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 ], [ 2.6977076266528144, -1.1906187592919673, 1.8922358203320464 ], [ 1.070998234081616, 1.190618759291968, 3.2975171220777795 ], [ 2.727141008619639, 0.9369196550874015, 1.9828588274098264 ], [ 1.0415648521147904, -0.9369196550874008...
[ [ 0.3975535477247317, -3.747678620349605, 1.224035287590174 ], [ 3.7687058607344297, 0, -1.224035287590174 ], [ -0.3975535477247317, 3.747678620349605, 5.189752942409825 ] ]
[ 56, 5, 5, 77, 77 ]
[ 1, 1, 1 ]
mp-12073
I4/mmm
B-Ba-Ir
0
0
null
0
7,098.944023
122.242935
[ [ 1.972150175, 0, 2.118778980753377 ], [ -1.2075936996258211e-16, 1.972150175, 7.724488979246623 ], [ 1.972150175, 0, 5.776169511765712 ], [ -1.2075936996258211e-16, 1.972150175, 4.0670984482342885 ], [ 1.9721501749999997, 1.972150175, 4.92...
[ [ 3.94430035, 0, 2.4151873992516423e-16 ], [ -2.4151873992516423e-16, 3.94430035, 2.4151873992516423e-16 ], [ 0, 0, 9.84326796 ] ]
[ 56, 56, 5, 5, 77, 77 ]
[ 1, 1, 1 ]
alex<agm001024374>
P4/nmm
B-Ba-Ir
0.015027
null
null
0.000079
6,130.801075
95.212814
[ [ -5.818918359372851, 0, -1.0571790742616032 ], [ -4.342210894725015, 0, 2.3414808886899867 ], [ -6.976667604371053, -1.7646294527353332, 1.2621246037197602 ], [ -5.724743963884988, -3.5292589054706665, -1.2459428360703766 ], [ -3.1843699120873366,...
[ [ -5.080564627048933, 0, -2.536240092785808 ], [ -2.5402823141581736, -5.293888358205999, -1.2681200467789993 ], [ -5.080564627048933, 0, 3.8205419072141917 ] ]
[ 56, 56, 5, 5, 5, 5, 77, 77, 77, 77, 77 ]
[ 1, 1, 1 ]
alex<agm002199891>
Fmmm
B-Ba-Ir
0.012618
null
null
-0.000047
7,399.680606
158.384445
[ [ 0, 0, 0 ], [ 2.97207372, 1.6857444147947667, 2.919794975 ], [ 2.97207372, -1.6857444147947669, 2.919794975 ], [ 1.48603686, -2.5286166221921498, 1.4598974874999995 ], [ 1.4860368599999998, -1.633563704093011e-16, 2.919794975 ], [ ...
[ [ 2.97207372, 0, 1.8198702840139834e-16 ], [ -3.0966622526384084e-16, 5.0572332443842996, 2.9197949750000007 ], [ 3.0966622526384084e-16, -5.0572332443842996, 2.919794974999999 ] ]
[ 56, 5, 5, 77, 77, 77 ]
[ 1, 1, 1 ]
alex<agm002199307>
P6/mmm
B-Ba-Ir
0.082987
null
null
0
7,621.83279
191.126038
[ [ -2.8741005850000003, -1.6593627464278107, -6.248769414310001 ], [ -2.874100585, 1.6593627464278111, -1.9924455856899994 ], [ 0, 0, 0 ], [ 0, 0, -4.1206075 ], [ -2.8741005850000003, -1.6593627464278107, -2.2765779552450005 ], [ -2....
[ [ -2.8741005850000003, -4.978088239283433, -7.03951616369557e-16 ], [ -2.8741005849999994, 4.978088239283433, 3.519758081847785e-16 ], [ 0, 0, -8.241215 ] ]
[ 37, 37, 37, 66, 15, 15, 8, 8, 8, 8, 8, 8, 8, 8 ]
[ 1, 1, 1 ]
mp-1209375
P-3m1
Dy-O-P-Rb
0
4.6697
null
0.000067
3,978.181476
50.430676
[ [ 0, 0, -4.306164 ], [ 0, 0, 0 ], [ -0.022212811472508105, 4.085487498042596, -6.459245999999999 ], [ 3.6530006022118684, 1.829559538767621, -2.1530819999999995 ], [ 3.6784503767866874, 1.8139378995434052, -6.459245999999999 ], [ -0...
[ [ -3.002814089260639, 5.915047036810217, 4.061909654579932e-16 ], [ 6.63360188, 0, 4.061909654579932e-16 ], [ 0, 0, -8.612328 ] ]
[ 37, 37, 20, 20, 72, 72, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9 ]
[ 1, 1, 1 ]
mp-1209253
Cmcm
Ca-F-Hf-Rb
0
6.5402
null
0.000007
2,829.316634
49.453804
[ [ -2.8768246200000003, -1.6609354687683433, -6.254195132365336 ], [ -2.87682462, 1.660935468768343, -2.009799427634665 ], [ 0, 0, 0 ], [ 0, 0, -4.13199728 ], [ -2.8768246200000003, -1.6609354687683433, -2.2782268627749795 ], [ -2.87...
[ [ -2.8768246200000003, -4.982806406305029, -7.046188125182601e-16 ], [ -2.8768246199999994, 4.982806406305029, 3.5230940625913004e-16 ], [ 0, 0, -8.26399456 ] ]
[ 37, 37, 37, 39, 15, 15, 8, 8, 8, 8, 8, 8, 8, 8 ]
[ 1, 1, 1 ]
mp-1209357
P-3m1
O-P-Rb-Y
0
4.7344
null
null
4,015.876049
57.553879
[ [ 1.587430004166202, -5.8007653845359295, -1.8156800744742783 ], [ -5.990692704633685, -0.5295412950905074, -6.0080933794742775 ], [ -3.7372030295486804, -2.0970336038163677, -1.8156800744742783 ], [ -0.6660596709188025, -4.233273075810068, -6.008093379474...
[ [ 2.3487197625750253, -6.330306679626437, 0.2805265780257216 ], [ -6.751982463042508, 0, 0.2805265780257216 ], [ 0, 0, -8.38482661 ] ]
[ 37, 37, 39, 39, 15, 15, 15, 15, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]
[ 1, 1, 1 ]
alex<agm004944494>
C2/c
O-P-Rb-Y
0.072589
null
null
0
3,333.836875
43.04287
[ [ 1.2482659592942105, 4.27728102934828, 0.014818429232429046 ], [ -1.2391121067984564e-8, 0.2161327064146878, 4.728671239291803 ], [ 1.2482659455229685, 1.234789555378015, 2.8141985916522367 ], [ 1.164453023569546e-9, 2.7494081586478885, 4.389926303915016 ...
[ [ 2.49653189, 0, 1.528684894028896e-16 ], [ -1.2482659430969107, 4.493413735762967, -1.1713995514757685 ], [ 0, 0, 5.91488922 ] ]
[ 24, 24, 28, 28, 28, 28 ]
[ 1, 1, 1 ]
alex<agm003202019>
C2/m
Cr-Ni
0.047873
null
null
0.001708
2,298.131689
213.892563
[ [ -4.224162144857639e-16, 3.608783280699154, -1.0508918291129985e-16 ], [ 5.551115123125783e-16, 10.826349842097457, 7.771561172376096e-16 ], [ 4.440892098500626e-16, 7.217566561398305, 1.1695542201373146e-16 ], [ 0, 0, 0 ], [ 1.743896791578895, ...
[ [ 1.7011967530766712, 4.811711040932203, 2.9465592100000007 ], [ 1.7011967530766712, 4.811711040932203, -2.9465592099999998 ], [ -3.402393506153342, 4.811711040932203, 0 ] ]
[ 56, 56, 21, 41, 8, 8, 8, 8, 8, 8 ]
[ 1, 1, 1 ]
mp-1206644
Fm-3m
Ba-Nb-O-Sc
0
2.5719
null
-0
3,342.257086
136.704453
[ [ -2.944652915, -1.7000961531452672, -4.79508192186673 ], [ 0, 0, 0 ], [ -2.944652915, 1.7000961531452663, -2.4147488081332704 ], [ 0, 0, -3.604915365 ], [ -2.944652915, -1.7000961531452672, -1.2252002779567168 ], [ -2.944652915, ...
[ [ -2.9446529150000003, -5.100288459435799, -7.212319533909346e-16 ], [ -2.9446529149999994, 5.100288459435799, 3.606159766954673e-16 ], [ 0, 0, -7.20983073 ] ]
[ 56, 56, 56, 21, 41, 41, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]
[ 1, 1, 1 ]
alex<agm004673476>
P-3m1
Ba-Nb-O-Sc
0.005317
null
null
0.001027
3,631.430941
144.187912
[ [ 5.098967633218545, 2.9438903356279162, -3.6055145892007134 ], [ -1.6996558781163025, -2.943890335627916, -1.2018381971995244 ], [ 3.399311755102243, -1.0464082806336237e-33, -1.2018381964002378 ], [ 0, 0, -3.60551459 ], [ 0, 0, 0 ], [...
[ [ -3.3993117562326045, -5.8877806712558325, -2.4036763943990485 ], [ -3.3993117539718813, 5.8877806712558325, -2.4036763928004756 ], [ 6.798623510204486, 0, -2.4036763928004756 ] ]
[ 56, 56, 56, 56, 21, 41, 41, 41, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]
[ 1, 1, 1 ]
alex<agm004703970>
Im-3m
Ba-Nb-O-Sc
0.01141
null
null
0.002712
3,769.507852
153.608902
[ [ -2.952817345, -1.7048098890035464, -4.868109599850111 ], [ 0, 0, 0 ], [ -2.9528173450000006, 1.7048098890035461, -2.390399080149889 ], [ -2.952817345, -1.7048098890035464, -1.1957437830557707 ], [ -2.9528173450000006, 1.7048098890035461, ...
