pos
listlengths
1
20
cell
listlengths
3
3
atomic_numbers
listlengths
1
20
pbc
listlengths
3
3
ids
stringlengths
4
18
space_group
stringclasses
179 values
chemical_system
stringlengths
1
19
energy_above_hull
float64
0
0.1
dft_band_gap
float64
0
9.72
dft_bulk_modulus
float64
0.54
401
dft_mag_density
float64
-0.18
0.24
hhi_score
float64
0
9.1k
ml_bulk_modulus
float64
1.09
399
[ [ 1.3469520524999998, 3.6870798878934194, 3.764330354473851 ], [ 4.0408561575, 1.944490202279886, 1.858122421649095 ], [ 0.011818318942881014, 4.6754095697885605, 0.7642745980996908 ], [ 5.375989891057119, 0.956160520384745, 4.858178178023255 ], [ ...
[ [ 5.38780821, 0, 3.2990810393981657e-16 ], [ -3.448342142552355e-16, 5.631570090173305, -0.2573035638770548 ], [ 0, 0, 5.87975634 ] ]
[ 39, 39, 30, 30, 30, 30, 30, 30, 78, 78 ]
[ 1, 1, 1 ]
alex<agm003715748>
P2_1/m
Pt-Y-Zn
0.025565
null
null
0.00006
4,954.534415
90.427094
[ [ 4.112030493996211, 3.837743165138033, 10.493193162607538 ], [ 3.22632326971204, 3.5055769211608196, 4.508512008020971 ], [ 1.7155604638189965, 1.36768764413348, 1.729149330207386 ], [ 2.6012676881031673, 1.6998538881106928, 7.713830484793954 ], [ ...
[ [ 3.9551072593531225, 0, 0.7712687172594258 ], [ 1.8724836984620845, 5.205430809271513, 0.9244385755554991 ], [ 0, 0, 10.5266352 ] ]
[ 39, 39, 39, 39, 30, 30, 30, 30, 78, 78 ]
[ 1, 1, 1 ]
alex<agm003406681>
C2/m
Pt-Y-Zn
0.05842
null
null
0.000198
4,935.599369
83.105278
[ [ 0, 0, 0 ], [ 0, 0, 6.927095151581058 ], [ 0, 0, 3.3601112584189408 ], [ 1.787553705, 1.787553705, 5.143603205 ], [ 1.787553705, 1.787553705, 8.568830319680895 ], [ 1.787553705, 1.787553705, 1.7183760903191052 ] ]
[ [ 3.57510741, 0, 2.1891219231322423e-16 ], [ -2.1891219231322423e-16, 3.57510741, 2.1891219231322423e-16 ], [ 0, 0, 10.28720641 ] ]
[ 39, 39, 39, 30, 78, 78 ]
[ 1, 1, 1 ]
alex<agm002325156>
P4/mmm
Pt-Y-Zn
0.039893
null
null
0.000409
6,047.770304
92.203407
[ [ 4.150890079334943, 3.2763846073236023, 7.048658248295352 ], [ 1.192145587687296, 1.4181968014099224, 2.785461494905529 ], [ 0, 0, 0 ], [ 2.361679096997288, 1.2223965144972588, 5.622398727736285 ], [ 2.9813565700249507, 3.472184894236266, ...
[ [ 4.049969007737548, 0, 1.779055937953178 ], [ 1.2930666592846904, 4.694581408733525, 2.5557176152477026 ], [ 0, 0, 5.49934619 ] ]
[ 39, 39, 30, 78, 78 ]
[ 1, 1, 1 ]
alex<agm002247134>
Immm
Pt-Y-Zn
0.044615
null
null
-0.000024
6,531.717917
110.523026
[ [ 4.683121843592245, 4.46633500703242, 4.578749167759428 ], [ 0.5828497414474018, 3.1411733829675805, 1.578182760156663 ], [ 3.2158355339672258, 0.6625808120324196, 0.6057763641147083 ], [ 2.050136051072421, 6.944927577967579, 5.551155563801382 ], [ ...
[ [ 5.265971585039647, 0, -1.9448127920839091 ], [ -4.658255399650067e-16, 7.60750839, 4.658255399650067e-16 ], [ 0, 0, 8.10174472 ] ]
[ 39, 39, 39, 39, 30, 30, 30, 30, 30, 30, 78, 78, 78, 78, 78, 78, 78, 78 ]
[ 1, 1, 1 ]
alex<agm003334080>
Cmce
Pt-Y-Zn
0
null
null
-0
6,874.890207
127.845139
[ [ 0, 0, 0 ], [ 0, 0, 6.921390384427647 ], [ 0, 0, 3.5717633355723537 ], [ 1.789208355, 1.789208355, 8.76436393749436 ], [ 1.789208355, 1.789208355, 1.7287897825056406 ], [ 1.789208355, 1.789208355, 5.24657686 ] ]
[ [ 3.57841671, 0, 2.1911482849584513e-16 ], [ -2.1911482849584513e-16, 3.57841671, 2.1911482849584513e-16 ], [ 0, 0, 10.49315372 ] ]
[ 39, 39, 39, 30, 30, 78 ]
[ 1, 1, 1 ]
alex<agm003436041>
P4/mmm
Pt-Y-Zn
0.008462
null
null
0.000001
4,585.208554
75.881882
[ [ 3.3844536675, 7.415255220643754, 5.418840733555375 ], [ 1.1281512225, 0.085794759356246, 2.2661435564446264 ], [ 3.3844536675, 3.6647302306437544, 6.108635701444626 ], [ 1.1281512224999999, 3.836319749356246, 1.5763485885553743 ], [ 1.12815122249...
[ [ 4.51260489, 0, 2.763173567177597e-16 ], [ -4.5930684241256595e-16, 7.50104998, 4.5930684241256595e-16 ], [ 0, 0, 7.68498429 ] ]
[ 60, 60, 60, 60, 28, 28, 28, 28, 51, 51, 51, 51 ]
[ 1, 1, 1 ]
alex<agm002295860>
Pnma
Nd-Ni-Sb
0.046968
null
null
0.000003
2,923.276092
87.859604
[ [ 2.747068776157108, -0.558590500982105, 3.081479839313229 ], [ 0.5065854205727641, 0.5585905009821048, 1.6230895011692068 ], [ 1.4683517059565843, 1.6190898548182853, 4.704569340482436 ] ]
[ [ 0.3169507848167035, -3.2381797096365705, 1.0155039395175645 ], [ 3.253654196729872, 0, -1.0155039395175645 ], [ -0.3169507848167035, 3.2381797096365705, 4.704569340482436 ] ]
[ 3, 3, 12 ]
[ 1, 1, 1 ]
alex<agm003161409>
I4/mmm
Li-Mg
0.033386
null
null
0
1,845.049362
48.389038
[ [ 2.1944635332459534, -2.9269226447740992, -1.5813396848390955 ], [ -1.6504818963238042, -0.2042560851771853, -5.760518286201828 ], [ -0.8637113343234958, -2.1563416057436875, -3.0145285411562175 ], [ 0.19261008850484052, -5.145504054006917, 0.672248474051...
[ [ 4.8933808145013415, 0, -1.4020329504768838 ], [ 0.4223238257035558, -6.598812707115307, 1.473996246309092 ], [ -4.8933808145013415, 0, -7.838431829523116 ] ]
[ 39, 39, 39, 39, 39, 39, 39, 39, 30, 30, 78 ]
[ 1, 1, 1 ]
alex<agm003526758>
C2/m
Pt-Y-Zn
0.059057
null
null
0.002056
3,734.334244
56.668495
[ [ 3.484189396357748, 1.69295033, 5.195733371951327 ], [ 0.4924460091835403, 5.078850989999999, 1.8817487710268692 ], [ 1.9883177027706442, 3.38590066, -0.5203346435109016 ], [ 1.9883177027706445, 0, -0.5203346435109019 ], [ 1.3107748243372381, ...
[ [ 3.976635405541289, 0, -1.0406692870218037 ], [ -4.1465324054999106e-16, 6.77180132, 4.1465324054999106e-16 ], [ 0, 0, 8.11815143 ] ]
[ 39, 39, 30, 30, 30, 30, 30, 30, 30, 30, 78, 78 ]
[ 1, 1, 1 ]
alex<agm003748014>
Cmcm
Pt-Y-Zn
0.075217
null
null
0.000001
4,588.360339
81.825478
[ [ -4.979462069042369, -4.453864575859901, -5.64602102566775 ], [ -2.5209025498774147, -2.25481355423864, -2.8583546983428625 ], [ -0.37495201016978635, -3.3543390650492704, -7.228944621002653 ], [ -3.3752302992901058, 0, -7.228944621002653 ], [ 0, ...
[ [ -0.7499040203395727, -6.708678130098541, -0.8502874020053064 ], [ -6.7504605985802115, 0, -0.8502874020053064 ], [ 0, 0, -6.80380092 ] ]
[ 39, 39, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 78, 78 ]
[ 1, 1, 1 ]
alex<agm003300719>
R-3m
Pt-Y-Zn
0.023479
null
null
-0
3,793.777001
87.342171
[ [ -1.6177285066139675e-16, 2.641951145, 1.6177285066139675e-16 ], [ 0, 0, 4.58432416 ], [ 2.190691625, 2.641951145, 4.58432416 ], [ 2.1906916249999995, 3.967910282783837, 2.3049561035522115 ], [ 2.190691625, 1.3159920072161637, 6.8636922164...
