 ], [ -0.5816015051983925, 3.6991329173713967, 4.012861159259685 ] ]
[ 66, 5, 5, 76, 76 ]
[ 1, 1, 1 ]
alex<agm003398665>
I4/mmm
B-Dy-Os
0.091367
null
null
-0.000001
7,101.147398
166.073349
[ [ 4.427707141008025, 2.203188479533144, 3.1586108178715913 ], [ 3.425817746796578, 3.0067273425549246, 6.438543652015244 ], [ 1.9617214161803114, 2.604957911044034, 4.198335138240045 ], [ 2.083661843467135, 0.5245230194504927, 6.802211449516624 ], [ ...
[ [ 3.847954282170138, 0, 1.175397416015324 ], [ 1.836834904943973, 5.209915822088068, 0.8729803734945251 ], [ 0, 0, 6.88631394 ] ]
[ 66, 66, 5, 5, 5, 5, 5, 76, 76, 76 ]
[ 1, 1, 1 ]
alex<agm002200034>
C2
B-Dy-Os
0.031145
null
null
-0
6,642.718835
169.916306
[ [ 0, 0, 0 ], [ 3.02884531, -1.6042898787133308, 2.77871158 ], [ 3.02884531, 1.6042898787133304, 2.7787115800000004 ], [ 1.514422655, 0, 2.77871158 ], [ 1.5144226549999997, -2.4064348180699957, 4.168067369999999 ], [ 1.51442265499999...
[ [ 3.02884531, 0, 1.8546328570019864e-16 ], [ -2.9470326973061637e-16, 4.812869636139991, 2.778711580000001 ], [ 2.9470326973061637e-16, -4.812869636139991, 2.778711579999999 ] ]
[ 66, 5, 5, 76, 76, 76 ]
[ 1, 1, 1 ]
alex<agm002255603>
P6/mmm
B-Dy-Os
0.055017
null
null
-0.000001
7,604.904268
237.783707
[ [ 3.345352775, 3.345352775, 3.3453527750000003 ], [ 0, 0, 0 ], [ 3.345352775, 0, 5.0180291624999995 ], [ -1.0242188919806164e-16, 1.6726763875, 3.345352775 ], [ 5.0180291624999995, 3.345352775, 5.121094459903082e-16 ], [ 3.345352775...
[ [ 6.69070555, 0, 4.0968755679224657e-16 ], [ -4.0968755679224657e-16, 6.69070555, 4.0968755679224657e-16 ], [ 0, 0, 6.69070555 ] ]
[ 68, 68, 46, 46, 46, 46, 46, 46, 16, 16, 16, 16, 16, 16, 16, 16 ]
[ 1, 1, 1 ]
mp-1189243
Pm-3n
Er-Pd-S
0.003027
0
null
null
5,206.493553
60.840485
[ [ 1.1398381488081841e-32, -1.9433788785680288e-17, 3.0696200037878403 ], [ -1.6277814841560195e-16, 2.6583689032451554, 5.96846545810608 ], [ 4.18969, -2.6583689032451545, 5.968465458106079 ], [ 2.094845, 1.618178032586877e-16, 5.61861023323266 ], [ ...
[ [ 4.18969, 0, 2.565445223959837e-16 ], [ -3.978894081104118e-16, 6.49802715995237, 3.7516377300000014 ], [ 3.978894081104118e-16, -6.49802715995237, 3.751637729999999 ] ]
[ 60, 60, 60, 50, 50, 50, 77, 77, 77 ]
[ 1, 1, 1 ]
mp-1205749
P-62m
Ir-Nd-Sn
0
0
null
0.000121
5,242.582206
114.557777
[ [ 3.4774491299999997, 3.8055354725962225, 6.62351399375126 ], [ 1.1591497099999997, 7.070416082403778, 2.55267081875126 ], [ 3.47744913, 0.1802182875962224, 5.589015531248742 ], [ 1.1591497099999999, 3.4450988974037777, 1.518172356248741 ], [ 1.159...
[ [ 4.63659884, 0, 2.8390979641681657e-16 ], [ -4.439733086504143e-16, 7.25063437, 4.439733086504143e-16 ], [ 0, 0, 8.14168635 ] ]
[ 60, 60, 60, 60, 50, 50, 50, 50, 77, 77, 77, 77 ]
[ 1, 1, 1 ]
alex<agm002243512>
Pnma
Ir-Nd-Sn
0.010333
null
null
0.000192
5,242.582206
113.106056
[ [ -5.686154941777403e-34, 8.803373822579743e-17, 2.1411784308312045 ], [ 1.1354404127157143e-16, -1.8543149151351255, 7.5476170245843965 ], [ 3.4346876574685284e-16, -5.6092706237584435, 3.238513904584396 ], [ 1.9252308200000006, -2.999059961224798, 1.7315...
[ [ 3.85046164, 0, 2.357727761332834e-16 ], [ -4.570128070184242e-16, 7.463585538893569, 4.309103120000001 ], [ 4.570128070184242e-16, -7.463585538893569, 4.309103119999998 ] ]
[ 65, 65, 65, 65, 65, 65, 29, 50, 50 ]
[ 1, 1, 1 ]
alex<agm002267713>
P-62m
Cu-Sn-Tb
0.078636
null
null
0.007115
2,735.07613
61.087025
[ [ 0, 0, 1.7367247164749997 ], [ -1.3898957396371003e-16, 2.269872, 10.582343771274 ], [ 2.255841, 2.269872, 6.903609378114 ], [ 2.255841, 0, 15.672800336426999 ], [ -1.3898957396371003e-16, 2.269872, 4.098147089691 ], [ 0, 0, ...