[ [ -2.9528173450000006, -5.114429667010639, -7.2323166200420715e-16 ], [ -2.9528173449999997, 5.114429667010639, 3.6161583100210357e-16 ], [ 0, 0, -7.25850868 ] ]
[ 56, 56, 56, 21, 21, 41, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]
[ 1, 1, 1 ]
alex<agm004673475>
P-3m1
Ba-Nb-O-Sc
0.006432
null
null
0.004534
3,034.314771
131.777222
[ [ 3.7551910902595104e-16, 4.8977304601278915, -8.878387497412984e-16 ], [ 8.881784197001252e-16, 14.693191380383666, 1.1103362479447654e-15 ], [ 0, 0, 0 ], [ 8.881784197001252e-16, 9.79546092025578, 2.2644663921791085e-19 ], [ 2.1483405917749505, ...
[ [ 2.3088122805202267, 6.530307280170518, 3.9989801750000007 ], [ 2.3088122805202267, 6.530307280170518, -3.998980174999999 ], [ -4.6176245610404525, 6.530307280170518, 0 ] ]
[ 55, 55, 19, 67, 17, 17, 17, 17, 17, 17 ]
[ 1, 1, 1 ]
mp-1207104
Fm-3m
Cl-Cs-Ho-K
0.0101
5.2294
null
-0.000001
3,965.576644
8.932631
[ [ 3.875750596683255, 3.6788124149581454, 8.475523077044548 ], [ 7.837155644037618, 0.3544526950418552, 2.8352735973699357 ], [ 4.04705949802547, 4.387717805041856, 2.8275294436062275 ], [ 0.08565445067110693, 7.712077524958145, 8.467778923280841 ], [ ...
[ [ 7.922810094708725, 0, 0.011276780650775049 ], [ -4.939325207074198e-16, 8.06653022, 4.939325207074198e-16 ], [ 0, 0, 11.29177574 ] ]
[ 55, 55, 55, 55, 19, 19, 67, 67, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17 ]
[ 1, 1, 1 ]
alex<agm004933524>
P2_1/c
Cl-Cs-Ho-K
0
null
null
-0
3,965.576644
10.348288
[ [ -7.573222961774672, -5.225749202304475, -10.789839097465883 ], [ -4.9436235234764085, -3.411247340095033, -7.388484202003732 ], [ -0.1176303143883095, -0.08116841728867964, -8.06410068902549 ], [ -3.0431308157963763, -2.0998508182610713, -2.6337530612327...
[ [ -2.454595652355842, -6.466412739063931, -3.72619883957953 ], [ -6.916612865304266, 0, -3.72619883957953 ], [ 0, 0, -8.28244734 ] ]
[ 55, 19, 19, 67, 17, 17, 17, 17, 17, 17 ]
[ 1, 1, 1 ]
alex<agm004963666>
R3
Cl-Cs-Ho-K
0.023352
null
null
0.000008
3,721.117349
11.445657
[ [ 1.571828, 1.5262899422629341, 2.1419412677322627 ], [ 1.5718279999999998, 3.9152229183129656, 8.19987318144262 ], [ -1.6659828268058584e-16, 2.72075643028795, -0.2357436754125592 ], [ 1.571828, 0, 5.4066509 ], [ 0, 0, 0 ], [ -6.86...
[ [ 3.143656, 0, 1.924934129010186e-16 ], [ -3.331965653611717e-16, 5.4415128605759, -0.4714873508251184 ], [ 0, 0, 10.8133018 ] ]
[ 28, 28, 28, 28, 28, 5, 5, 51, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]
[ 1, 1, 1 ]
mp-1209850
P2/m
B-Ni-O-Sb
0.075074
0
null
0.05388
1,637.659317
137.744308
[ [ -1.7608379393918763, -1.2510065336435467, -3.012028827511242 ], [ -5.14081920807639, -3.652351118584421, -8.793708555085576 ], [ 0, 0, 0 ], [ -3.450828573734134, -2.451678826113984, -5.90286869129841 ], [ -5.428217395324941, -3.25799598062443...
[ [ -1.7090065915684283, -4.903357652227968, -2.9233679062984104 ], [ -5.1926505558998395, 0, -2.9233679062984104 ], [ 0, 0, -5.95900157 ] ]
[ 38, 38, 69, 83, 8, 8, 8, 8, 8, 8 ]
[ 1, 1, 1 ]
alex<agm002299807>
R-3
Bi-O-Sr-Tm
0.014805
null
null
0.000003
3,622.110441
102.796799
[ [ 1.227516202409977, 4.465597639060286, 4.7494495437893995 ], [ 1.2275162041314718, 1.4974762291698205, 1.5638365274491615 ], [ -1.7292819141460843e-9, 2.9815480173571873, 3.170079019054965 ], [ 1.02389139557495e-8, 3.5108049123212064, 0.7297904472530058 ...
[ [ 2.45503241, 0, 1.5032737913547562e-16 ], [ -1.2275162076025186, 4.487142564340115, -1.201980743053151 ], [ 0, 0, 5.95695601 ] ]
[ 24, 24, 28, 28, 28, 28 ]
[ 1, 1, 1 ]
alex<agm003202025>
Cm
Cr-Ni
0.084929
null
null
0.000305
2,298.131689
224.147171
[ [ 0.1017061691267839, 3.3155044580549995, 5.935934532351888 ], [ 5.4526692951724955, 2.5441925419449998, 1.9975474274863514 ], [ 2.6754815630228554, 0.38565595805499997, 5.951581177567231 ], [ 2.878893901276423, 5.474041041945, 1.9819007822710077 ], [ ...
[ [ 5.554375464299279, 0, 0.01270722983823916 ], [ -3.588029587511674e-16, 5.859697, 3.588029587511674e-16 ], [ 0, 0, 7.92077473 ] ]
[ 59, 59, 59, 59, 30, 30, 78, 78, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]
[ 1, 1, 1 ]
mp-1209351
P2_1/c
O-Pr-Pt-Zn
0
1.6651
null
-0.000002
4,419.781227
142.768951
[ [ -2.8186749191307072e-8, 2.036283118343214, 2.757487975800108 ], [ 2.7703202022188, 2.039882127685543, 0.10979603194045612 ], [ 2.770320175, 0, 2.848823135 ], [ 0, 0, 0 ], [ 4.166657257639426, 0.5163702845946738, 1.4185109745978426 ], ...
[ [ 5.54064035, 0, 3.392663734927086e-16 ], [ -2.77032017596795, 4.076165246028757, -2.8303622622594355 ], [ 0, 0, 5.69764627 ] ]
[ 59, 59, 30, 78, 8, 8, 8, 8, 8, 8 ]
[ 1, 1, 1 ]
alex<agm005507072>
C2/m
O-Pr-Pt-Zn
0.026927
null
null
-0.000008
4,419.781227
141.387772
[ [ 1.7656628111262933, 1.8287064142210474, 9.42866910437019 ], [ 1.1222658767287386, 1.1623367691173832, 5.992918654752319 ], [ 2.537397945428647, -1.162336769117383, 3.4357504496178706 ], [ 0.34444903252013953, 0.3567477046990704, 1.8393636262187454 ], ...
[ [ 0.12833819990479903, -3.657412828442095, 0.6853281456298104 ], [ 3.659663822157386, 0, -0.6853281456298104 ], [ -0.12833819990479903, 3.657412828442095, 9.42866910437019 ] ]
[ 38, 67, 67, 13, 13, 8, 8, 8, 8, 8, 8, 8 ]
[ 1, 1, 1 ]
mp-1208627
I4/mmm
Al-Ho-O-Sr
0.047277
4.0538
null
-0.000001
2,391.660009
170.201447
[ [ 0, 0, -4.331131 ], [ 0, 0, 0 ], [ -0.013967441280683841, 4.112994297214157, -6.4966965 ], [ 3.6773165345709797, 1.8423518347218575, -2.1655654999999996 ], [ 3.6984605927208336, 1.829345358769709, -6.4966965 ], [ -0.035111499430537...
[ [ -3.0089981067097047, 5.955346131936015, 4.085634320639902e-16 ], [ 6.6723472, 0, 4.085634320639902e-16 ], [ 0, 0, -8.662262 ] ]
[ 37, 37, 20, 20, 40, 40, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9 ]
[ 1, 1, 1 ]
mp-1209261
Cmcm
Ca-F-Rb-Zr
0
5.8562
null
0.000004
2,886.531936
49.518539
[ [ 0, 0, 0 ], [ 0, 0, -4.371575 ], [ -2.5268757350000004, -1.4588923858109841, -1.8401445510499999 ], [ -2.526875735, 1.4588923858109837, -6.90300544895 ], [ -1.5928742376991551, -0.4131364402758835, -1.3197610061999998 ], [ -2.08822...
[ [ -2.5268757350000004, -4.376677157432951, -6.189060561421731e-16 ], [ -2.5268757349999995, 4.376677157432951, 3.0945302807108656e-16 ], [ 0, 0, -8.74315 ] ]
[ 21, 81, 16, 16, 8, 8, 8, 8, 8, 8, 8, 8 ]
[ 1, 1, 1 ]
mp-1208994
P321
O-S-Sc-Tl
0.018425
4.2982
null
0.00004
3,757.767577
37.562351
[ [ -1.1102230246251565e-16, 3.59629600244452, 5.480464293494691e-16 ], [ 4.440892098500626e-16, 10.788888007333561, 6.661338147750939e-16 ], [ 5.984790871005478e-16, 7.19259200488904, 4.440892098500626e-16 ], [ 0, 0, 0 ], [ 0.914081215522178, 5....
