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{
"id": "mp-1221890",
"created_at": "2022-09-04T14:45:08.416291Z",
"structure_string": "Mn2 Cd1 Te3\n1.0\n2.038287 -3.530417 0.000000\n2.038287 3.530417 0.000000\n0.000000 0.000000 10.464250\nMn Cd Te\n2 1 3\ndirect\n0.333333 0.666667 0.659367 Mn\n0.666667 0.333333 0.340633 Mn\n0.000000 0.000000 0.000000 Cd\n0.000000 0.000000 0.500000 Te\n0.333333 0.666667 0.190909 Te\n0.666667 0.333333 0.809091 Te\n",
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{
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{
"id": "mp-1072994",
"created_at": "2022-09-04T14:45:08.428652Z",
"structure_string": "Mg8 Si12\n1.0\n4.488335 0.000000 0.000000\n2.030271 4.868639 0.000000\n0.917305 0.460138 16.542198\nMg Si\n8 12\ndirect\n0.906929 0.227114 0.699890 Mg\n0.093071 0.772886 0.300110 Mg\n0.581870 0.821858 0.596629 Mg\n0.418130 0.178142 0.403371 Mg\n0.411190 0.215011 0.199702 Mg\n0.588810 0.784989 0.800298 Mg\n0.085489 0.812686 0.097611 Mg\n0.914511 0.187314 0.902389 Mg\n0.875559 0.232403 0.525767 Si\n0.705344 0.604277 0.424037 Si\n0.294656 0.395723 0.575963 Si\n0.124441 0.767597 0.474233 Si\n0.637687 0.656057 0.194810 Si\n0.362313 0.343943 0.805190 Si\n0.374739 0.234543 0.024270 Si\n0.625261 0.765457 0.975730 Si\n0.799200 0.384017 0.075824 Si\n0.200800 0.615983 0.924176 Si\n0.132187 0.668928 0.694624 Si\n0.867813 0.331072 0.305376 Si\n",
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"formula_full": "Mg8 Si12",
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},
{
"id": "mp-1093891",
"created_at": "2022-09-04T14:45:08.440773Z",
"structure_string": "Al1 Zn1 Ni2\n1.0\n-8.023365 0.000000 -4.632291\n-8.041749 0.044393 4.664135\n-5.375965 7.584370 0.046862\nAl Zn Ni\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.000000 0.000000 Zn\n0.759130 0.000000 0.000000 Ni\n0.240870 0.000000 0.000000 Ni\n",
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"formula_full": "Al1 Zn1 Ni2",
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"spacegroup": 71
},
{
"id": "mp-1025578",
"created_at": "2022-09-04T14:45:08.443447Z",
"structure_string": "Te2 W3 Se2 S2\n1.0\n1.674049 -2.899538 0.000000\n1.674049 2.899538 0.000000\n0.000000 0.000000 31.022729\nTe W Se S\n2 3 2 2\ndirect\n0.333333 0.666667 0.516974 Te\n0.333333 0.666667 0.639710 Te\n0.000000 0.000000 0.115659 W\n0.000000 0.000000 0.578371 W\n0.333333 0.666667 0.346949 W\n0.000000 0.000000 0.400796 Se\n0.000000 0.000000 0.293071 Se\n0.333333 0.666667 0.066623 S\n0.333333 0.666667 0.164689 S\n",
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"elements": [
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"S"
],
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"formula_full": "Te2 W3 Se2 S2",
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{
"id": "mp-557633",
"created_at": "2022-09-04T14:45:08.453202Z",