[ [ 4.511682, 0, 2.7626084600353646e-16 ], [ -2.7797914792742006e-16, 4.539744, 2.7797914792742006e-16 ], [ 0, 0, 17.441373 ] ]
[ 60, 60, 60, 60, 50, 50, 50, 50, 50, 50, 50, 50, 77 ]
[ 1, 1, 1 ]
mp-1220633
Pmm2
Ir-Nd-Sn
0.021722
0
null
-0
2,942.210994
58.201435
[ [ -2.661842167146849, -1.5953690058349173, -9.561628289367786 ], [ -1.3919042795254744, -0.834234641727131, -4.525676102193435 ], [ -5.494261548007517, -3.2929730739960124, -8.060555098982153 ], [ -4.224323660386142, -2.531838709888226, -3.024602911807803 ...
[ [ -2.2062666683154974, -4.127207715723143, -1.1185906705877944 ], [ -4.679899159217494, 0, -1.1185906705877944 ], [ 0, 0, -10.34904986 ] ]
[ 60, 60, 60, 60, 50, 77, 77 ]
[ 1, 1, 1 ]
alex<agm003458559>
R-3m
Ir-Nd-Sn
0.078721
null
null
0
5,070.665079
89.405777
[ [ -2.148041454280305, -2.5143241899320437, 1.0587626743579925 ], [ -3.504178941860657, -1.4880064115495604, -2.3028121041931504 ], [ -0.9225411520650357, -3.693555327883798, -2.3028121041931495 ], [ -0.04230525539933994, -0.049519122082051385, -0.123142156...
[ [ 0.6965769400911619, -4.405956874068673, 1.7545354368824353 ], [ -4.460681047734725, 0, 1.7545354368824353 ], [ 0, 0, -6.47214247 ] ]
[ 60, 50, 50, 50, 77 ]
[ 1, 1, 1 ]
alex<agm002243292>
I4mm
Ir-Nd-Sn
0.091704
null
null
0.000062
3,993.902444
70.009796
[ [ 5.169395086569002, 1.8824752258237634, 8.238483614293633 ], [ 4.155421718544557, 1.42014234047317, 2.36070331945541 ], [ 1.4388449614446936, 3.7712245884794515, 4.001561596188024 ], [ 2.4528183294691384, 4.233557473830045, 9.879341891026247 ], [ ...
[ [ 4.461233074798861, 0, 1.0102507884938665 ], [ 2.1470069732148342, 5.653699814303215, 0.8743423719877901 ], [ 0, 0, 10.35545205 ] ]
[ 60, 60, 60, 60, 50, 50, 50, 50, 77, 77 ]
[ 1, 1, 1 ]
alex<agm002357662>
C2/m
Ir-Nd-Sn
0.012146
null
null
0.000314
4,210.080335
83.449692
[ [ -4.720944040726975, -2.8929069921897197, -3.1611119527807094 ], [ -0.03337708704224625, -0.020452860201361056, -9.25405682433779 ], [ -3.7586218452777103, -2.3032137901652687, -6.334330213878061 ], [ -0.9689553525629305, -0.5937578777394937, -6.169025583...
[ [ -2.3614447694523433, -4.634274378960788, -1.5773484221857477 ], [ -5.201242199577542, 0, -1.5773484221857477 ], [ 0, 0, -9.36411641 ] ]
[ 60, 60, 60, 50, 77, 77, 77, 77, 77, 77, 77, 77 ]
[ 1, 1, 1 ]
alex<agm003585587>
R3m
Ir-Nd-Sn
0.054056
null
null
0.000106
7,431.070395
193.265045
[ [ -4.199140550952791, 5.094420216874115, 0.48602927885442126 ], [ -4.029269569651731, -5.094420216874115, 2.6831332760849107 ], [ -5.684532516633985, 2.1180986990286144, 2.6498813444021474 ], [ -2.543877603970537, -2.1180986990286144, 0.5192812105371835 ...
[ [ -3.599549842236394, -7.212518915902729, -3.573952469879364 ], [ 0, 0, 8.81761444 ], [ -4.628860278368128, 7.212518915902729, -2.074499415181305 ] ]
[ 60, 60, 60, 60, 60, 60, 60, 60, 60, 60, 60, 60, 50, 50, 77, 77, 77, 77 ]
[ 1, 1, 1 ]
alex<agm003502380>
Immm
Ir-Nd-Sn
0.041328
null
null
-0.000001
4,655.271972
71.778412
[ [ 0.0025206219679842715, 0.8042375027563091, 1.8533459675 ], [ 2.266381728220739, 4.760541144354986, 5.5600379025 ], [ 0.011496758704880516, 3.9631184921210747, 0.3248431387060792 ], [ 0.011496758704880516, 3.9631184921210747, 3.381848796293921 ], [ ...
[ [ 4.50826689, 0, 2.760517308270246e-16 ], [ -2.239364539811277, 5.564778647111295, 3.6729970397662083e-16 ], [ 0, 0, 7.41338387 ] ]
[ 60, 60, 50, 50, 50, 50, 77, 77 ]
[ 1, 1, 1 ]
alex<agm002243231>
Cmcm
Ir-Nd-Sn
0
null
null
0
4,489.094217
96.458427
[ [ 0.027324168174220582, 2.5204454296196, 0.35576727448119594 ], [ 5.4435091795711275, 0.44962835273821133, 4.438701921082092 ], [ -0.041110805621274976, 5.641452181487821, 2.2724926936615724 ], [ 2.666412024248113, 2.0845577741670214, 6.062860220499903 ]...