[ [ 1.695310193655062, 4.795061336592694, 2.9363633900000004 ], [ 1.695310193655062, 4.795061336592694, -2.9363633899999995 ], [ -3.3906203873101237, 4.795061336592694, 0 ] ]
[ 56, 56, 3, 53, 8, 8, 8, 8, 8, 8 ]
[ 1, 1, 1 ]
mp-1207120
Fm-3m
Ba-I-Li-O
0
2.0756
null
null
2,612.501181
96.322487
[ [ -3.4425876129418906, -2.2297929941021395, -5.469621032705083 ], [ -2.1713500325825597, -1.406401705564311, -1.680321192174895 ], [ -4.713825193301221, -3.053184282639968, -9.258920873235272 ], [ 0, 0, 0 ], [ -1.8479849939675579, -0.2625405988...
[ [ -1.9983319089314582, -4.459585988204279, -2.0857055727050837 ], [ -4.886843316952323, 0, -2.0857055727050837 ], [ 0, 0, -6.76783092 ] ]
[ 56, 3, 3, 53, 8, 8, 8, 8, 8, 8 ]
[ 1, 1, 1 ]
alex<agm004987168>
R-3
Ba-I-Li-O
0.05202
null
null
0.00678
2,756.666527
67.797646
[ [ 1.4840715087491785, 1.144323670928007, 2.598552011870304 ], [ 4.099233474855362, 3.6725629534821835, 9.549303720285614 ], [ 4.791702982534899, 3.8900357508010552, 6.109041010161808 ], [ 0.791602001069642, 0.9268508736091357, 6.038814721994111 ], [ ...
[ [ 3.8579314978998243, 0, 0.7765395111495729 ], [ 1.725373485704716, 4.81688662441019, 1.3997379410063466 ], [ 0, 0, 9.97157828 ] ]
[ 65, 65, 22, 22, 17, 17, 8, 8, 8, 8, 8, 8 ]
[ 1, 1, 1 ]
mp-1208319
C2/m
Cl-O-Tb-Ti
0.073169
3.156
null
0.000016
2,227.213611
99.821297
[ [ 5.791948481645041, 2.742227306316, 2.126188189010513 ], [ 0.06486420045424944, 3.2664086936839998, 6.2539915586998625 ], [ 2.993270541503894, 5.746545306316, 2.0766745625550502 ], [ 2.8635421405953956, 0.262090693684, 6.303505185155325 ], [ 0, ...
[ [ 5.8568126820992905, 0, 0.012772877710375382 ], [ -3.679228422320778e-16, 6.008636, 3.679228422320778e-16 ], [ 0, 0, 8.36740687 ] ]
[ 38, 38, 38, 38, 64, 64, 73, 73, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]
[ 1, 1, 1 ]
mp-1209102
P2_1/c
Gd-O-Sr-Ta
0
3.557
null
0.047545
3,166.449751
122.770546
[ [ -1.1102230246251565e-16, 3.671305508216621, 8.876473767127634e-16 ], [ 6.661338147750939e-16, 11.013916524649867, 9.9893520066896e-16 ], [ 0, 0, 0 ], [ 0, 7.342611016433244, 1.1096919816377947e-15 ], [ -0.814586604688544, 8.494610440511234, ...
[ [ 1.7306700137783322, 4.895074010955496, 2.9976083950000003 ], [ 1.7306700137783322, 4.895074010955496, -2.9976083949999994 ], [ -3.4613400275566635, 4.895074010955496, 0 ] ]
[ 38, 38, 64, 73, 8, 8, 8, 8, 8, 8 ]
[ 1, 1, 1 ]
alex<agm002230345>
Fm-3m
Gd-O-Sr-Ta
0.076249
null
null
0.045941
3,166.449751
118.960884
[ [ 1.689712510543319, -1.210162743571268, 2.978030925 ], [ 3.423136222316677, 1.2101627435712685, 0.07703873117935855 ], [ 0, 0, 0 ], [ 3.3794250210866377, -2.420325487142536, 1.6306418245098018e-16 ], [ 4.63025464341535, -1.6114969528894059, ...
[ [ 1.6460013093132801, -4.840650974285073, 2.9009921938206413 ], [ 5.112848732859995, 0, -2.9009921938206413 ], [ -1.6460013093132801, 4.840650974285073, 3.055069656179359 ] ]
[ 38, 38, 64, 73, 8, 8, 8, 8, 8, 8 ]
[ 1, 1, 1 ]
alex<agm002301849>
I4/m
Gd-O-Sr-Ta
0.018316
null
null
0.047487
3,166.449751
120.347198
[ [ 0, 0, 0 ], [ 1.5238446318343193, 2.6071196121446034, -2.554643270749492 ], [ 2.9787056455205505, 0.4964753884856145, -4.993639229261139 ], [ 6.2912727264931005, -0.7432236054157194, 0.18914581284336557 ], [ 2.735100093418939, -2.7161312760971...
[ [ 2.363251139170071, 6.207190001260436, 3.5864195294121854 ], [ 4.278598276369597, -6.207190001260436, 0.3754434411543685 ], [ 0, 0, -7.5482825 ] ]
[ 38, 81, 81, 15, 15, 15, 15, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]
[ 1, 1, 1 ]
mp-1208595
I-4
O-P-Sr-Tl
0
4.4536
null
null
4,490.728539
33.766022
[ [ 0, 0, -3.9388986 ], [ -2.9601010300000006, -1.7090151264989895, -5.730180329849976 ], [ -2.96010103, 1.7090151264989888, -2.147616870150024 ], [ 0, 0, 0 ], [ -2.9601010300000006, -1.7090151264989895, -1.8299963764096565 ], [ -2.96...
[ [ -2.9601010300000006, -5.127045379496966, -7.250156503084567e-16 ], [ -2.9601010299999997, 5.127045379496966, 3.6250782515422837e-16 ], [ 0, 0, -7.8777972 ] ]
[ 38, 81, 81, 81, 15, 15, 8, 8, 8, 8, 8, 8, 8, 8 ]
[ 1, 1, 1 ]
alex<agm004668807>
P-3m1
O-P-Sr-Tl
0.090686
null
null
0.002869
5,196.136439
38.020008
[ [ 4.1326025625, 4.565593365082082, 2.3573330876610044 ], [ 1.3775341875, 1.475922752629575, 4.238883893931248 ], [ 4.1326025625, 4.553219554675913, 6.190267435697473 ], [ 1.3775341875, 1.4882965630357436, 0.4059495458947796 ], [ 4.1326025625, 1...
[ [ 5.51013675, 0, 3.3739856668758497e-16 ], [ -3.6993616877763617e-16, 6.041516117711656, -1.3187848484077476 ], [ 0, 0, 7.91500183 ] ]
[ 38, 38, 81, 81, 15, 15, 8, 8, 8, 8, 8, 8, 8, 8 ]
[ 1, 1, 1 ]
alex<agm005050733>
P2_1/m
O-P-Sr-Tl
0.033791
null
null
0.000087
4,603.186232
39.347794
[ [ 0.51312639207697, 3.0618265275, 2.7944638724703137 ], [ 1.8733933257290079, 1.0206088425, 3.4848675938446423 ], [ 2.115612929700951, 3.0618265275, 4.803985058124186 ], [ 1.3205857691349367, 3.0618265275, 0.4743019757457235 ], [ 1.065933948671041,...
[ [ 2.386519717805978, 0, -0.4382186836850445 ], [ -2.49977070429822e-16, 4.08243537, 2.49977070429822e-16 ], [ 0, 0, 6.71755015 ] ]
[ 24, 24, 28, 28, 28, 28 ]
[ 1, 1, 1 ]
alex<agm003202016>
Cmcm
Cr-Ni
0.091419
null
null
-0.004223
2,298.131689
219.011536
[ [ 6.332382397821254, 1.1963774155381677, 8.017048286274502 ], [ 4.226858814508879, 5.88664018179562, 6.649423802275107 ], [ 3.74538978141677, 2.0916647484460245, 5.207370623406584 ], [ 6.813851430913364, 4.991352848887763, 9.459101465143025 ], [ 4....
[ [ 7.669745763593227, 0, 2.164828685523353 ], [ 2.8894954487369064, 7.083017597333788, 3.0812908430262564 ], [ 0, 0, 9.42035256 ] ]
[ 81, 81, 29, 29, 33, 33, 33, 33, 82, 82, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16 ]
[ 1, 1, 1 ]
mp-1208124
P-1
As-Cu-Pb-S-Tl
0.007935
1.3528
null
null
3,255.413713
20.665634
[ [ 0, 0, 0 ], [ 1.5408099111746225, 2.4730166585839712, -5.564507064118377 ], [ 0, 0, -4.49098218 ], [ 2.6113713710856192, 0, -5.233912546950157 ], [ -0.10047445696779815, 2.6963179450724772, -2.91482315745911 ], [ 0.1004744569677976...
[ [ -2.1411229198219934, 4.9460333171679425, -0.6611890343364382 ], [ 5.2227427421712385, 0, -1.4858607339003158 ], [ -3.081619822349245, -4.9460333171679425, -6.834914591763245 ] ]
[ 81, 29, 29, 1, 34, 34, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]
[ 1, 1, 1 ]
mp-1208134
C2/m
Cu-H-O-Se-Tl
0.04314
0.5278
null
null
2,924.554578
27.960213
[ [ 1.9191677599999997, 1.91916776, 2.4272911130042716 ], [ 1.9191677599999997, 1.91916776, 9.77405977699573 ], [ 1.9191677599999997, 1.91916776, 6.100675445 ], [ 0, 0, 4.340142159041373 ], [ 0, 0, 7.8612087309586265 ], [ 0, 0, ...