[ [ 4.38138325, 0, 2.682823486475164e-16 ], [ -3.235457013227935e-16, 5.28390229, 3.235457013227935e-16 ], [ 0, 0, 9.16864832 ] ]
[ 39, 39, 30, 30, 30, 30, 30, 78, 78, 78, 78, 78 ]
[ 1, 1, 1 ]
alex<agm003372946>
Pmmm
Pt-Y-Zn
0.027973
null
null
0.000174
6,728.483884
126.598251
[ [ 0, 0, 0 ], [ -9.790951389800494e-17, 1.598983706423327, 2.76952102 ], [ 9.790951389800498e-17, -1.5989837064233279, 2.7695210199999996 ], [ 2.0136358349999997, 2.3984755596349907, 4.1542815300000004 ], [ 2.013635835, 0, 2.76952102 ], ...
[ [ 4.02727167, 0, 2.465992679981158e-16 ], [ -2.937285416940148e-16, 4.796951119269981, 2.769521020000001 ], [ 2.937285416940148e-16, -4.796951119269981, 2.769521019999999 ] ]
[ 39, 30, 30, 78, 78, 78 ]
[ 1, 1, 1 ]
alex<agm002324373>
P6/mmm
Pt-Y-Zn
0.03318
null
null
-0.000013
7,212.020845
136.078445
[ [ 0, 0, 0 ], [ 1.1102230246251565e-16, 9.834748892488989, 1.1853495535119051e-15 ], [ 0.7686283487242027, 7.100001579254427, -1.331303352128087 ], [ 0.7686283487242027, 7.100001579254427, 1.3313033521280886 ], [ -7.490938350001844e-18, 4.925992...
[ [ 1.5453816962546338, 4.370999507772884, 2.6766796150000003 ], [ 1.5453816962546338, 4.370999507772884, -2.6766796149999994 ], [ -3.0907633925092672, 4.370999507772884, 0 ] ]
[ 39, 30, 78, 78, 78, 78 ]
[ 1, 1, 1 ]
alex<agm002246990>
F-43m
Pt-Y-Zn
0.088209
null
null
0.000053
7,977.834621
168.356506
[ [ 3.0066298274999994, 5.780477802342386, 0.24757521512519043 ], [ 1.0022099424999997, 4.720097951028245, 7.539252662782476 ], [ 3.0066298275, 1.8806122701889996, -0.6297783651985299 ], [ 1.0022099424999995, 8.619963483181632, 8.416606243106198 ], [ ...
[ [ 4.00883977, 0, 2.4547063963125555e-16 ], [ -6.429748242784826e-16, 10.500575753370631, -3.5723199920923325 ], [ 0, 0, 11.35914787 ] ]
[ 57, 57, 67, 67, 67, 67, 67, 67, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16 ]
[ 1, 1, 1 ]
mp-1188862
P2_1/m
Ho-La-S
0
1.0735
null
-0.000093
2,610.924057
50.850853
[ [ 1.1726075362171704, 3.3036837614937165, 2.033856437946621 ], [ 3.482444044129801, 0, 2.0373656110363503 ], [ 0, 0, 0 ], [ 1.1726075362171704, 3.3036837614937165, -1.9972331670533792 ], [ -2.3098365079126304, 3.3036837614937165, -0.0035091...
[ [ 6.964888088259602, 0, -3.9874479879272995 ], [ -4.619673015825261, 6.607367522987433, -0.007018346179458904 ], [ 0, 0, 8.06217921 ] ]
[ 57, 57, 57, 57, 67, 67, 67, 16, 16, 16, 16, 16, 16, 16, 16 ]
[ 1, 1, 1 ]
alex<agm003384597>
C2/m
Ho-La-S
0.072054
null
null
0.000036
2,687.819677
62.985519
[ [ 1.1718715309885308, 3.295456459990128, -1.9753107562647876 ], [ 3.4601827129414553, 0, 2.040172625467891 ], [ 1.1718715309885308, 3.295456459990128, 2.036722798735213 ], [ 3.4601827129414553, 0, -1.9718609295321095 ], [ -2.2883111819529245, 3...
[ [ 6.920365425882911, 0, -3.943721859064219 ], [ -4.576622363905849, 6.590912919980256, -0.006899653465356237 ], [ 0, 0, 8.02406711 ] ]
[ 57, 57, 57, 67, 67, 67, 67, 16, 16, 16, 16, 16, 16, 16, 16 ]
[ 1, 1, 1 ]
alex<agm003384598>
C2/m
Ho-La-S
0.042484
null
null
0.00007
2,695.867143
53.675755
[ [ -8.524254325623368e-17, 1.3921163769926623, 2.411216295 ], [ 8.524254325623373e-17, -1.3921163769926626, 2.411216295 ], [ 1.50722897, 0, 4.82243259 ] ]
[ [ 3.01445794, 0, 1.8458231336926618e-16 ], [ -2.557276297687011e-16, 4.176349130977987, 2.411216295000001 ], [ 2.557276297687011e-16, -4.176349130977987, 2.411216294999999 ] ]
[ 3, 3, 12 ]
[ 1, 1, 1 ]
alex<agm003203868>
P6/mmm
Li-Mg
0.031923
null
null
0.000002
1,845.049362
23.263601
[ [ 1.0014462524999996, 6.094120516062657, 4.412797208346172 ], [ 3.0043387575000002, 1.7951181564725218, 2.8145837287713924 ], [ 1.0014462524999999, 5.299634025513521, 0.7036800901401443 ], [ 3.0043387575000002, 2.5896046470216576, 6.52370084697742 ], [...
[ [ 4.00578501, 0, 2.452835895284474e-16 ], [ -4.83076544401486e-16, 7.889238672535178, -0.7047537628824356 ], [ 0, 0, 7.9321347 ] ]
[ 57, 57, 67, 67, 16, 16, 16, 16, 16, 16 ]
[ 1, 1, 1 ]
alex<agm003710108>
P2_1/m
Ho-La-S
0.023274
null
null
-0
2,595.015121
53.507603
[ [ 0, 0, 3.556638535 ], [ 2.032222965, 3.3580736817087105, 2.3848796788942512 ], [ -2.05622709280277e-16, 3.3580736817087105, -1.1717588561057488 ], [ 2.032222965, 0, 1.2443776746204967e-16 ], [ -3.1481712332306525e-16, 5.141353793473403, 3....
[ [ 4.06444593, 0, 2.4887553492409933e-16 ], [ -4.11245418560554e-16, 6.716147363417421, -2.3435177122114976 ], [ 0, 0, 7.11327707 ] ]
[ 57, 57, 57, 67, 16, 16, 16, 16 ]
[ 1, 1, 1 ]
alex<agm003560117>
Cmmm
Ho-La-S
0.013636
null
null
0.000029
2,720.589595
72.488594
[ [ 1.0373275274999998, 4.53413128892212, 8.399613344041878 ], [ 3.1119825824999996, 6.296702386948794, 0.07975348391576545 ], [ 1.0373275274999996, 7.415279804500091, 3.7347665268358465 ], [ 3.1119825825, 3.4155538713708222, 4.744600301121796 ], [ 1...
[ [ 4.14931011, 0, 2.540719672440626e-16 ], [ -6.631972896626338e-16, 10.830833675870913, -3.312535342042358 ], [ 0, 0, 11.79190217 ] ]
[ 57, 57, 57, 57, 57, 57, 67, 67, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16, 16 ]
[ 1, 1, 1 ]
alex<agm003572375>
P2_1/m
Ho-La-S
0.088006
null
null
-0.000002
2,578.036398
58.116604
[ [ -2.7956559010482005, -1.696743282761015, -4.624145666981542 ], [ -1.8166744598808204, -1.1025785346510468, -0.8004826506247448 ], [ -5.1167677540302545, -3.105475646285309, -3.6041460667091236 ], [ -4.105979299667194, -2.492006542455373, -7.2520168746355...
[ [ -1.7477757714944246, -3.3587220458124074, -1.0491335416403889 ], [ -3.7862559248483474, 0, -1.0491335416403889 ], [ 0, 0, -7.35674464 ] ]
[ 57, 67, 16, 16 ]
[ 1, 1, 1 ]
alex<agm005114506>
R3m
Ho-La-S
0.060583
null
null
0.00002
2,734.006737
59.287571
[ [ -2.7804813021844543, -1.69636526146474, -4.662025187484103 ], [ 0, 0, 0 ], [ -1.4323515965100715, -0.873874421890306, -2.1865850033455674 ], [ -4.128611007858837, -2.518856101039174, -7.137465371622639 ] ]
[ [ -1.7455327491970498, -3.39273052292948, -1.1124699774841036 ], [ -3.815429855171859, 0, -1.1124699774841036 ], [ 0, 0, -7.09911042 ] ]
[ 57, 67, 16, 16 ]
[ 1, 1, 1 ]
alex<agm003616112>
R-3m
Ho-La-S
0
null
null
-0.000296
2,734.006737
63.385639
[ [ 0, 0, 0 ], [ 4.440892098500626e-16, 5.980467394550219, -1.0842507291997092e-15 ], [ 1.0901523424238597e-15, 2.990233697275111, -8.622061242746779e-16 ], [ 4.440892098500626e-16, 8.970701091825328, -2.0905845721230763e-16 ] ]
[ [ 1.409609683117168, 3.986978263033479, 2.4415155900000003 ], [ 1.409609683117168, 3.986978263033479, -2.4415155899999994 ], [ -2.8192193662343357, 3.986978263033479, 0 ] ]
[ 65, 64, 45, 45 ]
[ 1, 1, 1 ]
mp-1187363
Fm-3m
Gd-Rh-Tb
0.02797
0
null
-0.084208
5,031.992858
128.175354
[ [ 5.422850989486532, 3.142460851224049, 1.9457680662029169 ], [ 2.677382398031052, 5.3578189637759515, 5.857778903866352 ], [ 0.0680861934244282, 2.5243923587759514, 5.879691838470213 ], [ 2.8135547848799085, 0.30903424622404857, 1.9676810008067767 ], ...