[ [ 6.03396252392248, 0, -1.3649210110609853 ], [ -2.6575020217837633, 7.156687718430927, -3.3936481592361 ], [ 0, 0, 8.35448047 ] ]
[ 60, 60, 60, 60, 60, 60, 60, 60, 50, 50, 77, 77 ]
[ 1, 1, 1 ]
alex<agm003735143>
C2/c
Ir-Nd-Sn
0.070392
null
null
0.001206
4,198.36974
71.941086
[ [ -1.3675146580734112e-16, 2.23332092, 8.262892422167043 ], [ 2.23332092, 0, 2.723370557832956 ], [ -1.3675146580734112e-16, 2.23332092, 1.4370634025051305 ], [ 2.23332092, 2.23332092, 5.49313149 ], [ 2.23332092, 0, 9.54919957749487 ], ...
[ [ 4.46664184, 0, 2.7350293161468223e-16 ], [ -2.7350293161468223e-16, 4.46664184, 2.7350293161468223e-16 ], [ 0, 0, 10.98626298 ] ]
[ 60, 60, 50, 50, 50, 50, 77, 77, 77, 77 ]
[ 1, 1, 1 ]
alex<agm002188879>
P4/nmm
Ir-Nd-Sn
0.018882
null
null
-0
5,645.991625
124.443466
[ [ 0.8880290867331965, 3.5104832750765866, 2.0096291435384197 ], [ 3.753580083581995, 1.4567083775178407, 0.8548563087140364 ], [ 1.9775219702988356, 1.4567083775178407, 4.946877973714036 ], [ -0.8880290265499636, 3.5104832750765866, 6.10165080853842 ], ...
[ [ 5.73110211, 0, 3.5092879272990714e-16 ], [ -2.8655510529679686, 4.967191652594427, -1.2275362127475442 ], [ 0, 0, 8.18404333 ] ]
[ 60, 60, 60, 60, 50, 50, 77, 77, 77, 77 ]
[ 1, 1, 1 ]
alex<agm002357757>
C2/c
Ir-Nd-Sn
0
null
null
-0
5,788.812169
112.7286
[ [ 0, 0, -2.01417728176 ], [ 0, 0, -6.0464027817599995 ], [ -2.551292135, -1.4729892009236256, -0.459746287059001 ], [ -2.5512921349999993, 1.4729892009236247, -4.491971787059001 ], [ -2.551292135, -1.4729892009236256, -3.735703701181 ], ...
[ [ -2.5512921350000006, -4.418967602770875, -6.248863493635134e-16 ], [ -2.5512921349999997, 4.418967602770875, 3.124431746817567e-16 ], [ 0, 0, -8.064451 ] ]
[ 63, 63, 80, 80, 82, 82 ]
[ 1, 1, 1 ]
mp-1018698
P6_3mc
Eu-Hg-Pb
0.015207
0
null
0.077188
2,618.788611
43.515079
[ [ -0.17372265515019777, 1.4259504547970607, 5.743841393671776 ], [ 3.0621074518574414, -3.6647408316181704, 3.239788156328223 ], [ 4.4863271249687, -3.4773573126757653, 2.865440974272841e-16 ], [ 0, 0, 0 ], [ 4.119523324225193, 3.66474083161817...
[ [ 1.7910234738547643, -6.9547146253515315, 3.586428488137162 ], [ 7.181630776082636, 0, -3.586428488137162 ], [ -1.7910234738547643, 6.9547146253515315, 5.397201061862837 ] ]
[ 60, 60, 60, 60, 60, 60, 60, 60, 60, 60, 50, 50, 77, 77, 77, 77 ]
[ 1, 1, 1 ]
alex<agm003477527>
I4/mcm
Ir-Nd-Sn
0.007782
null
null
0.000233
4,838.49965
76.616859
[ [ 1.8761950649999997, 6.3596769564354405, 5.14812942356456 ], [ 1.8761950649999999, 2.5237414964354405, 6.3596769564354405 ], [ 1.8761950649999999, 5.148129423564559, 1.31219396356456 ], [ 1.876195065, 1.3121939635645596, 2.5237414964354405 ], [ 0,...
[ [ 3.75239013, 0, 2.2976762809283106e-16 ], [ -4.69766608282483e-16, 7.67187092, 4.69766608282483e-16 ], [ 0, 0, 7.67187092 ] ]
[ 67, 67, 67, 67, 48, 48, 46, 46, 46, 46 ]
[ 1, 1, 1 ]
mp-1206107
P4/mbm
Cd-Ho-Pd
0
0
null
0.00018
4,383.103747
73.341942
[ [ 4.347072716730095, 3.3540136848236566, 7.092746762545478 ], [ 1.2832906668320343, 1.405430911009628, 2.724318746868585 ], [ 0, 0, 0 ], [ 2.4875141979389945, 1.2989805068569773, 5.620417352967107 ], [ 3.142849185623135, 3.460464088976307, ...