[ [ 3.83833552, 0, 2.3503026543107955e-16 ], [ -2.3503026543107955e-16, 3.83833552, 2.3503026543107955e-16 ], [ 0, 0, 12.20135089 ] ]
[ 38, 38, 64, 29, 29, 80, 8, 8, 8, 8, 8, 8, 8 ]
[ 1, 1, 1 ]
mp-1209074
P4/mmm
Cu-Gd-Hg-O-Sr
0.081063
0
null
null
2,436.853622
104.266914
[ [ 0.7087793105528067, -6.1294289831296975, -4.814340473982009 ], [ -1.3894027609300372, -3.878375154425931, -5.853550536287098 ], [ -0.6257878944460755, -3.798534779588159, -2.6364429145439994 ], [ 1.455219925481889, -6.146664500958176, -1.6695879332932282...
[ [ 3.5055271875725307, 0, -0.8320743313038937 ], [ 0.46020505792914596, -7.1045003414994765, 1.938842819368037 ], [ -3.5055271875725307, 0, -6.968351698696106 ] ]
[ 23, 23, 23, 23, 29, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]
[ 1, 1, 1 ]
mp-1207908
Cm
Cu-O-V
0.040628
0.3697
null
0.005154
1,976.335276
52.327068
[ [ 1.485773792112215, 2.573435695922144, -5.253003616200862 ], [ 0, 0, -3.15180217 ], [ -2.971547583236311, 0, -5.253003616899568 ], [ -4.457321375348525, -2.5734356959221443, -3.151802170698705 ], [ 2.9715475832363105, 0, -4.202402893100432...
[ [ -2.971547584224429, -5.146871391844288, -2.1012014475982737 ], [ -2.971547582248192, 5.146871391844288, -2.101201446200863 ], [ 5.943095166472621, 0, -2.101201446200863 ] ]
[ 23, 23, 23, 23, 29, 29, 29, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]
[ 1, 1, 1 ]
mp-1367462
Im-3
Cu-O-V
0.071941
0
null
null
1,832.816618
165.553314
[ [ -5.858925366436466e-10, 1.8381768658303317, 0.5608858134974608 ], [ 1.7868839991550711, 2.6508747748611103, 4.7202317606934185 ], [ 0, 0, 3.331086185 ], [ -1.2535709262361472e-10, 0.3932947923442586, 1.4905092396365012 ], [ 1.786883998694536, ...
[ [ 3.573768, 0, 2.188301771047619e-16 ], [ -1.786884001430821, 4.489051640691442, -1.381054795809122 ], [ 0, 0, 6.66217237 ] ]
[ 23, 23, 29, 8, 8, 8, 8, 8, 8 ]
[ 1, 1, 1 ]
mp-540757
C2/m
Cu-O-V
0.028678
0.4397
null
0.009356
1,873.266331
63.281208
[ [ 6.689823215261041e-10, 2.073851248415581, 0.7428760932753219 ], [ 1.806435325831352, 2.577197616836786, 4.946859230770185 ], [ 0, 0, 3.379992655 ], [ -1.7868960371176835e-8, 0.6057196282740137, 1.6092601339600612 ], [ 1.8064353443692949, 4.04...
[ [ 3.61287065, 0, 2.2122452386279587e-16 ], [ -1.806435323499666, 4.651048865252367, -1.0702499859544938 ], [ 0, 0, 6.75998531 ] ]
[ 23, 23, 29, 8, 8, 8, 8, 8, 8 ]
[ 1, 1, 1 ]
alex<agm003266705>
C2/m
Cu-O-V
0.024106
null
null
0.008797
1,873.266331
49.999073
[ [ -1.1344147570479575, -2.1820008876747576, 1.4967501092299043 ], [ -3.2079973267036825, -1.1039524412868178, -1.2391407257700962 ], [ -0.0049466958582133755, -0.00951476934394383, 0.006526684812682062 ], [ -2.078529265513938, 1.0685336770439957, 2.7424175...
[ [ -2.2418947183808715, -4.31219378555176, -2.5138192988558297 ], [ 0, 0, 5.47178167 ], [ -3.026217780121014, 4.31219378555176, -1.4789811855720854 ] ]
[ 23, 23, 29, 29, 8, 8, 8, 8, 8, 8, 8, 8 ]
[ 1, 1, 1 ]
alex<agm002173975>
I4_1md
Cu-O-V
0.069815
null
null
0
1,683.719818
134.307983
[ [ 0.9336196727398414, 3.0302077425, 5.001901578506763 ], [ 1.4850526247165972, 1.0100692475, 1.2514349578561101 ], [ 0.12544182654149674, 3.0302077425, 0.6720592454361818 ], [ 0.6789247967841305, 1.0100692475, 3.637364388604726 ], [ 1.7397475006723...
[ [ 2.4186722974564385, 0, -0.4514523136371279 ], [ -2.473956141736101e-16, 4.04027699, 2.473956141736101e-16 ], [ 0, 0, 6.70478885 ] ]
[ 24, 24, 28, 28, 28, 28 ]
[ 1, 1, 1 ]
alex<agm003200958>
Cmcm
Cr-Ni
0.011894
null
null
0.008603
2,298.131689
219.20723
[ [ 0.42338255545189374, 2.947296551093517, 2.303058459175681 ], [ 1.8644117832737392, 0.004393346447599225, 3.080504656897643 ], [ -0.00021004705909378498, 3.703035282026989, 3.797213198774251 ], [ 0.743522455253786, 4.148654552868085, 6.9592175116798485 ...
[ [ 3.067871393131039, 0, 0.8707334625158517 ], [ -0.590607133450194, 4.436603330067382, 2.081077862108237 ], [ 0, 0, 5.78226964 ] ]
[ 23, 29, 8, 8, 8 ]
[ 1, 1, 1 ]
mp-2371810
Cm
Cu-O-V
0.073634
0.926
null
null
1,800.276578
38.490822
[ [ -3.9702853925146138, -2.681822328434912, -3.2339888747713235 ], [ -2.1640348091380015, -1.4617480349393581, -6.823263738266373 ], [ -5.273313152468855, -3.5619829707414215, -6.20644197189082 ], [ -0.8610070491837599, -0.5815873926328493, -3.8508106411468...
[ [ -1.6677242390002387, -4.143570363374271, -2.247749716518849 ], [ -4.466595962652376, 0, -2.247749716518849 ], [ 0, 0, -5.56175318 ] ]
[ 23, 23, 29, 29, 8, 8, 8, 8, 8, 8 ]
[ 1, 1, 1 ]
mp-504580
R-3
Cu-O-V
0.069055
0.3266
138.228238
0
1,800.276578
142.669357
[ [ 0.5225619125522876, 3.051325310357885, 2.1569512845656913 ], [ 1.9188439679165794, 0.20046086272429287, 3.0514758584739625 ], [ 0.2353318760918234, 4.361527453493034, 3.223655046461254 ], [ 0.9359556992373923, 3.6697140186313635, 6.18307969721478 ], ...
[ [ 3.1076984450940484, 0, 0.8520268091562812 ], [ -0.41364489310565666, 4.655384642923662, 1.8052538832510832 ], [ 0, 0, 5.53257466 ] ]
[ 23, 29, 8, 8, 8 ]
[ 1, 1, 1 ]
mp-562987
P1
Cu-O-V
0.081164
0.8024
null
-0.000014
1,800.276578
33.055721
[ [ 5.024000587070752, 2.0640430549256896, 2.906180809013528 ], [ 1.8249549103151035, 0.7307390498344526, 2.994564795527955 ], [ 2.906104254822396, 4.866736505938968, 8.073875662062528 ], [ 6.105149931578044, 6.200040511030204, 7.985491675548102 ], [ ...
[ [ 5.441139821950211, 0, 2.201473179739194 ], [ 2.488965019942937, 6.930779560864657, 1.297293761336862 ], [ 0, 0, 7.48128953 ] ]
[ 23, 23, 23, 23, 29, 29, 29, 29, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]
[ 1, 1, 1 ]
alex<agm002172686>
C2/c
Cu-O-V
0.046643
null
null
0.000035
1,800.276578
25.774387
[ [ 2.63165450842854, 4.1700293771805335, 6.794704090292205 ], [ 0.7610901712818826, 1.5829754731970849, 7.163649923792894 ], [ 0.9532857451241891, 3.0332889121404953, 4.048322108470373 ], [ 2.8014932700435096, 5.591115507786567, 3.742876276534046 ], [ ...
[ [ 3.6303484427826556, 0, 0.20384796846001504 ], [ -0.03670173544024846, 7.226254348360181, 1.5831894421291226 ], [ 0, 0, 9.02469929 ] ]
[ 23, 23, 23, 23, 29, 29, 29, 29, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]
[ 1, 1, 1 ]
alex<agm002172688>
P1
Cu-O-V
0.067782
null
null
0
1,800.276578
72.654312
[ [ 4.725153108046437, 3.3783321543886635, 2.7567739025588485 ], [ 2.5505178613514725, 1.6595322253929705, 5.876853107720783 ], [ 5.576371364279913, 4.175194790922665, 6.068305595216423 ], [ 1.6992996051179972, 0.8626695888589684, 2.5653214150632078 ], [...
[ [ 5.146482267193548, 0, 0.16436877734365118 ], [ 2.1291887022043623, 5.037864379781634, 1.8989574029359801 ], [ 0, 0, 6.57030083 ] ]
[ 23, 23, 29, 29, 29, 8, 8, 8, 8, 8, 8, 8, 8 ]
[ 1, 1, 1 ]
mp-504747
P-1
Cu-O-V
0.023315
0.1159
null
null
1,655.957131
38.850445
[ [ 0, 0, 0 ], [ 2.9221981698070154, 1.0233248658332337, 0.8878130248761944 ], [ 1.6621537387682148, 2.046649731666467, 3.669852229876194 ], [ 1.2600444310388004, -1.0233248658332337, 2.782039205 ], [ 2.6623188261535864, 0.4568081268084921, 2...