[ [ 5.490937182910961, 0, 0.000719114673128864 ], [ -3.469946822432202e-16, 5.66685321, 3.469946822432202e-16 ], [ 0, 0, 7.82474079 ] ]
[ 63, 63, 63, 63, 12, 12, 77, 77, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8 ]
[ 1, 1, 1 ]
mp-1188494
P2_1/c
Eu-Ir-Mg-O
0
0
null
null
4,463.48977
150.781738
[ [ 3.87344325, 0.8801392344686608, 1.4103841462247213 ], [ 1.2911477499999997, 4.750301498323857, 3.5974380594265867 ], [ 0.024686744979999776, 3.6794536057947806, 0.2621156003880902 ], [ 2.6069822449799998, 1.9509871269977368, 4.745706605263218 ], [ ...
[ [ 5.164591, 0, 3.162399918527614e-16 ], [ -3.4476506106016174e-16, 5.6304407327925174, -1.3145508543486921 ], [ 0, 0, 6.32237306 ] ]
[ 19, 19, 3, 3, 3, 3, 1, 1, 1, 1, 1, 1, 8, 8, 8, 8, 8, 8 ]
[ 1, 1, 1 ]
mp-1188395
P2_1/m
H-K-Li-O
0
4.2639
null
-0.000002
3,602.858628
30.400557
[ [ 6.2561173122, 4.321779732315, 3.8315560000000004 ], [ 3.1199548122000005, 2.2244372676850004, 3.2724963270098155e-16 ], [ 0.03057131204999993, 1.149214579218, 1.905133937432 ], [ 0.03057131204999993, 1.149214579218, 5.757978062568 ], [ 3.16673381...
[ [ 6.272325, 0, 3.840691367230961e-16 ], [ -4.0084018477869946e-16, 6.546217, 4.0084018477869946e-16 ], [ 0, 0, 7.663112 ] ]
[ 12, 12, 29, 29, 29, 29, 32, 32, 16, 16, 16, 16, 16, 16, 16, 16 ]
[ 1, 1, 1 ]
mp-1189056
Pmn2_1
Cu-Ge-Mg-S
0.000261
0.7922
null
0.000026
1,331.451872
65.817101
[ [ 3.099794939715619, 0, 6.61451960160002 ], [ 0.9686593466842008, 0, 4.473363553202518 ], [ 2.045806679545417, 0, 1.7470988616926728 ], [ 1.5014922396377164, 2.501539, 6.934037862341106 ], [ 0.42748798977222097, 2.501539, 1.9741812483737642...
[ [ 3.1856109012523124, 0, -0.6898101921734857 ], [ -3.063501729292271e-16, 5.003078, 3.063501729292271e-16 ], [ 0, 0, 7.70063637 ] ]
[ 3, 3, 3, 3, 12, 12 ]
[ 1, 1, 1 ]
alex<agm003203869>
Cmmm
Li-Mg
0.037422
null
null
0.000054
1,845.049362
62.728664
[ [ 3.852446573874226, 4.775884594230267, 10.829896019255212 ], [ 3.4452575207451224, 1.1635609656584285, 5.324378138932867 ], [ 0.4081087782095487, 3.6134638133241506, 5.324378138932867 ], [ 1.9088013456792372, 2.3663442867963567, 8.57022867663323 ], [ ...
[ [ 4.964285243234188, 0, 2.283830052260672 ], [ -1.050561496659847, 4.8518500098342425, 2.283830052260672 ], [ 0, 0, 6.52555748 ] ]
[ 12, 29, 29, 32, 16, 16, 16, 16 ]
[ 1, 1, 1 ]
mp-2227086
Cm
Cu-Ge-Mg-S
0
0.673
null
0
1,331.451872
65.034843
[ [ 1.953521623207385, 2.4235828693693806, 4.239449283634086 ], [ 1.5033757125905034, -1.2117914346846905, 3.262561835 ], [ 3.4568973357978887, 1.2117914346846907, 0.976887448634085 ], [ 0, 0, 0 ], [ 4.556207651675421, -0.5012926204372707, -0...
[ [ 1.0532298019736221, -4.847165738738761, 2.285674386365915 ], [ 4.960273048388393, 0, -2.285674386365915 ], [ -1.0532298019736221, 4.847165738738761, 4.239449283634086 ] ]
[ 12, 29, 29, 32, 16, 16, 16, 16 ]
[ 1, 1, 1 ]
mp-2222834
I-42m
Cu-Ge-Mg-S
0.024626
0.6525
null
-0.000005
1,331.451872
65.205208
[ [ -3.201977349129979, -2.083566600136269, -5.097470613429764 ], [ 0, 0, 0 ], [ -1.570466657998519, -1.0219222431796515, -2.6187796881015837 ], [ -4.8334880402614395, -3.1452109570928863, -7.576161538757946 ], [ -2.738491952726728, -1.2110925885...
[ [ -1.8461745735784945, -4.167133200272538, -1.986062463429765 ], [ -4.5577801246814635, 0, -1.986062463429765 ], [ 0, 0, -6.2228163 ] ]
[ 3, 57, 6, 6, 8, 8, 8, 8, 8, 8 ]
[ 1, 1, 1 ]
alex<agm004945081>
R-3
C-La-Li-O
0.052737
null
null
0.00002
1,955.012823
53.817024
[ [ 0, 0, -4.435266 ], [ -1.362007145, 0.7863551918039439, -6.652899000000001 ], [ 0, 0, 0 ], [ -1.3620071450000002, -0.786355191803944, -2.217633 ] ]
[ [ -1.3620071450000002, -2.3590655754118313, -3.33595538108015e-16 ], [ -1.3620071449999998, 2.3590655754118313, 1.667977690540075e-16 ], [ 0, 0, -8.870532 ] ]
[ 45, 45, 45, 45 ]
[ 1, 1, 1 ]
mp-1186916
P6_3/mmc
Rh
0.039917
0
null
0.000222
8,000
250.956863
[ [ -1.36548952, 0.788365741947613, -3.32136675 ], [ -1.3654895200000001, -0.7883657419476131, -1.1071222500000002 ] ]
[ [ -1.3654895200000001, -2.3650972258428387, -3.3444847398745115e-16 ], [ -1.3654895199999997, 2.3650972258428387, 1.6722423699372557e-16 ], [ 0, 0, -4.428489 ] ]
[ 45, 45 ]
[ 1, 1, 1 ]
mp-2646993
P6_3/mmc
Rh
0.059015
0
null
-0
8,000
250.419022
[ [ 0, 0, 0 ] ]
[ [ 0.7846323930344384, 2.219275543413119, 1.3590231700000002 ], [ 0.7846323930344384, 2.219275543413119, -1.3590231699999997 ], [ -1.5692647860688766, 2.219275543413119, 0 ] ]
[ 45 ]
[ 1, 1, 1 ]
mp-74
Fm-3m
Rh
0
0
253.456719
-0.000456
8,000
252.758163
[ [ 0, 0, 0 ], [ -2.3002132767634763e-16, 3.258186754410283, 2.220446049250313e-16 ], [ 1.1102230246251565e-16, 9.774560263230846, 3.3306690738754696e-16 ], [ 3.410436301388633e-16, 6.516373508820564, -5.17397052424151e-16 ] ]
[ [ 1.5359239656104662, 4.344249005880377, 2.6602983450000006 ], [ 1.5359239656104662, 4.344249005880377, -2.6602983449999997 ], [ -3.071847931220932, 4.344249005880377, 0 ] ]
[ 38, 48, 48, 48 ]
[ 1, 1, 1 ]
mp-1187152
Fm-3m
Cd-Sr
0.051308
0
null
0.000005
1,650.601267
39.44733
[ [ 0, 0, 0 ], [ -1.4906890299931032e-16, 2.434479935, 2.434479935 ], [ 2.434479935, 2.434479935, 2.9813780599862065e-16 ], [ 2.434479935, 0, 2.434479935 ] ]
[ [ 4.86895987, 0, 2.9813780599862065e-16 ], [ -2.9813780599862065e-16, 4.86895987, 2.9813780599862065e-16 ], [ 0, 0, 4.86895987 ] ]
[ 38, 48, 48, 48 ]
[ 1, 1, 1 ]
alex<agm001830319>
Pm-3m
Cd-Sr
0.085994
null
null
0.000001
1,650.601267
34.443722
[ [ 1.7596186924966026, -1.3919851943512476, 2.410989079999999 ], [ 1.245688707503398, 1.3919851943512482, 2.41098908 ], [ 0, 0, 0 ] ]
[ [ 3.0053074, 0, 1.840220043931927e-16 ], [ -2.557035319084143e-16, 4.175955583053744, 2.4109890800000007 ], [ 2.557035319084143e-16, -4.175955583053744, 2.410989079999999 ] ]
[ 3, 3, 12 ]
[ 1, 1, 1 ]
alex<agm003161408>
P-3m1
Li-Mg
0.031701
null
null
-0.000062
1,845.049362
22.465712
[ [ 1.32108303, 2.036851234145859, 3.5279298250000006 ], [ 3.9632490900000006, -2.0368512341458587, 3.527929825 ], [ 3.96324909, 0.9274030739120791, 5.449550406888724 ], [ 3.9632490899999997, 4.255747554613419, 3.527929825000001 ], [ 3.96324909, ...