[ [ 4.187358869720043, 0, 1.9273648987658967 ], [ 1.4430045138420862, 4.759444595833284, 2.3773272706481667 ], [ 0, 0, 5.51237334 ] ]
[ 67, 67, 48, 46, 46 ]
[ 1, 1, 1 ]
alex<agm002350760>
Immm
Cd-Ho-Pd
0.057428
null
null
0
4,383.103747
73.8965
[ [ 0, 0, 0 ], [ 2.220446049250313e-16, 5.866021342744558, -5.317509066404823e-16 ], [ -1.9598422662819442e-16, 2.9330106713722794, 2.220446049250313e-16 ], [ 4.440892098500626e-16, 8.799032014116836, 6.719145406730579e-17 ] ]
[ [ 1.3826344900132315, 3.9106808951630385, 2.3947931850000006 ], [ 1.3826344900132315, 3.9106808951630385, -2.3947931849999997 ], [ -2.7652689800264625, 3.9106808951630385, 0 ] ]
[ 67, 48, 46, 46 ]
[ 1, 1, 1 ]
mp-864760
Fm-3m
Cd-Ho-Pd
0
0
null
-0.000027
4,814.827077
83.65493
[ [ 1.7410587699999998, 2.3602303, 2.3602303000000004 ], [ 1.74105877, 0, 1.0660910249039639e-16 ], [ -1.4452242410727985e-16, 2.3602303, 1.4452242410727985e-16 ], [ 0, 0, 2.3602303 ] ]
[ [ 3.48211754, 0, 2.1321820498079278e-16 ], [ -2.890448482145597e-16, 4.7204606, 2.890448482145597e-16 ], [ 0, 0, 4.7204606 ] ]
[ 67, 48, 46, 46 ]
[ 1, 1, 1 ]
alex<agm001218722>
P4/mmm
Cd-Ho-Pd
0.064489
null
null
0.000044
4,814.827077
85.9272
[ [ -3.3232589143299047, 0.7834851955504484, -6.893358555283591 ], [ -0.31814053039290385, -0.783485195550447, -1.539226247166484 ], [ -0.3623648745291662, 3.591443573758999, -1.7531923971521906 ], [ -2.5279787205798088, 1.073317780594273, -3.045636675851982...
[ [ -3.641399444722808, 0, 0.7526357375499227 ], [ -0.7247297490583323, 7.182887147517999, -3.5063847943043807 ], [ 0.7247297490583323, -7.182887147517999, -5.678835745695618 ] ]
[ 67, 67, 67, 48, 48, 48, 48, 46, 46, 46, 46 ]
[ 1, 1, 1 ]
alex<agm003377966>
Immm
Cd-Ho-Pd
0.064929
null
null
0
4,031.653793
75.133896
[ [ 0, 0, 3.102722924089546 ], [ 0, 0, 6.49202511403512 ], [ 0, 0, 9.917558515964881 ], [ 0, 0, 13.306860705910454 ], [ 0, 0, 0 ], [ 1.77467484, 1.77467484, 1.4955271153124348 ], [ 1.77467484, 1.77467484, 4.773...
[ [ 3.54934968, 0, 2.1733498623333412e-16 ], [ -2.1733498623333412e-16, 3.54934968, 2.1733498623333412e-16 ], [ 0, 0, 16.40958363 ] ]
[ 67, 67, 67, 67, 48, 46, 46, 46, 46, 46 ]
[ 1, 1, 1 ]
alex<agm003641603>
P4/mmm
Cd-Ho-Pd
0.066878
null
null
-0.000001
4,943.958501
77.935974
[ [ 0, 0, 0 ], [ 3.75927602, 3.4815683027321422, -1.6910561474807635 ], [ 1.2909225285440111, 5.5859540087819095, -0.5365630604428776 ], [ 6.227629511455988, 3.088012239579497, 0.6767291738481541 ], [ 5.050198548544012, 6.569580542311639, -1....
[ [ 7.51855204, 0, 4.603785345004402e-16 ], [ -4.263691477953801e-16, 6.9631366054642845, -3.3821122949615274 ], [ 0, 0, 8.85895407 ] ]
[ 67, 67, 67, 67, 67, 67, 67, 67, 67, 67, 48, 48, 48, 48, 46, 46, 46, 46 ]
[ 1, 1, 1 ]
alex<agm003315700>
Cmce
Cd-Ho-Pd
0.075906
null
null
0.000204
3,605.608432
60.764896
[ [ 3.4934993517101427, -0.2257896805161243, 5.018388122642951 ], [ 0.9583402244251374, 1.0458972493507845, 3.245247562931823 ], [ 2.4422772288587486, -1.3730548153031823, 1.4586125065366484 ] ]
[ [ 0.3226940280477212, -3.686289909685429, 1.0927455424569095 ], [ 3.7003871059642224, 0, -1.0927455424569095 ], [ -0.3226940280477212, 3.686289909685429, 5.718976387543091 ] ]
[ 63, 80, 82 ]
[ 1, 1, 1 ]
alex<agm001843321>
I4mm
Eu-Hg-Pb
0.080822
null
null
0.075655
2,618.788611
26.566408
[ [ -3.9601422409416287, 4.9489516506464994, 0.2920240922840343 ], [ -4.019777754796431, -4.948951650646501, 2.675518965147904 ], [ -5.482652394098213, 2.0093310484367066, 2.482587197179726 ], [ -2.4972676016398467, -2.0093310484367084, 0.4849558602522119 ...