[ [ 0.8579351233093859, -4.093299463332934, 1.8942261801238054 ], [ 4.182242600845816, 0, -1.8942261801238054 ], [ -0.8579351233093859, 4.093299463332934, 3.669852229876194 ] ]
[ 23, 29, 29, 29, 8, 8, 8, 8 ]
[ 1, 1, 1 ]
mp-510657
I-42m
Cu-O-V
0.09102
0.1102
116.447589
-0.000042
1,607.309252
122.488129
[ [ 2.0050500949403155e-9, 4.521667619119452, 0.4198345783642067 ], [ 1.8758706205418147, 1.221868633281093, 4.524416582847659 ], [ 1.530141650556627e-9, 3.450682633049041, 3.606488749022406 ], [ 1.8758706210199594, 2.3001505731521257, 1.3230601568413434 ]...
[ [ 3.75174124, 0, 2.297278950397561e-16 ], [ -1.8758706174681536, 5.709666510659313, -1.6898462829858036 ], [ 0, 0, 6.71806738 ] ]
[ 23, 23, 23, 29, 8, 8, 8, 8, 8, 8, 8, 8 ]
[ 1, 1, 1 ]
mp-755381
Cm
Cu-O-V
0.062228
0
null
0.004158
1,971.508486
111.34481
[ [ 0.7675061225981661, -1.3246689787790302, -2.98493998125637 ], [ 0, 0, 0 ], [ 0.4760939486878746, 0.28041000940839966, -4.254675093291145 ], [ -0.47609394868787497, -0.2804100094083996, -1.763969246708855 ] ]
[ [ -1.5350122451963322, 2.6493379575580605, -0.04876437748725956 ], [ 2.966786041943317, 0, -0.7588232680292729 ], [ -1.431773796746985, -2.6493379575580605, -5.211056694483467 ] ]
[ 23, 29, 8, 8 ]
[ 1, 1, 1 ]
mp-997181
R-3m
Cu-O-V
0.010418
0
null
null
1,942.294262
154.167236
[ [ 0, 0, -5.7940735 ], [ 0, 0, 0 ], [ -1.5249307900000002, -0.8804192021020488, -2.89703675 ], [ -1.5249307899999998, 0.8804192021020488, -8.69111025 ], [ -1.5249307900000002, -0.8804192021020488, -1.049341475291 ], [ -1.524930790000...
[ [ -1.5249307900000004, -2.641257606306146, -3.7350032217894894e-16 ], [ -1.5249307899999995, 2.641257606306146, 1.8675016108947447e-16 ], [ 0, 0, -11.588147 ] ]
[ 23, 23, 29, 29, 8, 8, 8, 8 ]
[ 1, 1, 1 ]
mp-997180
P6_3/mmc
Cu-O-V
0.01322
0
null
0.042858
1,942.294262
158.352615
[ [ 0, 0, 0 ], [ 0.7654557509678368, 0.804379276822745, 3.4384243161199715 ], [ 1.6415934455699004, -0.8043792768227447, 1.6998771407419309 ] ]
[ [ 0.1192905962265098, -2.4040914267566635, 0.5358529031380976 ], [ 2.407049196537737, 0, -0.5358529031380976 ], [ -0.1192905962265098, 2.4040914267566635, 5.138301456861902 ] ]
[ 24, 28, 28 ]
[ 1, 1, 1 ]
alex<agm003160506>
I4/mmm
Cr-Ni
0.025502
null
null
0.000562
2,298.131689
219.086319
[ [ 0.7827616878203303, 1.3585309469744773, 2.5532091997981206 ], [ 2.2726995521796693, 4.075592840923432, 2.0977570293943617 ], [ 0, 0, 0 ], [ -1.6637205757549163e-16, 2.7170618939489546, -0.45545217040375885 ], [ 2.3230917466803693, 0.284980014...
[ [ 3.05546124, 0, 1.8709304137424014e-16 ], [ -3.3274411515098325e-16, 5.434123787897909, -0.9109043408075177 ], [ 0, 0, 5.56187057 ] ]
[ 23, 23, 29, 29, 8, 8, 8, 8 ]
[ 1, 1, 1 ]
alex<agm003127531>
P2/c
Cu-O-V
0.070802
null
null
0.043318
1,942.294262
100.73497
[ [ 4.269194633149887, 1.0490278259160237, -0.3783037315162046 ], [ -1.0746586301215753, 4.400702065911649, 4.3730966344175535 ], [ 1.2641899360359368, 3.697790182247329, 0.9364779072395705 ], [ 1.9303460669923744, 1.7519397095803435, 3.058314995661778 ], ...
[ [ 5.0602348480797374, 0, -1.588673553931669 ], [ -1.8656988450514262, 5.449729891827673, -0.17957396316698288 ], [ 0, 0, 5.76304042 ] ]
[ 23, 23, 29, 29, 8, 8, 8, 8, 8, 8, 8 ]
[ 1, 1, 1 ]
alex<agm003317690>
C2/m
Cu-O-V
0.01103
null
null
0.01257
1,739.263597
29.347799
[ [ 1.5031771692242406, 2.156252382329989, -1.5432649329992334 ], [ 2.976464317219816, 0, 2.922451163912888 ], [ 2.976464317219816, 0, -0.07839771108711206 ], [ -1.4732871479955756, 2.156252382329989, -1.4648672219121213 ], [ 2.9908007288363385, ...
[ [ 5.952928634439632, 0, -0.15679542217422412 ], [ -2.946574295991151, 4.312504764659978, -2.9297344438242425 ], [ 0, 0, 6.00169775 ] ]
[ 23, 23, 23, 23, 29, 29, 8, 8, 8, 8, 8, 8, 8, 8 ]
[ 1, 1, 1 ]
alex<agm003457740>
C2/m
Cu-O-V
0.052699
null
null
0.038942
2,064.79981
157.32045
[ [ -4.953833851785663e-34, 2.0199747556720168e-16, 3.3148589619114994 ], [ 4.748225, -3.845792905164454, 2.22036956904425 ], [ 1.7578286674343427e-16, -2.8707520709778716, 6.09816861904425 ], [ 2.3741125, 7.904504775672638e-17, 5.8789760277430005 ], [ ...
[ [ 4.748225, 0, 2.90744927394072e-16 ], [ -4.1126976531809674e-16, 6.716544976142326, 3.8777990500000015 ], [ 4.1126976531809674e-16, -6.716544976142326, 3.877799049999999 ] ]
[ 60, 60, 60, 12, 12, 12, 49, 49, 49 ]
[ 1, 1, 1 ]
mp-1206860
P-62m
In-Mg-Nd
0
0
null
0.000001
2,431.276622
42.799786
[ [ 3.73414818, -1.4515056654306746, 2.5140815599999997 ], [ 1.86707409, 1.000071181248033e-49, 1.1432531540447286e-16 ], [ 1.8670740899999998, 1.4515056654306742, 2.51408156 ] ]
[ [ 3.73414818, 0, 2.286506308089457e-16 ], [ -2.6663726506708866e-16, 4.354516996292023, 2.514081560000001 ], [ 2.6663726506708866e-16, -4.354516996292023, 2.5140815599999993 ] ]
[ 60, 12, 49 ]
[ 1, 1, 1 ]
alex<agm001272938>
P-6m2
In-Mg-Nd
0.081335
null
null
0.00015
2,431.276622
42.753185
[ [ 0, 0, -3.74429747 ], [ 0, 0, 0 ], [ -2.508859845, 1.448490906869793, -1.8721487350000008 ], [ -2.5088598450000004, -1.448490906869793, -5.616446205 ], [ -2.508859845, 1.448490906869793, -5.616446205 ], [ -2.5088598450000004, -...
[ [ -2.5088598450000004, -4.345472720609378, -6.144934357377149e-16 ], [ -2.5088598449999995, 4.345472720609378, 3.0724671786885747e-16 ], [ 0, 0, -7.48859494 ] ]
[ 60, 60, 12, 12, 49, 49 ]
[ 1, 1, 1 ]
alex<agm002285790>
P6_3/mmc
In-Mg-Nd
0.053521
null
null
0.000097
2,431.276622
39.296005
[ [ 1.24877701, 0.0161478831104136, 2.0456049972445602 ], [ 1.2487770099999997, 3.811042343110414, 2.2733604577554396 ], [ 3.7463310299999995, 3.7787465768895863, 6.3645704522445605 ], [ 3.7463310299999995, 7.573641036889587, 6.59232591275544 ], [ 3....
[ [ 4.99510804, 0, 3.0586215362906044e-16 ], [ -4.647405353541023e-16, 7.58978892, 4.647405353541023e-16 ], [ 0, 0, 8.63793091 ] ]
[ 60, 60, 60, 60, 12, 12, 12, 12, 49, 49, 49, 49 ]
[ 1, 1, 1 ]
alex<agm002285791>
Pnma
In-Mg-Nd
0.052148
null
null
0.00032
2,431.276622
42.859989
[ [ -5.735389244802797e-16, 3.3580282257699956, 8.308506249665725e-16 ], [ 1.1102230246251565e-16, 10.074084677309987, 5.551115123125783e-16 ], [ 0, 0, 0 ], [ 2.220446049250313e-16, 6.716056451539991, 4.440892098500626e-16 ] ]
[ [ 1.5829896865718633, 4.477370967693328, 2.7418185650000004 ], [ 1.5829896865718633, 4.477370967693328, -2.7418185649999995 ], [ -3.1659793731437262, 4.477370967693328, 0 ] ]
[ 60, 60, 12, 49 ]
[ 1, 1, 1 ]
mp-864612
Fm-3m
In-Mg-Nd
0
0
null
0.000346
2,656.852905
44.414173
[ [ 0, 0, 5.819208891050699 ], [ 0, 0, 1.9343183389493017 ], [ 1.9484075799999998, 1.94840758, 3.8767636150000007 ], [ 1.9484075799999998, 1.94840758, 2.3861111062814405e-16 ] ]
[ [ 3.89681516, 0, 2.3861111062814405e-16 ], [ -2.3861111062814405e-16, 3.89681516, 2.3861111062814405e-16 ], [ 0, 0, 7.75352723 ] ]
[ 60, 60, 12, 49 ]
[ 1, 1, 1 ]
alex<agm001151288>
P4/mmm
In-Mg-Nd
0.051143
null
null
0.002781
2,656.852905
44.750668
[ [ -1.5694782401793001e-16, 2.56315248, 7.124250929083203 ], [ 0, 0, 5.4173326466497995 ], [ 1.980564075, 0, 11.688159034079078 ], [ 1.9805640749999998, 2.56315248, 4.342421887174527 ], [ -1.5694782401793001e-16, 2.56315248, 10.5629966719349...