[ [ 5.28433212, 0, 3.2357202081947737e-16 ], [ -3.7416350163540944e-16, 6.110553702437579, 3.5279298250000015 ], [ 3.7416350163540944e-16, -6.110553702437579, 3.527929824999999 ] ]
[ 38, 38, 48, 48, 48, 48, 48, 48 ]
[ 1, 1, 1 ]
alex<agm002243823>
P6_3/mmc
Cd-Sr
0.023099
null
null
-0
1,650.601267
34.768837
[ [ 1.9193401149999998, 2.5446885, 2.733429177330971e-16 ], [ 0, 0, 4.535576892973398 ], [ -1.5581723131760397e-16, 2.5446885, 3.030016525 ], [ 0, 0, 1.5244561570266026 ] ]
[ [ 3.83868023, 0, 2.3505137283098626e-16 ], [ -3.1163446263520793e-16, 5.089377, 3.1163446263520793e-16 ], [ 0, 0, 6.06003305 ] ]
[ 38, 48, 48, 48 ]
[ 1, 1, 1 ]
alex<agm003163499>
Pmmm
Cd-Sr
0.086123
null
null
-0.000034
1,650.601267
35.886581
[ [ 0, 0, 0 ], [ 0, 0, -5.509166085 ], [ -3.447981925, -1.9906932925597136, -2.7545830425000006 ], [ -3.4479819250000006, 1.9906932925597136, -8.2637491275 ], [ -5.1719728875, -2.9860399388395704, -6.333840041953769e-16 ], [ -5.171972...
[ [ -3.447981925000001, -5.972079877679143, -8.445120055938359e-16 ], [ -3.4479819249999992, 5.972079877679143, 4.2225600279691794e-16 ], [ 0, 0, -11.01833217 ] ]
[ 38, 38, 38, 38, 48, 48, 48, 48, 48, 48, 48, 48, 48, 48, 48, 48 ]
[ 1, 1, 1 ]
alex<agm003218199>
P6_3/mmc
Cd-Sr
0.072241
null
null
0.000174
1,650.601267
33.326885
[ [ 0, 0, 6.2157149162055365 ], [ 2.498995965, 3.33215059, 0.6907382037944644 ], [ -1.0087801252941078e-16, 1.6474629680924489, 2.50456824572976 ], [ -3.0719274290263566e-16, 5.016838211907551, 2.5045682457297604 ], [ -2.0403537771602323e-16, 3.3...
[ [ 4.99799193, 0, 3.060387409619401e-16 ], [ -4.0807075543204645e-16, 6.66430118, 4.0807075543204645e-16 ], [ 0, 0, 6.90645312 ] ]
[ 38, 38, 48, 48, 48, 48, 48, 48 ]
[ 1, 1, 1 ]
alex<agm002189423>
Pmmn
Cd-Sr
0.019496
null
null
-0.000049
1,650.601267
34.649002
[ [ -2.7162227994852495e-16, 4.4359284675, 5.357697771849256 ], [ -9.054075998284165e-17, 1.4786428225, 2.5450406281507436 ], [ -9.054075998284165e-17, 1.4786428225, 6.85898383068308 ], [ -2.7162227994852495e-16, 4.4359284675, 1.0437545693169201 ], [ ...
[ [ 4.77722753, 0, 2.9252082017065583e-16 ], [ -3.621630399313666e-16, 5.91457129, 3.621630399313666e-16 ], [ 0, 0, 7.9027384 ] ]
[ 38, 38, 48, 48, 48, 48, 48, 48 ]
[ 1, 1, 1 ]
alex<agm003296881>
Pmma
Cd-Sr
0.030075
null
null
-0.000023
1,650.601267
33.408943
[ [ -9.977051971575388, -5.023214172766638, 1.3111268930028828 ], [ -3.4530009639253283, -2.007668762896175, 0.7450281865062944 ], [ -7.2910413848090405, -2.007668762896175, 2.4214853570534705 ], [ -6.139011550691675, -5.023214172766638, -0.36533027754429326...
[ [ -5.372021174783588, 0, -2.220716928279468 ], [ -2.686010585933538, -7.030882935662813, -1.110358463931886 ], [ -5.372021174783588, 0, 5.387230471720532 ] ]
[ 38, 38, 38, 38, 48, 48, 48, 48 ]
[ 1, 1, 1 ]
alex<agm004454451>
I4/mmm
Cd-Sr
0.094468
null
null
-0
2,044.654579
26.592419
[ [ -1.0387603528204237, -3.358849061096545, -3.3849291819318093 ], [ -2.7872756620567314, 3.3588490610965445, -2.261813603805468 ], [ -3.1661753439320606, -0.4993796806173873, -3.496505116515085 ], [ -0.6598606709450933, 0.49937968061738697, -2.150237669222...
[ [ -3.8260360148771544, 0, 1.1741263442627232 ], [ -0.7502127049492257, 5.177860424101927, -2.444660953209886 ], [ 0.7502127049492257, -5.177860424101927, -4.376208176790114 ] ]
[ 38, 38, 48, 48 ]
[ 1, 1, 1 ]
alex<agm003187373>
Imma
Cd-Sr
0.080902
null
null
-0.000013
2,044.654579
21.04595
[ [ 2.0056167021493954, -4.503258337743321, -0.26491201744748866 ], [ -1.4013711223943148, -0.9725549219132635, -4.413480164595955 ], [ -0.36118089646430995, -1.99374207461325, -1.1375036190823287 ], [ 0.9654264762193902, -3.482071185043335, -3.5408885629611...
[ [ 3.796684179796443, 0, -1.2055256575101987 ], [ 0.6042455797550799, -5.475813259656585, 1.903011867956556 ], [ -3.796684179796443, 0, -5.375878392489801 ] ]
[ 38, 38, 48, 48 ]
[ 1, 1, 1 ]
alex<agm003187365>
C2/m
Cd-Sr
0.074456
null
null
0.000002
2,044.654579
28.115082
[ [ 3.808050270791621, -0.1629527672474562, 1.4233587052820509 ], [ 3.346173418861589, -4.0159927570199, 3.8106552588692884 ], [ 0.32549562604001914, 5.272214797045369, 4.224517987543474 ], [ 0, 0, 0 ], [ -0.13638122589001356, 1.419174807272925, ...
[ [ 1.6453185348430892, -7.706079979544888, 3.600656625074828 ], [ 7.879767872992247, 0, -3.600656625074828 ], [ -1.6453185348430892, 7.706079979544888, 6.821813174925172 ] ]
[ 38, 38, 38, 38, 38, 38, 38, 38, 38, 38, 48, 48, 48, 48, 48, 48 ]
[ 1, 1, 1 ]
mp-542484
I4/mcm
Cd-Sr
0.00311
0
null
0.000672
2,260.580809
26.326529
[ [ -2.148635188687453, 1.2415165129925156, -1.7498629665545327 ], [ -0.83106054641285, -1.2415165129925165, -2.7711028618551152 ], [ 0, 0, 0 ] ]
[ [ -2.979695735100303, 0, 0.8936180615903516 ], [ -0.46340196272542833, 3.759076620142794, -1.5451756307529159 ], [ 0.46340196272542833, -3.759076620142794, -3.869408259247084 ] ]
[ 3, 3, 12 ]
[ 1, 1, 1 ]
alex<agm003203865>
Immm
Li-Mg
0.034518
null
null
0
1,845.049362
22.486115
[ [ 0, 0, 4.039169473651543 ], [ 2.041956965, 2.041956965, 11.360613692417582 ], [ 2.041956965, 2.041956965, 7.3529994875824185 ], [ 0, 0, 14.674443706348455 ], [ 0, 0, 0 ], [ 2.041956965, 2.041956965, 2.0897177449404576 ], ...
[ [ 4.08391393, 0, 2.500676061183894e-16 ], [ -2.500676061183894e-16, 4.08391393, 2.500676061183894e-16 ], [ 0, 0, 18.71361318 ] ]
[ 38, 38, 38, 38, 38, 48, 48, 48 ]
[ 1, 1, 1 ]
alex<agm003290676>
P4/mmm
Cd-Sr
0
null
null
0.000403
2,260.580809
20.529383
[ [ 0, 0, 0 ], [ -2.191534620918092e-16, 3.5790476445027637, -0.9019962625807121 ], [ 0, 0, 3.69095913 ], [ 2.8717661949999997, 5.092875780336181, 3.9686092085287052 ], [ 2.871766195, 2.065219508669346, 1.609316526309871 ], [ -2.19153...
[ [ 5.74353239, 0, 3.516899278606324e-16 ], [ -4.383069241836184e-16, 7.158095289005527, -1.8039925251614242 ], [ 0, 0, 7.38191826 ] ]
[ 38, 38, 38, 38, 38, 48, 48, 48 ]
[ 1, 1, 1 ]
alex<agm003261292>
Cmmm
Cd-Sr
0.072396
null
null
0.00029
2,260.580809
24.194204
[ [ 3.9148668044255035, 4.707142304720178, 3.9116801708814983 ], [ 3.0318852953230935, 1.207742605076694, 5.943563328999727 ], [ 5.300929480302673, 3.604554523569853, 7.182336641467238 ], [ 1.6458226194459236, 2.3103303862270193, 2.6729068584139872 ], [ ...