[ [ -3.603885309096948, -6.958282699083209, -3.3286254671171864 ], [ 0, 0, 8.51383785 ], [ -4.376034686641112, 6.958282699083209, -2.217669325450875 ] ]
[ 67, 67, 67, 67, 67, 67, 67, 67, 67, 67, 67, 67, 48, 48, 46, 46, 46, 46 ]
[ 1, 1, 1 ]
alex<agm003502326>
Immm
Cd-Ho-Pd
0.01975
null
null
-0.00001
3,739.302673
53.714336
[ [ 2.3405696022144284, -2.86601968842066, -1.3744624849150773 ], [ -1.716548278915264, -0.3035757910739026, -5.737990685935394 ], [ -0.8171797451783023, -1.9120998869025294, -2.7316269907826314 ], [ 0.3841717807354009, -5.108717721473423, 1.2841898861406587...
[ [ 5.0514232917722115, 0, -1.511158250525839 ], [ 0.6348776375604417, -6.562662886865943, 2.1222368237622895 ], [ -5.0514232917722115, 0, -7.68724189947416 ] ]
[ 67, 67, 67, 67, 67, 67, 67, 67, 48, 48, 46 ]
[ 1, 1, 1 ]
alex<agm003528419>
C2/m
Cd-Ho-Pd
0.082387
null
null
0.000341
3,170.745437
41.487946
[ [ 5.1690194667893055, 0, -1.8262138368311187 ], [ 2.466203084114865, 0, 1.9945496159941605 ], [ 3.812978447426243, 2.3341713955187946, 0.08214362943107803 ], [ 1.1159779844262792, 2.3401503204256593, -1.827204268506307 ], [ 3.814188996082586, 2...
[ [ 5.394000925992035, 0, -1.9056997541247684 ], [ -2.697000466081007, 4.674321715944454, -1.9093478977569087 ], [ 0, 0, 5.72439555 ] ]
[ 67, 48, 48, 48, 46, 46, 46 ]
[ 1, 1, 1 ]
alex<agm003541580>
R-3m
Cd-Ho-Pd
0.078041
null
null
0.000001
4,265.482616
89.230309
[ [ 1.9357977349999997, 3.936058901451392, 5.3827090237008175 ], [ 1.935797735, -1.4378888947165954e-16, 4.5449693325983676 ], [ 1.9357977349999997, 2.693533304978946, 1.5551121787008175 ], [ 3.87159547, 1.7225998257741388, 6.660650216883299 ], [ 1.0...
[ [ 3.87159547, 0, 2.370668499964446e-16 ], [ -4.059454437628576e-16, 6.629592206430337, 3.8275968450000013 ], [ 4.059454437628576e-16, -6.629592206430337, 3.8275968449999986 ] ]
[ 67, 67, 67, 48, 48, 48, 46, 46, 46 ]
[ 1, 1, 1 ]
alex<agm002234396>
P-62m
Cd-Ho-Pd
0.016517
null
null
0.000166
3,931.553842
71.33091
[ [ 1.012915555, 0.3946846035298444, 2.8100000523868522 ], [ 3.0387466649999997, 3.2571798864701553, 7.245825222386853 ], [ 3.0387466649999992, 6.909044376470156, 6.061650287613149 ], [ 1.0129155549999997, 4.046549093529844, 1.6258251176131486 ], [ 3...
[ [ 4.05166222, 0, 2.4809275844746297e-16 ], [ -4.472244158598382e-16, 7.30372898, 4.472244158598382e-16 ], [ 0, 0, 8.87165034 ] ]
[ 67, 67, 67, 67, 48, 48, 48, 48, 46, 46, 46, 46 ]
[ 1, 1, 1 ]
alex<agm002307873>
Pnma
Cd-Ho-Pd
0
null
null
-0
3,931.553842
71.983459
[ [ 3.2743128650739184, -0.20840009844949864, 3.658997888872871 ], [ 2.327004621245293, -1.2883055056945323, 1.034259650403574 ], [ 0.8619082739391195, 0.9825517846379827, 2.3881177213426006 ] ]
[ [ 0.4503245663808382, -3.4276692789117997, 1.2477291502008436 ], [ 3.4571243687032474, 0, -1.2477291502008436 ], [ -0.4503245663808382, 3.4276692789117997, 4.165519759799157 ] ]
[ 67, 48, 46 ]
[ 1, 1, 1 ]
alex<agm001832191>
I4mm
Cd-Ho-Pd
0.071454
null
null
0.000023
3,931.553842
64.441803
[ [ -2.5280632599999997, 1.4595780036894022, -4.3829709825 ], [ -2.52806326, -1.459578003689403, -1.4609903275000002 ], [ 0, 0, 0 ], [ 0, 0, -2.921980655 ], [ -2.52806326, -1.459578003689403, -4.382970982500001 ], [ -2.528063259999999...
[ [ -2.5280632600000006, -4.378734011068209, -6.191969158802046e-16 ], [ -2.5280632599999997, 4.378734011068209, 3.095984579401023e-16 ], [ 0, 0, -5.84396131 ] ]
[ 67, 67, 48, 48, 46, 46 ]
[ 1, 1, 1 ]
alex<agm003604000>
P6_3/mmc
Cd-Ho-Pd
0.045864
null
null
0.000005
3,931.553842
57.365292
[ [ -8.024318941425623e-10, 2.8273765936616293, 6.616050748009142 ], [ 2.257988864574068, 1.5007752124476108, 1.6942375570999197 ], [ -8.398260643431384e-10, 2.9591355759517843, 3.4216144816127976 ], [ 0, 0, 0 ], [ 2.2579888646114625, 1.369016230...