[ [ 3.96112815, 0, 2.4254914549549884e-16 ], [ -3.1389564803586003e-16, 5.12630496, 3.1389564803586003e-16 ], [ 0, 0, 12.53607347 ] ]
[ 3, 3, 3, 20, 20, 20, 20, 12 ]
[ 1, 1, 1 ]
alex<agm003554666>
Pmm2
Ca-Li-Mg
0.053223
null
null
0.000301
1,655.359716
24.171125
[ [ 0.87051657, 0.27615358603621787, 0.8118875930927597 ], [ 2.6115497100000002, 3.1220437135329537, 3.6055106128680205 ], [ 0.8705165699999999, 1.4290791496938204, 4.201472259830785 ], [ 2.6115497100000002, 1.9691181498753514, 0.21592594612999544 ], [ ...
[ [ 3.48206628, 0, 2.1321506621104658e-16 ], [ -2.0807957228942827e-16, 3.398197299569172, -1.1558550440392192 ], [ 0, 0, 5.57325325 ] ]
[ 24, 24, 28, 28, 28, 28 ]
[ 1, 1, 1 ]
alex<agm003202011>
Cmcm
Cr-Ni
0.055015
null
null
0.009705
2,298.131689
218.799515
[ [ -1.6438347524890905e-16, 2.68458588, 1.6438347524890905e-16 ], [ 0, 0, 2.68458588 ], [ 2.028261275, 0, 1.2419518391316398e-16 ], [ 2.028261275, 2.68458588, 2.6845858800000006 ] ]
[ [ 4.05652255, 0, 2.4839036782632795e-16 ], [ -3.287669504978181e-16, 5.36917176, 3.287669504978181e-16 ], [ 0, 0, 5.36917176 ] ]
[ 60, 60, 12, 49 ]
[ 1, 1, 1 ]
alex<agm001214235>
P4/mmm
In-Mg-Nd
0.039029
null
null
0.000368
2,656.852905
42.054081
[ [ 0, 0, 3.8407645055281456 ], [ 0, 0, 8.474579794471854 ], [ 0, 0, 0 ], [ -1.4976169089833689e-16, 2.44579402, 6.15767215 ], [ 2.44579402, 0, 6.15767215 ], [ 2.44579402, 2.44579402, 3.8354121337419236 ], [ 2.44579402...
[ [ 4.89158804, 0, 2.9952338179667377e-16 ], [ -2.9952338179667377e-16, 4.89158804, 2.9952338179667377e-16 ], [ 0, 0, 12.3153443 ] ]
[ 60, 60, 12, 49, 49, 49, 49, 49, 49, 49, 49 ]
[ 1, 1, 1 ]
alex<agm003534557>
P4/mmm
In-Mg-Nd
0.044331
null
null
-0.000001
2,228.106369
39.420876
[ [ -1.9704859299426838, 1.5824518972167514, 3.661662224444851 ], [ -3.075052590573894, 4.430193019094009, -1.4166908360724029 ], [ -2.8151303667068586, -4.113494462181239, 5.062425141572327 ], [ -3.918384611122637, -1.2638356256225933, -0.013451635991752116...
[ [ -3.8957973623599074, -5.692575045678688, -0.43829933087320416 ], [ 0, 0, 6.91192839 ], [ -2.2111229049753787, 5.692575045678688, -3.236814529563398 ] ]
[ 60, 60, 60, 60, 60, 12, 49, 49 ]
[ 1, 1, 1 ]
alex<agm003471928>
I4/mmm
In-Mg-Nd
0.044072
null
null
-0.000043
2,776.160307
51.262833
[ [ 0.31970413310144546, 5.843568833856776, 4.8776894928990755 ], [ 4.102936735093899, 1.4772556688136675, 1.6417997660477077 ], [ -0.31687051134424893, 4.418854000755069, 1.6526137428445205 ], [ 5.482027372993817, 8.669889886435888, 6.502452647844521 ], ...
[ [ 6.71610191, 0, 4.1124263534144624e-16 ], [ -1.0339633655669551, 8.725829258127305, 5.380409318586566e-16 ], [ 0, 0, 9.69967781 ] ]
[ 60, 60, 60, 60, 60, 60, 60, 60, 60, 60, 60, 60, 12, 12, 49, 49, 49, 49 ]
[ 1, 1, 1 ]
alex<agm003491525>
P2_1/c
In-Mg-Nd
0.092715
null
null
0.000001
2,817.889428
48.450504
[ [ 0, 0, 0 ], [ 0, 0, 7.863222039094668 ], [ 0, 0, 3.9503635509053328 ], [ 1.9260674099999997, 1.92606741, 5.906792795 ], [ 1.9260674099999997, 1.92606741, 9.780763440280031 ], [ 1.9260674099999997, 1.92606741, 2.032822149719...
[ [ 3.85213482, 0, 2.358752288598533e-16 ], [ -2.358752288598533e-16, 3.85213482, 2.358752288598533e-16 ], [ 0, 0, 11.81358559 ] ]
[ 60, 60, 60, 12, 49, 49 ]
[ 1, 1, 1 ]
alex<agm003419529>
P4/mmm
In-Mg-Nd
0.035691
null
null
0.000497
2,640.108087
46.280811
[ [ 1.9397615199999998, 1.93976152, 1.9332656035793865 ], [ 1.9397615199999998, 1.93976152, 5.818411939720768 ], [ 1.9397615199999998, 1.93976152, 9.717953675 ], [ 1.9397615199999998, 1.93976152, 13.617495410279233 ], [ 1.9397615199999998, 1.9397...
[ [ 3.87952304, 0, 2.3755227365772045e-16 ], [ -2.3755227365772045e-16, 3.87952304, 2.3755227365772045e-16 ], [ 0, 0, 19.43590735 ] ]
[ 60, 60, 60, 60, 60, 12, 49, 49, 49, 49 ]
[ 1, 1, 1 ]
alex<agm003649146>
P4/mmm
In-Mg-Nd
0.023159
null
null
0.000126
2,628.221835
48.79562
[ [ 0.6159159875603881, 3.416259921674006, 1.6423366034433675 ], [ 5.385797926089754, 5.101169878325995, 5.234038006798422 ], [ 2.3849409692646826, 7.674974821674006, 6.359432016677528 ], [ 3.6167729443854597, 0.842454978325994, 0.5169425935642615 ], [ ...
[ [ 6.001713913650143, 0, -2.2507880197582115 ], [ -5.215421570766141e-16, 8.5174298, 5.215421570766141e-16 ], [ 0, 0, 9.12716263 ] ]
[ 60, 60, 60, 60, 12, 12, 12, 12, 12, 12, 49, 49, 49, 49, 49, 49, 49, 49 ]
[ 1, 1, 1 ]
alex<agm003336257>
Cmce
In-Mg-Nd
0.079107
null
null
0.000324
2,253.402277
41.643761
[ [ -4.1872443180857895, 0.8384829363760447, -6.177109746262839 ], [ -0.4608827790227315, -0.8384829363760445, -1.6852148540267657 ], [ -4.213037793617649, -3.4366063212384654, -6.271423333177136 ], [ -3.2367635833334973, 0.9130390795334166, -2.7016829032320...
[ [ -4.648127097108522, 0, 1.271197919710395 ], [ -0.8701786069817471, 6.873212642476931, -3.181802534224937 ], [ 0.8701786069817471, -6.873212642476931, -5.951719985775062 ] ]
[ 60, 60, 60, 12, 12, 12, 12, 49, 49, 49, 49 ]
[ 1, 1, 1 ]
alex<agm003381710>
Immm
In-Mg-Nd
0.035221
null
null
-0
2,333.767279
40.415379
[ [ 0, 0, 0 ], [ 0, 0, 7.782426048969857 ], [ 0, 0, 3.9067549010301437 ], [ 1.9360199499999997, 1.93601995, 9.776707625720977 ], [ 1.9360199499999997, 1.93601995, 1.9124733242790228 ], [ 1.9360199499999997, 1.93601995, 5.84459...
[ [ 3.8720399, 0, 2.370940634852919e-16 ], [ -2.370940634852919e-16, 3.8720399, 2.370940634852919e-16 ], [ 0, 0, 11.68918095 ] ]
[ 60, 60, 60, 12, 12, 49 ]
[ 1, 1, 1 ]
alex<agm003439349>
P4/mmm
In-Mg-Nd
0.052583
null
null
0.000022
2,676.140058
42.979153
[ [ 1.210442685, -6.552936485240513e-49, 7.411823798682892e-17 ], [ 2.4208853699999997, 1.983756925596632, 3.4359677850000003 ], [ 2.4208853700000006, -1.9837569255966325, 3.435967785 ], [ 2.42088537, -1.853113716976355, 1.0698957033352867 ], [ 1.210...