[ [ 4.722851376451812, 0, 2.0523770863150905 ], [ 2.2239007232967847, 5.914884909796872, 1.3426557135661343 ], [ 0, 0, 6.4602107 ] ]
[ 38, 38, 48, 48, 48, 48 ]
[ 1, 1, 1 ]
mp-677
Imma
Cd-Sr
0
0
null
-0
1,776.741283
33.466049
[ [ 0, 0, 0 ], [ 2.6995266275734258, -1.1771444053281113, 1.9259861625415071 ], [ 1.0597451074820505, 1.177144405328112, 3.2754670852769627 ] ]
[ [ 0.3935138876042027, -3.7386188356463457, 1.2162753121815297 ], [ 3.7592717350554765, 0, -1.2162753121815297 ], [ -0.3935138876042027, 3.7386188356463457, 5.20145324781847 ] ]
[ 38, 48, 48 ]
[ 1, 1, 1 ]
alex<agm001851431>
I4/mmm
Cd-Sr
0.094347
null
null
0
1,776.741283
33.843552
[ [ 0, 0, 0 ], [ 2.104284525, -1.4615936749299598, 2.5315545049999995 ], [ 2.104284525, 1.4615936749299598, 2.531554505 ] ]
[ [ 4.20856905, 0, 2.5770053080365587e-16 ], [ -2.684904023485489e-16, 4.38478102478988, 2.531554505000001 ], [ 2.684904023485489e-16, -4.38478102478988, 2.531554504999999 ] ]
[ 38, 48, 48 ]
[ 1, 1, 1 ]
alex<agm003295488>
P6/mmm
Cd-Sr
0.015763
null
null
0.000034
1,776.741283
40.861366
[ [ 0, 0, 0 ], [ 1.218184780302514, -1.1387898869218325, 4.69597307 ], [ 2.7813850499319064, -1.9085102704230779, 1.3299980087545942 ], [ 3.0023083633475514, 0.7697203835012454, 2.1816341279234166 ], [ 1.784123583045037, 1.9085102704230776, 6...
[ [ 0.30723048823311355, -4.55515954768733, 1.1843409333219896 ], [ 4.565508632976943, 0, -1.1843409333219896 ], [ -0.30723048823311355, 4.55515954768733, 8.20760520667801 ] ]
[ 38, 38, 48, 48, 48, 48 ]
[ 1, 1, 1 ]
alex<agm003201509>
I4_1/amd
Cd-Sr
0.066048
null
null
0.000109
1,776.741283
35.262741
[ [ -3.1001195349999997, 1.7898548480522671, -0.5959404449084236 ], [ -3.1001195349999997, 1.7898548480522671, -4.555928175091576 ], [ -3.100119535, -1.7898548480522674, -9.707796795091577 ], [ -3.100119535, -1.7898548480522674, -5.747809064908424 ], [ ...
[ [ -3.100119535000001, -5.369564544156803, -7.593102931023863e-16 ], [ -3.1001195349999993, 5.369564544156803, 3.7965514655119313e-16 ], [ 0, 0, -10.30373724 ] ]
[ 38, 38, 38, 38, 48, 48, 48, 48, 48, 48, 48, 48 ]
[ 1, 1, 1 ]
alex<agm002189414>
P6_3/mmc
Cd-Sr
0.046842
null
null
0
1,776.741283
44.833019
[ [ 2.5229158005259165, 1.3546025902930523, 0.6620628226224855 ], [ 1.746389748561242, 4.110485525684773, 5.7891285849273455 ], [ 1.1206627236399282, 1.3889001170369002, 3.7148984438476274 ], [ 3.830189015081113, 1.379008252896099, 4.995558657139838 ], [...
[ [ 4.258820804849618, 0, -1.2847461889489267 ], [ 0.010484744237540313, 5.465088115977825, 0.03475600649875784 ], [ 0, 0, 7.70118159 ] ]
[ 38, 38, 48, 48, 48, 48 ]
[ 1, 1, 1 ]
alex<agm005422556>
Cmcm
Cd-Sr
0.092444
null
null
-0.000053
1,776.741283
30.905499
[ [ -5.6690792363783595, -5.110690577232098, -6.364708877103183 ], [ -2.866346669441571, -2.584019433101808, -3.218064403612849 ], [ -6.77679319662502, -2.7391353224168276, -3.844895117013068 ], [ -3.424668039778742, -6.457510136395661, -3.8448951170130674 ...
[ [ -0.7993117977455166, -7.694710010333906, -0.8973920953580161 ], [ -7.736114108074414, 0, -0.8973920953580161 ], [ 0, 0, -7.78798909 ] ]
[ 38, 38, 48, 48, 48, 48, 48, 48, 48, 48, 48, 48, 48, 48, 48, 48, 48, 48, 48 ]
[ 1, 1, 1 ]
alex<agm003286406>
R-3m
Cd-Sr
0.003525
null
null
0
1,442.7975
39.661133
[ [ 2.125277692111289e-8, 0.3477694972301153, 5.703487743396543 ], [ 2.1155310008551984, 7.173663974746093, 1.7021506383965441 ], [ 1.2144372548698103e-9, 4.333215007138986, 4.216940592041521 ], [ 2.1155310208935383, 3.188218464837221, 0.21560348704152069 ...
[ [ 4.23106204, 0, 2.5907782921399355e-16 ], [ -2.115531017892025, 7.521433471976208, 4.784257643294692e-16 ], [ 0, 0, 8.00267421 ] ]
[ 38, 38, 38, 38, 48, 48 ]
[ 1, 1, 1 ]
alex<agm003200246>
Cmc2_1
Cd-Sr
0.041627
null
null
-0.000024
2,335.657794
19.88229
[ [ -3.1144741962024984e-10, 4.306583950735911, 0.9474107009530879 ], [ 1.6166129995999134, 5.532250256647952, -1.4104457906086973 ], [ 1.616612999865658, 1.8576318109603476, 1.9969646503324832 ], [ -4.3284903290135666e-11, 0.598528176738872, 4.3664475327179...
[ [ 3.233226, 0, 1.97977993591e-16 ], [ -1.6166130004003563, 5.535981508184468, -1.4405310980826351 ], [ 0, 0, 7.44423153 ] ]
[ 3, 12, 12, 12, 12, 12 ]
[ 1, 1, 1 ]
mp-1094609
Cm
Li-Mg
0.030882
0
null
-0.000405
699.910482
35.216949
[ [ 4.0726708378893415, 5.183415425406038, 10.265069245415578 ], [ 5.205283892745301, 5.621435164562178, 5.946693634449729 ], [ 0.7160890484519558, 1.3991706536572204, 5.867449334637294 ], [ 1.8487021033079145, 1.8371903928133615, 1.5490737236714445 ], [...
[ [ 4.219707192113064, 0, 1.1067345641864863 ], [ 1.7016657490841927, 7.020605818219399, 2.109687324900537 ], [ 0, 0, 8.59772108 ] ]
[ 38, 38, 38, 38, 48, 48 ]
[ 1, 1, 1 ]
alex<agm003200241>
C2/m
Cd-Sr
0.021483
null
null
-0
2,335.657794
16.976398
[ [ -2.999603907678955, -3.711911218876599, -0.536180247841926 ], [ -3.6613686207234255, 3.7119112188765975, 2.492866262613976 ], [ -2.8244447541924216, 0.9531932729792651, -0.7701940659188542 ], [ -3.8365277742099595, -0.9531932729792659, 2.7268800806909037...
[ [ -2.9291557853042938, -5.5174358917946655, -3.029046510455901 ], [ 0, 0, 6.94241854 ], [ -3.7318167430980878, 5.5174358917946655, -1.9566860147720497 ] ]
[ 38, 38, 38, 38, 48, 48 ]
[ 1, 1, 1 ]
alex<agm003201635>
I4/mcm
Cd-Sr
0.012281
null
null
0.000002
2,335.657794
15.722191
[ [ 2.659136422918027, -1.4442799050496615, 1.775586059608092 ], [ 1.33265519299824, 1.444279905049662, 4.703878166301146 ], [ 0, 0, 0 ] ]
[ [ 0.3203991165689416, -3.9789125035619017, 1.1309140140907625 ], [ 3.9917916159162665, 0, -1.1309140140907625 ], [ -0.3203991165689416, 3.9789125035619017, 6.479464225909238 ] ]
[ 38, 38, 48 ]
[ 1, 1, 1 ]
alex<agm002189301>
I4/mmm
Cd-Sr
0.003008
null
null
-0.000011
2,335.657794
17.545809
[ [ -1.7638340146662872, -0.7662465524577688, -13.309261679883596 ], [ -2.280703102299407, 0.7662465524577691, -1.6820501677593718 ], [ -1.2521983458777184, -0.2454026503373861, -9.44864171811342 ], [ -2.7923387710879757, 0.24540265033738654, -5.542670129529...
[ [ -4.044537116965694, 0, 0.5360096023570325 ], [ -0.07107367817463785, 4.044976393637332, -0.5362966039274826 ], [ 0.07107367817463785, -4.044976393637332, -14.991024846072518 ] ]
[ 38, 38, 38, 38, 48, 48 ]
[ 1, 1, 1 ]
alex<agm003200242>
I4_1/amd
Cd-Sr
0.051692
null
null
0.000193
2,335.657794
19.65373
[ [ -4.616163277226096, -1.1583362118952911, -0.5090871485935266 ], [ -8.726842413816557, -1.3854990006626564, -1.9291160358136772 ], [ -12.252012144228196, -2.671310695888193, -0.14303617257357693 ], [ -8.37704386778937, -2.671310695888193, 2.00719486508478...