[ [ 4.51597773, 0, 2.765238836032615e-16 ], [ -2.257988866228364, 4.32815180610924, -0.6871327548909385 ], [ 0, 0, 8.99742106 ] ]
[ 67, 67, 48, 48, 48, 46, 46, 46, 46 ]
[ 1, 1, 1 ]
alex<agm003334608>
C2/m
Cd-Ho-Pd
0.026498
null
null
-0
4,453.265256
83.120453
[ [ 0, 0, 0 ], [ 0, 0, 3.198573894523855 ], [ 0, 0, 6.190364558159184 ], [ 0, 0, 9.193060531840814 ], [ 0, 0, 12.184851195476144 ], [ 1.729732325, 1.729732325, 1.6256154485520864 ], [ 1.729732325, 1.729732325, ...
[ [ 3.45946465, 0, 2.1183111551929595e-16 ], [ -2.1183111551929595e-16, 3.45946465, 2.1183111551929595e-16 ], [ 0, 0, 15.38342509 ] ]
[ 67, 48, 48, 48, 48, 46, 46, 46, 46, 46 ]
[ 1, 1, 1 ]
alex<agm003641601>
P4/mmm
Cd-Ho-Pd
0.018225
null
null
0.000071
4,667.952442
99.869186
[ [ 1.891852525, 0, 1.158425569600044e-16 ], [ -2.7549953360518695e-16, 4.499248825, 4.499248825 ], [ -1.8224622543427174e-16, 2.9763067287834937, 0.860533889007526 ], [ -3.687528417761022e-16, 6.022190921216506, 8.137963760992474 ], [ 1.891852524999...
[ [ 3.78370505, 0, 2.316851139200088e-16 ], [ -5.509990672103739e-16, 8.99849765, 5.509990672103739e-16 ], [ 0, 0, 8.99849765 ] ]
[ 67, 67, 48, 48, 48, 48, 48, 48, 48, 48, 46, 46, 46, 46 ]
[ 1, 1, 1 ]
alex<agm003456450>
P4_2/mnm
Cd-Ho-Pd
0.049247
null
null
-0.00001
3,382.273094
66.779205
[ [ 6.621330969689649e-16, 6.325739863027282, 7.30801251180857e-16 ], [ 6.621330969689649e-16, 3.1628699315136406, 5.087566462558257e-16 ], [ 0, 0, 0 ] ]
[ [ 1.4909911843895516, 4.217159908684856, 2.5824724850000003 ], [ 1.4909911843895516, 4.217159908684856, -2.5824724849999994 ], [ -2.9819823687791027, 4.217159908684856, 0 ] ]
[ 63, 80, 82 ]
[ 1, 1, 1 ]
alex<agm001241356>
F-43m
Eu-Hg-Pb
0.044115
null
null
0.071714
2,618.788611
43.64896
[ [ 0, 0, 0 ], [ 0, 0, 7.322785894036921 ], [ 0, 0, 3.9460015559630794 ], [ 1.80199726, 1.80199726, 9.331806505943327 ], [ 1.80199726, 1.80199726, 1.9369809440566736 ], [ 1.80199726, 1.80199726, 5.634393725 ] ]
[ [ 3.60399452, 0, 2.2068101765313009e-16 ], [ -2.2068101765313009e-16, 3.60399452, 2.2068101765313009e-16 ], [ 0, 0, 11.26878745 ] ]
[ 67, 67, 67, 48, 48, 46 ]
[ 1, 1, 1 ]
alex<agm003436865>
P4/mmm
Cd-Ho-Pd
0.013793
null
null
0.000133
3,241.372567
53.79047
[ [ 0, 0, 0 ], [ 0, 0, 7.897965732064037 ], [ 0, 0, 3.481520457935963 ], [ 1.746489335, 1.746489335, 5.689743095 ], [ 1.746489335, 1.746489335, 9.565535211062883 ], [ 1.746489335, 1.746489335, 1.8139509789371167 ] ]
[ [ 3.49297867, 0, 2.1388325738527393e-16 ], [ -2.1388325738527393e-16, 3.49297867, 2.1388325738527393e-16 ], [ 0, 0, 11.37948619 ] ]
[ 67, 67, 67, 48, 46, 46 ]
[ 1, 1, 1 ]
alex<agm002306914>
P4/mmm
Cd-Ho-Pd
0.031518
null
null
0.000001
4,125.040475
55.566628
[ [ 0, 0, 0 ], [ -2.3846269400000004, 1.3767650057258334, -1.9056780466832253 ], [ -2.38462694, -1.3767650057258334, -3.8292437733167755 ], [ 0, 0, -2.86746091 ], [ -2.3846269400000004, 1.3767650057258334, -4.7202571852317865 ], [ -2....
[ [ -2.3846269400000004, -4.130295017177501, -5.840651498463095e-16 ], [ -2.3846269399999995, 4.130295017177501, 2.9203257492315476e-16 ], [ 0, 0, -5.73492182 ] ]
[ 67, 48, 48, 46, 46, 46 ]
[ 1, 1, 1 ]
alex<agm003434047>
P-3m1
Cd-Ho-Pd
0.016422
null
null
-0
4,735.647742
94.260544
[ [ 0.004221723360148667, 0.6437111576994446, 6.582799544999999 ], [ 2.001070754541052, 4.376546229558421, 2.1942665150000003 ], [ 2.0046003765849836, 1.4196487160111977, 0.3858512341834782 ], [ 0.000692101316217056, 3.6006086712466683, 8.391214825816522 ]...