[ [ 2.42088537, 0, 1.482364759736578e-16 ], [ -3.6441023538274643e-16, 5.9512707767898965, 3.435967785000001 ], [ 3.6441023538274643e-16, -5.9512707767898965, 3.4359677849999986 ] ]
[ 24, 24, 24, 28, 28, 28, 28, 28, 28 ]
[ 1, 1, 1 ]
alex<agm003267915>
P-62m
Cr-Ni
0.092184
null
null
0.015296
2,298.131689
216.070709
[ [ 2.308663845, 2.308663845, 2.4521018800000003 ], [ -1.4136488940432356e-16, 2.308663845, 1.4136488940432356e-16 ], [ 2.308663845, 0, 1.4136488940432356e-16 ], [ 0, 0, 2.45210188 ] ]
[ [ 4.61732769, 0, 2.8272977880864713e-16 ], [ -2.8272977880864713e-16, 4.61732769, 2.8272977880864713e-16 ], [ 0, 0, 4.90420376 ] ]
[ 60, 12, 12, 49 ]
[ 1, 1, 1 ]
alex<agm001213261>
P4/mmm
In-Mg-Nd
0.078732
null
null
-0
2,278.711607
37.151028
[ [ 0.9979180601516513, 2.7201275323548697, -1.700402622349116 ], [ 2.897401292161984, 4.440892098500626e-16, 1.7004026221226667 ], [ 3.8953193523136345, 2.7201275323548693, -2.2644952579753408e-10 ], [ 2.897401292161984, 4.440892098500626e-16, -1.6183123628...
[ [ 1.9958361203033022, 5.4402550647097385, 3.236624725301769 ], [ 3.7989664640206646, -5.4402550647097385, 0.16418051894356392 ], [ 0, 0, -6.63742997 ] ]
[ 60, 60, 12, 49, 49, 49, 49, 49 ]
[ 1, 1, 1 ]
alex<agm003479193>
I4/mmm
In-Mg-Nd
0
null
null
0
2,316.700362
41.681133
[ [ 1.9393506199999997, 1.93935062, 1.9439800318513367 ], [ 1.9393506199999997, 1.93935062, 5.85334190334042 ], [ 1.9393506199999997, 1.93935062, 9.76324212 ], [ 1.9393506199999997, 1.93935062, 13.67314233665958 ], [ 1.9393506199999997, 1.9393506...
[ [ 3.87870124, 0, 2.3750195292074346e-16 ], [ -2.3750195292074346e-16, 3.87870124, 2.3750195292074346e-16 ], [ 0, 0, 19.52648424 ] ]
[ 60, 60, 60, 60, 60, 12, 12, 12, 12, 49 ]
[ 1, 1, 1 ]
alex<agm003649145>
P4/mmm
In-Mg-Nd
0.045724
null
null
0.000264
2,693.814506
40.83654
[ [ -1.692145617438724e-16, 2.7634835098852375, 4.786493845 ], [ 3.4352704800000002, -2.7634835098852366, 4.786493844999999 ], [ 1.692145617438725e-16, -2.7634835098852366, 4.786493844999999 ], [ 3.4352704799999993, 2.763483509885237, 4.786493845 ], [ ...
[ [ 6.87054096, 0, 4.2069929975373916e-16 ], [ -5.076436852316173e-16, 8.290450529655711, 4.786493845000002 ], [ 5.076436852316173e-16, -8.290450529655711, 4.786493844999998 ] ]
[ 60, 60, 60, 60, 60, 60, 60, 60, 60, 60, 12, 12, 49, 49, 49, 49, 49, 49 ]
[ 1, 1, 1 ]
alex<agm003567951>
P6_3/mcm
In-Mg-Nd
0.020975
null
null
0.000033
2,694.399107
53.333603
[ [ 2.53140491, 2.53140491, 3.100076920377394e-16 ], [ 2.53140491, 2.53140491, 5.017703415 ], [ 2.53140491, 0, 2.4771644086639335 ], [ 2.53140491, 0, 7.5582424213360655 ], [ -1.550038460188697e-16, 2.53140491, 2.4771644086639335 ], [ ...
[ [ 5.06280982, 0, 3.100076920377394e-16 ], [ -3.100076920377394e-16, 5.06280982, 3.100076920377394e-16 ], [ 0, 0, 10.03540683 ] ]
[ 60, 60, 60, 60, 60, 60, 12, 49 ]
[ 1, 1, 1 ]
alex<agm003768881>
P4/mmm
In-Mg-Nd
0.040477
null
null
0.00295
2,911.370181
48.347256
[ [ 0, 0, 0 ], [ 3.106170251967642, 1.0692517133468629, 2.099018202544245 ], [ 1.1988606836287266, -1.0692517133468624, 3.55202817 ], [ 2.812851567179851, -1.67305336562616, 1.2299629723686925 ], [ 1.4921793684165165, 1.67305336562616, 4.4210...
[ [ 0.49041179891853864, -4.277006853387451, 1.4530099674557553 ], [ 4.305030935596368, 0, -1.4530099674557553 ], [ -0.49041179891853864, 4.277006853387451, 5.651046372544244 ] ]
[ 60, 12, 12, 49, 49 ]
[ 1, 1, 1 ]
alex<agm003403985>
I4/mmm
In-Mg-Nd
0.07813
null
null
0.000055
2,202.967185
44.325863
[ [ 2.307550125, 0, 1.4129669372266624e-16 ], [ 2.307550125, 2.359916405, 2.3599164050000003 ], [ -1.4450320358192894e-16, 2.359916405, 1.4450320358192894e-16 ], [ 0, 0, 2.359916405 ] ]
[ [ 4.61510025, 0, 2.825933874453325e-16 ], [ -2.890064071638579e-16, 4.71983281, 2.890064071638579e-16 ], [ 0, 0, 4.71983281 ] ]
[ 60, 12, 49, 49 ]
[ 1, 1, 1 ]
alex<agm001214214>
P4/mmm
In-Mg-Nd
0
null
null
-0.000001
2,306.915916
42.544186
[ [ 0, 0, 6.821263456685586 ], [ 0, 0, 2.299202653314414 ], [ 2.365325745, 2.410266885, 6.831746702841744 ], [ 2.365325745, 2.410266885, 2.288719407158258 ], [ -1.475862812903056e-16, 2.410266885, 1.475862812903056e-16 ], [ -1.4758628...
[ [ 4.73065149, 0, 2.8966886025550785e-16 ], [ -2.951725625806112e-16, 4.82053377, 2.951725625806112e-16 ], [ 0, 0, 9.12046611 ] ]
[ 60, 60, 12, 12, 12, 49, 49, 49 ]
[ 1, 1, 1 ]
alex<agm003329785>
Pmmm
In-Mg-Nd
0.042168
null
null
0.000332
2,294.62211
39.28656
[ [ 3.1236481199999995, 0.07025138197685399, 1.4246942133036393 ], [ 1.0412160399999995, 6.836199458023146, 5.714520606696362 ], [ 3.1236481199999995, 3.523476801976854, 2.1449131966963613 ], [ 1.0412160399999997, 3.382974038023146, 4.99430162330364 ], [...
[ [ 4.16486416, 0, 2.5502437812137647e-16 ], [ -4.2289814573372743e-16, 6.90645084, 4.2289814573372743e-16 ], [ 0, 0, 7.13921482 ] ]
[ 65, 65, 65, 65, 14, 14, 14, 14, 28, 28, 28, 28 ]
[ 1, 1, 1 ]
mp-1208359
Pnma
Ni-Si-Tb
0.000534
0
null
null
2,477.751952
124.550781
[ [ 3.7610000568783843, 2.2915452031216152, 5.317817833121615 ], [ 2.291545203121615, 5.317817833121615, 3.761000056878385 ], [ 0.7347274268783848, 0.7347274268783848, 0.7347274268783848 ], [ 5.317817833121615, 3.7610000568783843, 2.2915452031216157 ], [...
[ [ 6.05254526, 0, 3.7061150896767423e-16 ], [ -3.7061150896767423e-16, 6.05254526, 3.7061150896767423e-16 ], [ 0, 0, 6.05254526 ] ]
[ 65, 65, 65, 65, 14, 14, 14, 14, 28, 28, 28, 28 ]
[ 1, 1, 1 ]
alex<agm002317522>
P2_13
Ni-Si-Tb
0.048931
null
null
-0
2,477.751952
98.017838
[ [ 0, 0, 0 ], [ 1.756380825, 1.2565409257439695, 1.2188229564929725 ], [ 1.7563808249999997, 3.819771874437412, 3.7051126260563447 ], [ -1.5541725555532166e-16, 2.5381564000906907, 2.4619677912746583 ], [ 0, 0, 2.539335275 ], [ -1.55...
[ [ 3.51276165, 0, 2.1509461554200374e-16 ], [ -3.108345111106433e-16, 5.076312800181381, -0.15473496745068324 ], [ 0, 0, 5.07867055 ] ]
[ 24, 24, 24, 28, 28, 28, 28, 28 ]
[ 1, 1, 1 ]
alex<agm002334296>
Cmmm
Cr-Ni
0.037497
null
null
0.020897
2,402.357988
208.352081
[ [ 2.972459775909474, -0.9642476610776318, 3.1528303487864906 ], [ 3.70850115099703, 1.9239236934815607, 5.76677417780537 ], [ 0.5972568665446557, 0.6466485117512808, 2.1210709172788116 ], [ 1.6395954943187199, -0.31607527310178235, 5.822784862278811 ], ...