[ [ -7.490775785962457, 0, -4.156653020632928 ], [ -3.7265412215770057, -7.629210313458936, -2.112290419909266 ], [ -7.490775785962457, 0, 4.671301329367073 ] ]
[ 38, 38, 38, 38, 38, 38, 38, 38, 48, 48 ]
[ 1, 1, 1 ]
alex<agm003297887>
C2/m
Cd-Sr
0.086662
null
null
-0.000001
2,587.162637
14.302975
[ [ 0.7316410505047857, 3.228937975, 3.153254006150834 ], [ 1.5460003410946757, 0, 6.663010281357801 ], [ 2.1880573775527776, 3.228937975, -0.5076890713534863 ], [ 2.83011441401088, 0, 2.2594722959352262 ], [ 3.6444737046007694, 3.228937975, ...
[ [ 4.376114755105555, 0, -1.015378142706973 ], [ -3.9543085557290865e-16, 6.45787595, 3.9543085557290865e-16 ], [ 0, 0, 9.93786072 ] ]
[ 38, 38, 38, 38, 38, 48 ]
[ 1, 1, 1 ]
alex<agm001192870>
Cmmm
Cd-Sr
0.088522
null
null
0
2,652.870333
11.786353
[ [ 2.56252416, 0, 5.96154159 ], [ 1.5806658487456778e-16, -2.5814232313287375, 4.4711561925 ], [ 2.56252416, 1.720948820885825, 2.9807707950000006 ], [ 0, 0, 2.980770795 ], [ 2.56252416, -1.7209488208858255, 2.980770795 ], [ -1.58066...
[ [ 5.12504832, 0, 3.1381870102817604e-16 ], [ -3.1613316974913557e-16, 5.162846462657475, 2.980770795000001 ], [ 3.1613316974913557e-16, -5.162846462657475, 2.9807707949999993 ] ]
[ 38, 48, 48, 48, 48, 48 ]
[ 1, 1, 1 ]
alex<agm002243824>
P6/mmm
Cd-Sr
0.020673
null
null
-0
1,529.274637
39.052711
[ [ 0, 0, 0 ], [ -2.739727243930113e-10, 3.238118442403626, 1.5491028490227958 ], [ 0, 0, 3.420735385 ], [ 2.568810409893241, 1.2617983613798929, 4.867321750714832 ], [ 2.56881040985546, 1.7083455354416206, 1.7042072635569623 ], [ -2....
[ [ 5.13762082, 0, 3.1458854462229e-16 ], [ -2.568810410380732, 4.499916803783519, -0.42504617026237185 ], [ 0, 0, 6.84147077 ] ]
[ 38, 48, 48, 48, 48, 48 ]
[ 1, 1, 1 ]
alex<agm003196700>
C2/m
Cd-Sr
0.035721
null
null
0
1,529.274637
36.026123
[ [ 0.5999223643874291, 2.49183247, 1.8579849446322736 ], [ 4.188056356034781, 0, 5.579576789235732 ], [ 1.3347048322442616, 0, 4.133637426032258 ], [ 2.7627330035667694, 0, 1.1652899609260243 ], [ 1.9895436899437067, 2.49183247, 6.1617012285...
[ [ 4.322315916930686, 0, -1.3956269598290336 ], [ -3.051614658396943e-16, 4.98366494, 3.051614658396943e-16 ], [ 0, 0, 7.39101138 ] ]
[ 38, 48, 48, 48, 48, 48 ]
[ 1, 1, 1 ]
alex<agm003196698>
Cmmm
Cd-Sr
0.086196
null
null
-0.000086
1,529.274637
35.971539
[ [ 2.079919005, 2.079919005, 8.288532798136654 ], [ 0, 0, 5.10685468 ], [ 2.079919005, 2.079919005, 1.9251765618633456 ], [ 0, 0, 0 ] ]
[ [ 4.15983801, 0, 2.5471661519589975e-16 ], [ -2.5471661519589975e-16, 4.15983801, 2.5471661519589975e-16 ], [ 0, 0, 10.21370936 ] ]
[ 38, 38, 38, 48 ]
[ 1, 1, 1 ]
alex<agm003190543>
P4/mmm
Cd-Sr
0.002632
null
null
0.000002
2,490.771469
15.721137
[ [ 0, 0, -5.90793494 ], [ -2.1378021600000006, 1.2342606525501634, -2.3803444436335175 ], [ -2.1378021600000006, 1.2342606525501634, -9.435525436366481 ], [ 0, 0, 0 ] ]
[ [ -2.1378021600000006, -3.702781957650491, -5.236105144908596e-16 ], [ -2.1378021599999997, 3.702781957650491, 2.618052572454298e-16 ], [ 0, 0, -11.81586988 ] ]
[ 38, 38, 38, 48 ]
[ 1, 1, 1 ]
alex<agm003163496>
P-6m2
Cd-Sr
0.090037
null
null
0.000184
2,490.771469
14.827581
[ [ -0.46238466649175863, -0.2734345084794972, -13.688085882598806 ], [ -8.326196688776724, -4.923756482612201, -4.68670678978764 ], [ -1.3210942761751454, -0.7812386314663099, -9.186347753778044 ], [ -7.467487079093337, -4.415952359625388, -9.18844491860840...
[ [ -2.8575924833521475, -5.197190991091698, -1.1313401611932234 ], [ -5.930988871916335, 0, -1.1313401611932234 ], [ 0, 0, -16.11211235 ] ]
[ 38, 38, 38, 38, 48, 48, 48, 48, 48, 48, 48, 48, 48, 48, 48, 48, 48, 48 ]
[ 1, 1, 1 ]
alex<agm003288929>
R-3m
Cd-Sr
0.041437
null
null
0
1,609.638017
35.694092
[ [ 5.4297675675, 2.5127455573690556, 8.93589535604794 ], [ 5.429767567500002, -2.5127455573690556, 8.93589535604794 ], [ 5.429767567500001, 3.030094276844103e-17, 2.901468647904121 ], [ 1.8099225224999997, 6.4823396052123785, 6.644049163952061 ], [ ...
[ [ 7.23969009, 0, 4.4330316477686566e-16 ], [ -5.507901126206602e-16, 8.995085162581436, 5.193314840000002 ], [ 5.507901126206602e-16, -8.995085162581436, 5.193314839999998 ] ]
[ 38, 38, 38, 38, 38, 38, 38, 38, 38, 38, 48, 48, 48, 48, 48, 48, 48, 48 ]
[ 1, 1, 1 ]
alex<agm003221853>
P6_3/mcm
Cd-Sr
0.065602
null
null
0.002703
2,138.946813
27.42441
[ [ -3.516613910530546, 0, 1.8129875234995148 ], [ -7.189747925500482, 0, 4.121360822666726 ], [ -6.227499845017835, -2.9020554492062143, 1.075847826828484 ], [ -8.029771377731755, -2.7882212791240573, 6.780033141632579 ], [ -4.478861992488014, -...
[ [ -5.353180918015514, 0, -1.6913695919168787 ], [ -2.676590461265222, -8.884188244717588, -0.8456847975264419 ], [ -5.353180918015514, 0, 7.625717938083121 ] ]
[ 38, 38, 38, 38, 38, 38, 38, 38, 48 ]
[ 1, 1, 1 ]
alex<agm003266930>
I4/mmm
Cd-Sr
0.064569
null
null
-0.000004
2,765.053463
11.446568
[ [ 5.806866455014835, -3.656515801794321, -3.664733068825287 ], [ -0.1266191388727937, -0.6553555486457816, -8.229161831840733 ], [ -1.0541158125465293, -5.949603049742036, -4.45274707411575 ], [ 2.962740700498292, -6.986011001578272, -4.672741621629321 ]...
[ [ 7.0746432676478905, 0, -2.8340859782865992 ], [ 0.4340905606169673, -8.623742700880205, 1.0836071614436262 ], [ -7.0746432676478905, 0, -7.4130662117134 ] ]
[ 38, 38, 38, 38, 38, 38, 38, 38, 38, 38, 48, 48, 48, 48 ]
[ 1, 1, 1 ]
alex<agm003288304>
C2/c
Cd-Sr
0.017709
null
null
0.001467
2,423.465506
16.083405
[ [ 0, 0, 0 ], [ 3.1561294996077156, 1.0855933155621966, 2.1960855542667814 ], [ 1.2130131630563603, -1.0855933155621966, 3.6486359450000005 ], [ 2.850715620296414, -1.696650083534145, 1.277427780996246 ], [ 1.5184270423676611, 1.696650083534145,...
[ [ 0.4829099895613658, -4.3423732622487865, 1.4525503907332191 ], [ 4.369142662664076, 0, -1.4525503907332191 ], [ -0.4829099895613658, 4.3423732622487865, 5.844721499266781 ] ]
[ 38, 48, 48, 48, 48 ]
[ 1, 1, 1 ]
alex<agm003298441>
I4/mmm
Cd-Sr
0
null
null
-0.000073
1,577.245451
34.235394
[ [ 6.493015, -2.7116921538765135, 4.696788585 ], [ 6.493015, 2.7116921538765113, 4.696788585 ], [ 3.2465074999999994, 2.7116921538765113, 4.696788585000001 ], [ 3.2465075000000003, -2.7116921538765135, 4.696788585 ], [ 1.6232537500000002, -6.130...