[ [ 4.00934733, 0, 2.4550171871772433e-16 ], [ -2.004054852098799, 5.020257387257866, 3.309902232828621e-16 ], [ 0, 0, 8.77706606 ] ]
[ 67, 67, 48, 48, 48, 48, 46, 46 ]
[ 1, 1, 1 ]
alex<agm002179651>
Cmcm
Cd-Ho-Pd
0
null
null
0.000105
3,335.358554
69.54158
[ [ 5.551115123125783e-16, 9.370459746820718, 2.7196954521802044e-16 ], [ -1.0489957691681497e-16, 3.1234865822735736, -6.109736216952652e-17 ], [ 4.440892098500626e-16, 6.246973164547146, -1.2219472433905305e-16 ], [ 0, 0, 0 ] ]
[ [ 1.4724256955138908, 4.164648776364763, 2.5503161150000007 ], [ 1.4724256955138908, 4.164648776364763, -2.5503161149999998 ], [ -2.944851391027781, 4.164648776364763, 0 ] ]
[ 67, 67, 48, 46 ]
[ 1, 1, 1 ]
alex<agm001095799>
Fm-3m
Cd-Ho-Pd
0.072107
null
null
0.000039
3,681.598437
56.711784
[ [ -1.5465766745411222e-16, 2.525751385, 1.5465766745411222e-16 ], [ 0, 0, 2.525751385 ], [ 1.840530355, 0, 1.126999803992146e-16 ], [ 1.8405303549999998, 2.525751385, 2.5257513850000004 ] ]
[ [ 3.68106071, 0, 2.253999607984292e-16 ], [ -3.0931533490822443e-16, 5.05150277, 3.0931533490822443e-16 ], [ 0, 0, 5.05150277 ] ]
[ 67, 67, 48, 46 ]
[ 1, 1, 1 ]
alex<agm001219207>
P4/mmm
Cd-Ho-Pd
0.063114
null
null
0.000045
3,681.598437
58.360661
[ [ 1.9539485194869965, 1.2381268673185724, 2.6629689376906054 ], [ -1.9702831604982255e-8, 3.853088734542172, 4.749168900696746 ], [ -1.325320824388253e-10, 3.1262222470840157, 0.7678423713508506 ], [ 0, 0, 0 ], [ 1.9539484999166965, 1.964993354...
[ [ 3.907897, 0, 2.392896776223772e-16 ], [ -1.9539485002158357, 5.091215601860744, -0.4399461216126488 ], [ 0, 0, 7.85208396 ] ]
[ 67, 67, 48, 48, 48, 46, 46 ]
[ 1, 1, 1 ]
alex<agm003312376>
C2/m
Cd-Ho-Pd
0.035214
null
null
0
3,595.374401
65.412659
[ [ 1.741237675, 1.741237675, 2.193323016338146 ], [ 1.741237675, 1.741237675, 5.699859785194923 ], [ 1.741237675, 1.741237675, 9.24934552 ], [ 1.741237675, 1.741237675, 12.798831254805078 ], [ 1.741237675, 1.741237675, 16.305368023661856 ]...
[ [ 3.48247535, 0, 2.1324011452435293e-16 ], [ -2.1324011452435293e-16, 3.48247535, 2.1324011452435293e-16 ], [ 0, 0, 18.49869104 ] ]
[ 67, 67, 67, 67, 67, 48, 46, 46, 46, 46 ]
[ 1, 1, 1 ]
alex<agm003641602>
P4/mmm
Cd-Ho-Pd
0.029882
null
null
0.000342
4,482.1335
62.065552
[ [ 0, 0, 0 ], [ 0, 0, -3.777407015 ], [ -2.60925643, 1.5064549022452622, -5.6661105225 ], [ -2.60925643, -1.5064549022452625, -1.8887035075000012 ], [ -2.60925643, 1.5064549022452622, -1.888703507500001 ], [ -2.60925643, -1.50645...
[ [ -2.6092564300000003, -4.519364706735786, -6.390835070308299e-16 ], [ -2.6092564299999994, 4.519364706735786, 3.1954175351541495e-16 ], [ 0, 0, -7.55481403 ] ]
[ 63, 63, 80, 80, 82, 82 ]
[ 1, 1, 1 ]
alex<agm002209544>
P6_3/mmc
Eu-Hg-Pb
0.04916
null
null
0.079525
2,618.788611
35.050697
[ [ 1.1736608049999997, 2.4048271938016113, 1.386791142505467 ], [ 3.5209824149999998, 2.8571360857805943, 5.7022666473325305 ], [ 1.173660805, 0.48002859881802534, 7.461816242582338 ], [ 3.5209824149999993, 4.78193468076418, -0.3727584527443404 ], [ ...
[ [ 4.69464322, 0, 2.8746398962559115e-16 ], [ -3.2220232437856286e-16, 5.261963279582205, -1.6282221401620023 ], [ 0, 0, 8.71727993 ] ]
[ 67, 67, 48, 48, 48, 48, 46, 46, 46, 46 ]
[ 1, 1, 1 ]
alex<agm003387908>
P2_1/m
Cd-Ho-Pd
0.059328
null
null
0.000029
4,159.151235
71.123383
[ [ 1.7893851249999995, 5.867769631985203, 5.028285137035474 ], [ 1.789385125, 1.276805194447225, 8.299475886437486 ], [ 1.789385125, 1.764811520035043, 4.246017399002337 ], [ 1.7893851249999995, 6.355775957573021, 0.9748266496003252 ], [ -2.56467180...