[ [ 0.306297252686508, -3.850895139412257, 1.0877701159811202 ], [ 3.863057258409749, 0, -1.0877701159811202 ], [ -0.306297252686508, 3.850895139412257, 6.315657774018879 ] ]
[ 65, 65, 14, 14, 28, 28 ]
[ 1, 1, 1 ]
alex<agm002187860>
I4_1md
Ni-Si-Tb
0
null
null
-0
2,477.751952
114.381248
[ [ 3.82497311, -1.1744568237321218, 2.0342188900000004 ], [ 1.9124865549999999, 1.1744568237321216, 2.0342188900000004 ], [ 1.912486555, 0, 4.06843778 ] ]
[ [ 3.82497311, 0, 2.3421205379930986e-16 ], [ -2.1574421848804652e-16, 3.5233704711963654, 2.034218890000001 ], [ 2.1574421848804652e-16, -3.5233704711963654, 2.034218889999999 ] ]
[ 65, 14, 28 ]
[ 1, 1, 1 ]
alex<agm001261213>
P-6m2
Ni-Si-Tb
0.030104
null
null
-0.000373
2,477.751952
111.65876
[ [ 0, 0, 0 ], [ 0, 0, -4.03753623 ], [ -1.9974806450000002, -1.153245988091817, -2.0187681150000003 ], [ -1.9974806450000002, 1.153245988091817, -6.056304345 ], [ -1.9974806450000002, 1.153245988091817, -2.018768115 ], [ -1.997480645...
[ [ -1.9974806450000004, -3.459737964275452, -4.892416556516081e-16 ], [ -1.9974806449999996, 3.459737964275452, 2.4462082782580406e-16 ], [ 0, 0, -8.07507246 ] ]
[ 65, 65, 14, 14, 28, 28 ]
[ 1, 1, 1 ]
alex<agm002242136>
P6_3/mmc
Ni-Si-Tb
0.020984
null
null
0.000044
2,477.751952
109.763557
[ [ -1.247884729337002e-16, 2.03795042, 2.04956131240201 ], [ 2.03795042, 0, 4.424853407597991 ], [ -1.247884729337002e-16, 2.03795042, 5.232476302372801 ], [ 2.03795042, 0, 1.2419384176272001 ], [ 0, 0, 0 ], [ 2.03795042, 2.03795...
[ [ 4.07590084, 0, 2.495769458674004e-16 ], [ -2.495769458674004e-16, 4.07590084, 2.495769458674004e-16 ], [ 0, 0, 6.47441472 ] ]
[ 65, 65, 14, 14, 28, 28 ]
[ 1, 1, 1 ]
alex<agm002242135>
P4/nmm
Ni-Si-Tb
0.026149
null
null
0.000121
2,477.751952
114.031158
[ [ 0, 0, 0 ], [ 0, 0, -11.2845867 ], [ 0, 0, -7.5230578 ], [ 0, 0, -3.761528900000002 ], [ -2.04583289, 1.18116216975849, -5.632510967481505 ], [ -2.04583289, -1.1811621697584904, -13.155568767481505 ], [ -2.04583289,...
[ [ -2.0458328900000002, -3.54348650927547, -5.010845400657757e-16 ], [ -2.0458328899999993, 3.54348650927547, 2.5054227003288787e-16 ], [ 0, 0, -15.0461156 ] ]
[ 65, 65, 65, 65, 14, 14, 14, 14, 28, 28, 28, 28 ]
[ 1, 1, 1 ]
alex<agm002317523>
P6_3/mmc
Ni-Si-Tb
0.027061
null
null
0.000233
2,477.751952
113.155441
[ [ -1.2488980953224977, 0.7476230307323872, -5.696211166121904 ], [ -2.583212638078983, -0.7346344556084722, -2.5948551766859422 ], [ -0.002666577312519816, -0.002962235708098373, -0.012162231265941213 ], [ -0.6039501752306546, 1.4640799471661976, -2.754610...
[ [ -3.843802929148326, 0, 0.8427563545335942 ], [ -0.2059075505406365, 4.041249260707614, -0.9391421869964739 ], [ 0.2059075505406365, -4.041249260707614, -8.248008493003526 ] ]
[ 65, 65, 65, 14, 14, 14, 28 ]
[ 1, 1, 1 ]
mp-1391984
Imm2
Ni-Si-Tb
0.016203
null
null
0.000171
2,662.955061
91.193108
[ [ 2.113697400583281, 4.606166746573618, 2.39608391571423 ], [ 5.421132442846857, 2.678748955837907, 9.581298553040984 ], [ 3.9604563418884084, 6.515895669246518, 5.486542074671419 ], [ 3.5743735015417295, 0.7690200331650067, 6.490840394083794 ], [ ...
[ [ 5.28813381671866, 0, 2.032919258041947 ], [ 2.246696026711478, 7.284915702411525, 2.0501211507132666 ], [ 0, 0, 7.89434206 ] ]
[ 65, 65, 65, 65, 14, 14, 14, 14, 14, 14, 14, 14, 14, 14, 28, 28, 28, 28, 28, 28 ]
[ 1, 1, 1 ]
mp-15204
Ibam
Ni-Si-Tb
0
0
null
null
2,191.00901
134.654816
[ [ 0, 0, 0 ], [ 1.184904513749114, 1.3758065683890262, 3.0771372310333285 ], [ 2.5474166059611494, -1.3758065683890264, 1.0505903151755873 ], [ 1.0714343708253922, -0.9227659260730969, 2.7824609450000004 ], [ 2.66088674888487, 0.9227659260730974...
[ [ 0.5534163635913064, -3.6910637042923886, 1.4371943437910848 ], [ 3.7323211197102633, 0, -1.4371943437910848 ], [ -0.5534163635913064, 3.6910637042923886, 4.127727546208915 ] ]
[ 65, 14, 14, 28, 28 ]
[ 1, 1, 1 ]
mp-4466
I4/mmm
Ni-Si-Tb
0
0
null
null
2,180.320371
131.765366
[ [ 0, 0, 0 ], [ 1.9577925549999997, 1.957792555, 3.7366561209082607 ], [ 1.9577925549999997, 1.957792555, 1.1881968090917394 ], [ 1.957792555, 0, 2.462426465 ], [ -1.1988021929376342e-16, 1.957792555, 2.462426465 ] ]
[ [ 3.91558511, 0, 2.3976043858752684e-16 ], [ -2.3976043858752684e-16, 3.91558511, 2.3976043858752684e-16 ], [ 0, 0, 4.92485293 ] ]
[ 65, 14, 14, 28, 28 ]
[ 1, 1, 1 ]
alex<agm003389877>
P4/mmm
Ni-Si-Tb
0.069802
null
null
0.000001
2,180.320371
143.47348
[ [ 2.9862427499999997, 3.482897222065027, 5.822158433489002 ], [ 0.99541425, 0.41311349654814805, 1.6948227197191237 ], [ 2.9862427499999997, 0.9759195169268514, 4.00376793236085 ], [ 0.9954142499999997, 2.9200912016863234, 3.513213220847276 ], [ 2....
[ [ 3.981657, 0, 2.4380617501763263e-16 ], [ -2.385618527996702e-16, 3.896010718613175, -0.9496536667918739 ], [ 0, 0, 8.46663482 ] ]
[ 65, 65, 14, 14, 14, 14, 28, 28 ]
[ 1, 1, 1 ]
mp-4993
Cmcm
Ni-Si-Tb
0
0
null
-0.000021
2,326.163361
131.274628
[ [ -8.991650299717202e-13, 0.007226567391367273, -0.0016972240397189905 ], [ 1.237588897441374, 1.4686523521801296, 1.5457550310442132 ], [ -3.685382979642941e-10, 2.9619339860874687, 3.129046891481641 ], [ -4.3083845617416595e-10, 3.4626384531194896, 0.676...
[ [ 2.47517782, 0, 1.5156092972917616e-16 ], [ -1.2375889105513507, 4.431193367447005, -1.1985074998296525 ], [ 0, 0, 5.86485714 ] ]
[ 24, 28, 28, 28, 28, 28 ]
[ 1, 1, 1 ]
alex<agm003197063>
Cm
Cr-Ni
0.054045
null
null
0.016945
1,891.329378
223.611923
[ [ 0, 0, 0 ], [ -1.3326751324095585, -0.8042672826171694, -2.694816359036423 ], [ -4.254438138854771, -2.567546521869078, -7.100432612737388 ], [ -2.3632786278598585, -1.4262348218800223, -6.548870992671221 ], [ -0.7661488305949444, -0.462369577...
[ [ -1.776114552383398, -3.3718138044862473, -0.9930612608869054 ], [ -3.8109987188809313, 0, -0.9930612608869054 ], [ 0, 0, -7.80912645 ] ]
[ 65, 14, 14, 28, 28, 28, 28 ]
[ 1, 1, 1 ]
alex<agm003456278>
R-3m
Ni-Si-Tb
0.07047
null
null
-0.000002
2,002.800998
154.428726
[ [ 0, 0, 0 ], [ 3.446079102981225, 3.958638352459237, 6.847870955109099 ], [ 1.1354259127067192, 1.3510240617337115, 2.3240518248169484 ], [ 0.5859056571550626, 2.6548312070964744, 4.039994508395565 ], [ 2.8436992413071716, 2.8672820036760283, ...
[ [ 3.4096937013778192, 0, 1.091933763134917 ], [ 1.1718113143101252, 5.309662414192949, 2.21043405679113 ], [ 0, 0, 5.86955496 ] ]
[ 65, 14, 14, 28, 28, 28, 28, 28 ]
[ 1, 1, 1 ]
alex<agm003475338>
Immm
Ni-Si-Tb
0.022544
null
null
-0
1,944.772633
156.286804
[ [ 3.676232235488458, 0, 4.147633387187858 ], [ 0.9885392099399093, 2.029830185, 2.6478529419808297 ], [ 2.586699516105186, 0, 1.229264096688011 ], [ 2.0831369872401417, 2.029830185, -0.11955400426309516 ] ]
[ [ 3.7349629213933118, 0, -1.394396657333683 ], [ -2.4858250388729294e-16, 4.05966037, 2.4858250388729294e-16 ], [ 0, 0, 5.69934314 ] ]
[ 65, 65, 14, 28 ]
[ 1, 1, 1 ]
alex<agm003623780>
Amm2
Ni-Si-Tb
0.028539
null
null
-0.000027
2,722.150752
92.142662