[ [ 6.493015, 0, 3.975825018282876e-16 ], [ -4.981297674776794e-16, 8.135076461629536, 4.696788585000002 ], [ 4.981297674776794e-16, -8.135076461629536, 4.696788584999998 ] ]
[ 62, 62, 62, 62, 62, 62, 62, 62, 62, 62, 83, 83, 83, 83, 83, 83 ]
[ 1, 1, 1 ]
mp-1188575
P6_3/mcm
Bi-Sm
0
0
null
0.00247
4,418.688003
51.426537
[ [ -1.5848277349999997, 0.9150007194214357, 6.771280208100643e-32 ], [ 0, 0, -12.827610107385 ], [ -1.5848277349999997, 0.9150007194214357, -10.234008340817999 ], [ 0, 0, -7.6720615 ], [ -1.5848277349999997, 0.9150007194214357, -5.1101146591...
[ [ -1.5848277350000004, -2.7450021582643047, -3.8817084257353993e-16 ], [ -1.5848277349999995, 2.7450021582643047, 1.9408542128676997e-16 ], [ 0, 0, -15.344123 ] ]
[ 3, 12, 12, 12, 12, 12 ]
[ 1, 1, 1 ]
mp-1094588
P-6m2
Li-Mg
0.046476
0
null
0.000006
699.910482
45.743053
[ [ 1.3384573355226292, 1.4229838219284907, 5.4120821812703666 ], [ 3.10532060066079, -1.4229838219284914, 3.022682143382658 ], [ 4.57967267772655, -2.217729290456472, -0.5494934276734879 ], [ 2.2218889680917093, -3.3400707340994657e-35, -0.5494934276734879 ...
[ [ 0.27178948308626333, -4.435458580912944, 1.0989868553469757 ], [ 4.443777936183419, 0, -1.0989868553469757 ], [ -0.27178948308626333, 4.435458580912944, 8.434764324653024 ] ]
[ 62, 62, 62, 62, 83, 83 ]
[ 1, 1, 1 ]
mp-1206229
I4/mmm
Bi-Sm
0.025388
0
null
0.001069
4,289.018412
60.472847
[ [ 2.220446049250313e-16, 5.583414733739755, 1.3943112264769296e-15 ], [ 0, 0, 0 ] ]
[ [ 1.3160234734680876, 3.722276489159836, 2.2794195200000003 ], [ 1.3160234734680876, 3.722276489159836, -2.2794195199999994 ], [ -2.6320469469361747, 3.722276489159836, 0 ] ]
[ 62, 83 ]
[ 1, 1, 1 ]
mp-22873
Fm-3m
Bi-Sm
0
0
null
0.000062
4,786.543344
59.003246
[ [ 2.5207372172594456, -2.4085627045605524, -6.514735579938362 ], [ -1.390584325221587, 2.4085627045605538, -5.131874586257645 ], [ 1.9556607723532318, 3.3873038193342775, -3.9644301466266683 ], [ -1.1301528920378578, 0, -7.897596573230871 ], [ -1.9...
[ [ -3.911321544706463, -6.774607638668553, -2.765721987892901 ], [ -3.9113215421052265, 6.774607638668553, -2.765721986053549 ], [ 7.82264308681169, 0, -2.765721986053549 ] ]
[ 62, 62, 62, 62, 62, 62, 62, 62, 83, 83, 83, 83, 83, 83 ]
[ 1, 1, 1 ]
mp-23283
I-43d
Bi-Sm
0.020598
0
null
0.003022
4,580.102007
66.589668
[ [ 0, 0, 0 ], [ 1.264200182836904, -1.0846684599384133, 3.242832445 ], [ 3.125465010919834, 1.0846684599384135, 1.5315458971416727 ], [ 1.86126482808293, 2.1693369198768266, 4.774378342141672 ] ]
[ [ 0.6671355375908786, -4.338673839753653, 1.7112865478583275 ], [ 4.389665193756738, 0, -1.7112865478583275 ], [ -0.6671355375908786, 4.338673839753653, 4.774378342141672 ] ]
[ 62, 83, 83, 83 ]
[ 1, 1, 1 ]
mp-972658
I4/mmm
Bi-Sm
0.051194
0
null
0.000016
5,439.028269
38.016563
[ [ 1.5186835, 1.9846646530103602, 3.4375400150000006 ], [ 4.556050500000001, -1.9846646530103607, 3.437540015 ], [ 4.556050500000001, 3.898901496143995, 3.4375400150000015 ], [ 4.556050500000001, 1.027546231443543, 5.095317750013856 ], [ 4.556050500...
[ [ 6.074734, 0, 3.719701774385799e-16 ], [ -3.645769822035045e-16, 5.953993959031081, 3.4375400150000015 ], [ 3.645769822035045e-16, -5.953993959031081, 3.437540014999999 ] ]
[ 62, 62, 83, 83, 83, 83, 83, 83 ]
[ 1, 1, 1 ]
mp-978744
P6_3/mmc
Bi-Sm
0.056252
0
null
-0
5,439.028269
52.752819
[ [ 3.3925452000000003, 2.3482264460890785, 6.942843270864396 ], [ 1.1308484, 1.4919929939109215, 1.497712595864395 ], [ 3.3925452, 6.188445886089077, 9.392548754135605 ], [ 1.1308483999999999, 5.332212433910922, 3.9474180791356055 ], [ 3.3925452, ...
[ [ 4.5233936, 0, 2.7697797467618116e-16 ], [ -4.702912445219441e-16, 7.68043888, 4.702912445219441e-16 ], [ 0, 0, 10.89026135 ] ]
[ 62, 62, 62, 62, 83, 83, 83, 83, 83, 83, 83, 83 ]
[ 1, 1, 1 ]
alex<agm003295697>
Pnma
Bi-Sm
0.048868
null
null
0.000034
5,232.750235
52.778793
[ [ 3.9386603147729518, 3.5472625275, 1.6285212680948786 ], [ 0.4430562153293243, 1.1824208425, 6.143321627508376 ], [ 1.097417380218268, 3.5472625275, 8.616247999460283 ], [ 3.2842991498840077, 1.1824208425, -0.8444051038570292 ], [ 2.49649881102244...
[ [ 4.381716530102276, 0, -1.1481122843967466 ], [ -2.8960958000254833e-16, 4.72968337, 2.8960958000254833e-16 ], [ 0, 0, 8.91995518 ] ]
[ 62, 62, 83, 83, 83, 83 ]
[ 1, 1, 1 ]
alex<agm002319870>
Cmcm
Bi-Sm
0.040186
null
null
-0
5,232.750235
52.351387
[ [ 0, 0, 0 ], [ 2.9794696195119648, 0, 1.7959001315605072 ], [ 1.5776386019407072, 0, 5.51055364837382 ], [ 2.278554110726336, 2.401473545, -0.6523364350328361 ], [ 0.7605693769658283, 2.401473545, 2.6566022244082417 ], [ 3.796538844...
[ [ 4.557108221452672, 0, -1.3046728700656725 ], [ -2.9409568901212973e-16, 4.80294709, 2.9409568901212973e-16 ], [ 0, 0, 8.61112665 ] ]
[ 62, 83, 83, 83, 83, 83 ]
[ 1, 1, 1 ]
alex<agm001194404>
Cmmm
Bi-Sm
0.074768
null
null
0.000025
5,635.189607
47.783852
[ [ 2.4194911245285837, 2.5623675, 4.210847507826733 ], [ 3.1110160806112015, 0, 7.819930841268492 ], [ 1.0342696579924502, 0, 5.397875162872789 ], [ 2.0772130890308356, 0, 2.4244912202446485 ], [ 0.34919092061541956, 2.5623675, 1.82243478083...
[ [ 3.1111094138936184, 0, -0.5961097603617198 ], [ -3.137995157114206e-16, 5.124735, 3.137995157114206e-16 ], [ 0, 0, 8.41652771 ] ]
[ 3, 12, 12, 12, 12, 12 ]
[ 1, 1, 1 ]
mp-1094599
Amm2
Li-Mg
0.001717
0
null
-0.000103
699.910482
35.867714
[ [ 3.9059107500000003, -1.9149109486316886, 3.316723055 ], [ 1.30197025, 1.9149109486316884, 3.316723055 ], [ 1.3019702500000003, -0.9331025943266196, 5.017265007951963 ], [ 1.3019702500000006, -0.9331025943266199, 1.6161811020480379 ], [ 1.30197025...