[ [ 3.57877025, 0, 2.1913647657731364e-16 ], [ -4.673608038527006e-16, 7.632581152020246, -0.5047929139621888 ], [ 0, 0, 9.77909545 ] ]
[ 67, 67, 67, 67, 48, 48, 48, 48, 48, 46, 46 ]
[ 1, 1, 1 ]
alex<agm003366862>
P2/m
Cd-Ho-Pd
0.036783
null
null
0.000309
3,121.759826
51.430882
[ [ -2.000913685575054, 0, -7.007335444558833 ], [ -0.5938705828858212, -4.001685969021721, -2.0797749870771565 ], [ 1.06598417488273, -2.179979075906802, -3.8455387022765573 ], [ 1.8527476184076457, -2.8495543468627447, -1.0902396071109088 ], [ -1.2...
[ [ 4.001827371150108, 0, -1.1427041308823356 ], [ 0.47211359199690883, -6.181665044928523, 1.6533738206462867 ], [ -4.001827371150108, 0, -6.435983379117665 ] ]
[ 67, 48, 48, 46, 46, 46, 46, 46, 46, 46, 46 ]
[ 1, 1, 1 ]
alex<agm003518826>
C2/m
Cd-Ho-Pd
0.02545
null
null
-0.000468
6,135.168002
124.814507
[ [ 1.6813843962325803, 5.576491428190341, 2.9264546695148126 ], [ 7.494201943146503, 2.704619659080365, 12.584202258751583 ], [ 2.442883062322536, 1.1284082119736594, 2.6951390052276287 ], [ 6.7327032770565465, 7.152702875297046, 12.815517923038767 ], [...
[ [ 7.052994540945781, 0, 2.338446735396022 ], [ 2.122591798433302, 8.281111087270705, 2.077570922870374 ], [ 0, 0, 11.09463927 ] ]
[ 81, 81, 83, 83, 83, 83, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17 ]
[ 1, 1, 1 ]
mp-1189438
P-1
Bi-Cl-Tl
0.005585
3.2897
null
null
4,834.508614
6.191722
[ [ 4.102479670529103, 3.5789913114840557, 2.5180788779802565 ], [ 4.102479670450798, 3.049318855642247, 6.97591591174104 ], [ 0, 0, 5.006355795 ], [ 7.493263976446596e-10, 5.068637425607211, 0.08854572625543997 ], [ 6.710217538008103e-10, 4.5389...
[ [ 8.20495934, 0, 5.02408859643259e-16 ], [ -4.102479668799875, 8.117956281249457, -2.948249952003521 ], [ 0, 0, 10.01271159 ] ]
[ 81, 81, 81, 81, 81, 83, 83, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17 ]
[ 1, 1, 1 ]
alex<agm003371393>
C2/m
Bi-Cl-Tl
0.058232
null
null
0.001398
5,247.577471
11.579621
[ [ 2.818959229415687, 2.4285308255417783, 8.286078500628088 ], [ 2.8189592294156864, 6.11041824461338, -0.0011690676733819246 ], [ 0.955698874743689, 2.6889565614843405, 2.6769741474648874 ], [ 0.9556988747436888, 5.849992508670819, 5.607935285489819 ], ...
[ [ 3.71401858, 0, 2.274180482985399e-16 ], [ -5.228598323423892e-16, 8.538949070155159, -2.5890054070452937 ], [ 0, 0, 10.87391484 ] ]
[ 81, 81, 83, 83, 17, 17, 17, 17, 17, 17 ]
[ 1, 1, 1 ]
alex<agm003720611>
P2/m
Bi-Cl-Tl
0.07858
null
null
-0
5,275.721745
8.878427
[ [ 2.6766727529774825, 0, 0.0024067491670091193 ], [ 0.0030803297214829135, 2.171482291868222, 4.696655777492027 ], [ 0.0073397818689532246, 5.174188413484027, -0.04050572734165802 ], [ 5.350893765767287, 2.374871719886055, -0.6760926913997504 ], [ ...
[ [ 5.353345505954965, 0, 0.004813498334018239 ], [ 0.010420111590436138, 7.345670705352249, -3.4663029598496298 ], [ 0, 0, 8.12245301 ] ]
[ 81, 83, 83, 17, 17, 17, 17, 17, 17, 17, 17 ]
[ 1, 1, 1 ]
alex<agm003536114>
Cmmm
Bi-Cl-Tl
0.091925
null
null
0.000071
4,704.020208
12.559816
[ [ 0.5863061224979077, 4.858161859125284, 0.9905355432982252 ], [ 2.8860937481447158, 2.3351788797241824, 4.559360527825678 ], [ 1.9866451280718918, 0.47190257448851985, 0.6023700947260128 ], [ 1.4857547425707314, 6.721438164360946, 4.947525976397889 ], ...
[ [ 7.035385284312339, 0, -1.599187021051795 ], [ -3.5629854136697157, 7.193340738849466, -2.5773272578243027 ], [ 0, 0, 9.72641035 ] ]
[ 81, 81, 83, 83, 17, 17, 17, 17, 17, 17, 17, 17 ]
[ 1, 1, 1 ]
alex<agm003737034>
C2/c
Bi-Cl-Tl
0
null
null
0
5,034.607693
7.581394