[ [ 5.207881, 0, 3.1889073984951586e-16 ], [ -3.5176343458410276e-16, 5.744732845895064, 3.316723055000001 ], [ 3.5176343458410276e-16, -5.744732845895064, 3.3167230549999993 ] ]
[ 69, 69, 40, 40, 40, 40, 40, 40 ]
[ 1, 1, 1 ]
mp-1187712
P6_3/mmc
Tm-Zr
0.017346
0
null
0.000003
2,790.840307
96.987984
[ [ 0, 0, 0 ], [ 2.9514220164016094, 1.0331807532962405, 0.9191954791003342 ], [ 1.2688341323507883, -1.0331807532962403, 2.81884235 ], [ 2.5376682647015762, -2.0663615065924805, 1.1541272447458303e-16 ] ]
[ [ 0.8550803806507554, -4.132723013184961, 1.8996468708996659 ], [ 4.220256148752398, 0, -1.8996468708996659 ], [ -0.8550803806507554, 4.132723013184961, 3.7380378291003344 ] ]
[ 69, 40, 40, 40 ]
[ 1, 1, 1 ]
alex<agm001281181>
I4/mmm
Tm-Zr
0.085043
null
null
0.000003
2,790.840307
101.144035
[ [ 0, 0, 0 ], [ -1.4119497333488229e-16, 2.305888905, 2.305888905 ], [ 2.305888905, 0, 2.305888905 ], [ 2.305888905, 2.305888905, 2.8238994666976457e-16 ] ]
[ [ 4.61177781, 0, 2.8238994666976457e-16 ], [ -2.8238994666976457e-16, 4.61177781, 2.8238994666976457e-16 ], [ 0, 0, 4.61177781 ] ]
[ 69, 40, 40, 40 ]
[ 1, 1, 1 ]
alex<agm001190939>
Pm-3m
Tm-Zr
0.084274
null
null
0.000312
2,790.840307
98.391983
[ [ -1.5951012098113094e-16, 2.604997965, 1.89912881166475 ], [ 0, 0, 5.72524677906723 ], [ 1.655338015, 0, 2.95188174797699 ], [ 1.6553380149999999, 2.604997965, 4.78782719085272 ] ]
[ [ 3.31067603, 0, 2.0272044015766836e-16 ], [ -3.190202419622619e-16, 5.20999593, 3.190202419622619e-16 ], [ 0, 0, 5.761531 ] ]
[ 69, 40, 40, 40 ]
[ 1, 1, 1 ]
alex<agm001829463>
Pmm2
Tm-Zr
0.02618
null
null
0.000035
2,790.840307
94.070412
[ [ 0.0004093275009959818, -0.00280830000504384, -6.187215254712584 ], [ -2.081147988818051, -2.1108821251723877, -1.3519198125871257 ], [ -1.2220600014045995, -2.5046941520303534, -4.4278868758702945 ], [ -0.8479289502439166, 0.428669647829317, -3.072298795...
[ [ -3.1742700552740697, 0, 0.876072170677167 ], [ -0.732813257059943, 5.0276599263181305, -2.655200399979859 ], [ 0.732813257059943, -5.0276599263181305, -3.533497970020141 ] ]
[ 69, 40, 40, 40 ]
[ 1, 1, 1 ]
alex<agm001283598>
Imm2
Tm-Zr
0.032645
null
null
0.000055
2,790.840307
92.808342
[ [ 0, 0, -2.6589605 ], [ -1.69269846, 0.9772799115378651, -5.758772844191518e-32 ] ]
[ [ -1.6926984600000003, -2.931839734613595, -4.145915501921308e-16 ], [ -1.6926984599999995, 2.931839734613595, 2.072957750960654e-16 ], [ 0, 0, -5.317921 ] ]
[ 69, 40 ]
[ 1, 1, 1 ]
mp-979011
P-6m2
Tm-Zr
0.060796
0
null
0.000233
2,924.675915
76.76899
[ [ -4.323755883500776, -2.5443464007605625, -4.866728599596017 ], [ -0.595273094390701, -0.3502928925664249, -7.102794616011655 ], [ -1.4434043478832546, -0.8493820549381732, -1.572774416957951 ], [ -3.4756246300082223, -2.0452572383888143, -10.396748798649...
[ [ -1.6078284472359214, -2.8946392933269873, -0.5114484928038369 ], [ -3.311200530655556, 0, -0.5114484928038369 ], [ 0, 0, -10.94662623 ] ]
[ 69, 69, 40, 40 ]
[ 1, 1, 1 ]
alex<agm003293837>
R-3m
Tm-Zr
0.071208
null
null
-0.000002
2,924.675915
36.1716
[ [ -1.6562429565217102e-16, 2.704850015, 1.946045310900822 ], [ 1.732260505, 0, 3.05572988987847 ], [ 1.7322605049999997, 2.704850015, 5.091844199165046 ], [ 0, 0, 0.0031426004890620003 ] ]
[ [ 3.46452101, 0, 2.1214072827376275e-16 ], [ -3.3124859130434203e-16, 5.40970003, 3.3124859130434203e-16 ], [ 0, 0, 6.0584922 ] ]
[ 69, 69, 69, 40 ]
[ 1, 1, 1 ]
alex<agm001829464>
Pmm2
Tm-Zr
0.040606
null
null
0.00054
3,023.729149
46.217514
[ [ 0.8632643199999998, 3.3970065864694026, 6.341612103273028 ], [ 0.8632643199999995, 6.678397876142612, 6.697496921951241 ], [ 0.8632643199999995, 7.375598805185349, 1.9989433209588041 ], [ 2.5897929599999996, 4.6598141357884355, 0.9698953349442639 ], ...
[ [ 3.45305728, 0, 2.1143877726122328e-16 ], [ -4.933379854408564e-16, 8.056820722257838, -0.823251221782708 ], [ 0, 0, 8.13475866 ] ]
[ 69, 69, 69, 69, 69, 69, 40, 40 ]
[ 1, 1, 1 ]
alex<agm003296870>
P2_1/m
Tm-Zr
0.042117
null
null
0.006441
3,023.729149
39.731247
[ [ -1.562293065, 0.9019903216308358, -2.491190023373999 ], [ 0, 0, -4.894300593584999 ], [ -1.562293065, 0.9019903216308358, -7.2998055 ], [ 0, 0, -9.705310406414998 ], [ -1.562293065, 0.9019903216308358, -12.108420976626 ], [ 0, ...
[ [ -1.5622930650000004, -2.7059709648925065, -3.8265144027647154e-16 ], [ -1.5622930649999995, 2.7059709648925065, 1.9132572013823577e-16 ], [ 0, 0, -14.599611 ] ]
[ 3, 3, 3, 3, 3, 12 ]
[ 1, 1, 1 ]
mp-1094590
P-6m2
Li-Mg
0.017991
0
null
0.000163
2,676.046433
17.827063
[ [ -1.4729787482597448e-16, 2.40555685, 2.40555685 ], [ 2.40555685, 0, 2.40555685 ], [ 2.40555685, 2.40555685, 2.9459574965194897e-16 ], [ 0, 0, 0 ] ]
[ [ 4.8111137, 0, 2.9459574965194897e-16 ], [ -2.9459574965194897e-16, 4.8111137, 2.9459574965194897e-16 ], [ 0, 0, 4.8111137 ] ]
[ 69, 69, 69, 40 ]
[ 1, 1, 1 ]
alex<agm001190938>
Pm-3m
Tm-Zr
0.079378
null
null
0.000015
3,023.729149
79.608505
[ [ 2.606073455, -5.1171269842853604e-49, 1.595759757504317e-16 ], [ 4.1759770052913906e-33, -6.755836551170661e-17, 3.7229199692066866 ], [ 5.21214691, 3.2241432695893697, 3.838486905396657 ], [ -1.048392899242968e-16, 1.7121555373727346, 0.988513460396657 ...
[ [ 5.21214691, 0, 3.191519515008634e-16 ], [ -3.0226112667905203e-16, 4.936298806962105, 2.8499734450000007 ], [ 3.0226112667905203e-16, -4.936298806962105, 2.849973444999999 ] ]
[ 69, 40, 40, 40, 40, 40 ]
[ 1, 1, 1 ]
alex<agm002247391>
P-62m
Tm-Zr
0.006848
null
null
-0.000001
2,735.135647
97.653839
[ [ 2.8627657943645892, 2.59984267, 6.228495785755619 ], [ 0.0075350212381321315, 0, 0.03930010878805015 ], [ 2.144836945766149, 0, 2.484014810305394 ], [ 1.0599736590760949, 0, 5.528474445460921 ], [ 1.799078153796092, 2.59984267, 0.68065043...
[ [ 3.218829023688179, 0, -0.6171456530682602 ], [ -3.1838890041022087e-16, 5.19968534, 3.1838890041022087e-16 ], [ 0, 0, 8.70275029 ] ]
[ 69, 40, 40, 40, 40, 40 ]
[ 1, 1, 1 ]
alex<agm003299348>
Amm2
Tm-Zr
0.017636
null
null
-0.000133
2,735.135647
93.022774
[ [ -3.5977357773746377, -2.136525849339688, -7.902681058114044 ], [ -1.3493382993138285, -0.8013084713218639, -1.9092877041972942 ], [ -2.4735370383442334, -1.4689171603307762, -4.905984381155669 ] ]
[ [ -1.6012163128140462, -2.9378343206615525, -0.6927337961556689 ], [ -3.3458577638744202, 0, -0.6927337961556689 ], [ 0, 0, -8.42650117 ] ]
[ 69, 69, 40 ]
[ 1, 1, 1 ]
alex<agm003295426>
R-3m
Tm-Zr
0.055557
null
null
0.000004
2,993.701222
33.396057
[ [ 2.2320852827234954, -1.1367011740217392, 2.1389011652420105 ], [ 1.0785493403501731, 1.13670117402174, 4.708735763385317 ], [ 0, 0, 0 ] ]
[ [ 0.17369313242662537, -3.3060750601342916, 0.7583102913726723 ], [ 3.310634623073669, 0, -0.7583102913726723 ], [ -0.17369313242662537, 3.3060750601342916, 6.8476369286273275 ] ]
[ 69, 69, 40 ]
[ 1, 1, 1 ]
alex<agm001851089>
I4/mmm
Tm-Zr
0.060994
null
null
-0.000001
2,993.701222
59.361027