"structure_string": "Sn16 W8 O40\n1.0\n14.106635 0.000000 0.000000\n0.000000 8.217192 0.000000\n0.000000 4.368186 9.972737\nSn W O\n16 8 40\ndirect\n0.102816 0.912289 0.270558 Sn\n0.897184 0.087711 0.729442 Sn\n0.843772 0.552685 0.383244 Sn\n0.652195 0.232773 0.546314 Sn\n0.656228 0.552685 0.883244 Sn\n0.600159 0.694803 0.196819 Sn\n0.399841 0.305197 0.803181 Sn\n0.347805 0.767227 0.453686 Sn\n0.397184 0.912289 0.770558 Sn\n0.847805 0.232773 0.046314 Sn\n0.602816 0.087711 0.229442 Sn\n0.156228 0.447315 0.616756 Sn\n0.152195 0.767227 0.953686 Sn\n0.899841 0.694803 0.696819 Sn\n0.100159 0.305197 0.303181 Sn\n0.343772 0.447315 0.116756 Sn\n0.170794 0.276569 0.969798 W\n0.829206 0.723431 0.030202 W\n0.670794 0.723431 0.530202 W\n0.329206 0.276569 0.469798 W\n0.176453 0.941181 0.601377 W\n0.823547 0.058819 0.398623 W\n0.676453 0.058819 0.898623 W\n0.323547 0.941181 0.101377 W\n0.384379 0.193473 0.653907 O\n0.183756 0.194681 0.562063 O\n0.217185 0.730982 0.578093 O\n0.743696 0.122278 0.724984 O\n0.756304 0.122278 0.224984 O\n0.820064 0.979567 0.984754 O\n0.121874 0.024455 0.419304 O\n0.259573 0.336163 0.298839 O\n0.884379 0.806527 0.846093 O\n0.621874 0.975545 0.080696 O\n0.740427 0.663837 0.701161 O\n0.256304 0.877722 0.275016 O\n0.243696 0.877722 0.775016 O\n0.378126 0.024455 0.919304 O\n0.717185 0.269018 0.921907 O\n0.615621 0.806527 0.346093 O\n0.287532 0.485351 0.495445 O\n0.566838 0.131868 0.809085 O\n0.933162 0.131868 0.309085 O\n0.937623 0.654311 0.118276 O\n0.816244 0.805319 0.437937 O\n0.320064 0.020433 0.515246 O\n0.066838 0.868132 0.690915 O\n0.212468 0.485351 0.995445 O\n0.878126 0.975545 0.580696 O\n0.683756 0.805319 0.937937 O\n0.437623 0.345689 0.381724 O\n0.679936 0.979567 0.484754 O\n0.712468 0.514649 0.504555 O\n0.282815 0.730982 0.078093 O\n0.316244 0.194681 0.062063 O\n0.787532 0.514649 0.004555 O\n0.433162 0.868132 0.190915 O\n0.782815 0.269018 0.421907 O\n0.240427 0.336163 0.798839 O\n0.759573 0.663837 0.201161 O\n0.562377 0.654311 0.618276 O\n0.115621 0.193473 0.153907 O\n0.062377 0.345689 0.881724 O\n0.179936 0.020433 0.015246 O\n",
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"density": 5.760209842549955,
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"formula_full": "Sn16 W8 O40",
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{
"id": "mp-1177214",
"created_at": "2022-09-04T14:45:08.457964Z",
"structure_string": "Li8 V6 P16 O58\n1.0\n9.775490 0.000000 0.000000\n4.874282 8.494931 0.000000\n0.057595 0.070342 14.235242\nLi V P O\n8 6 16 58\ndirect\n0.312476 0.910212 0.552527 Li\n0.086315 0.225132 0.436134 Li\n0.773635 0.909721 0.063809 Li\n0.222390 0.083862 0.945554 Li\n0.918540 0.778867 0.556744 Li\n0.092864 0.682541 0.950109 Li\n0.678491 0.093559 0.439872 Li\n0.690769 0.226717 0.941744 Li\n0.566904 0.435506 0.746056 V\n0.430803 0.998242 0.751428 V\n0.995720 0.434262 0.247998 V\n0.003076 0.563011 0.750893 V\n0.567392 0.001111 0.248434 V\n0.430516 0.566351 0.252588 V\n0.315967 0.766486 0.842352 P\n0.320590 0.908666 0.338353 P\n0.770451 0.313262 0.337875 P\n0.668155 0.668477 0.631384 P\n0.665332 0.667149 0.130632 P\n0.913352 0.313717 0.836478 P\n0.088055 0.231769 0.654930 P\n0.769316 0.908467 0.841417 P\n0.229915 0.090448 0.160333 P\n0.910698 0.769165 0.342469 P\n0.089732 0.682086 0.163252 P\n0.334073 0.333373 0.869448 P\n0.332110 0.332147 0.371226 P\n0.229558 0.686150 0.658876 P\n0.679036 0.088696 0.661742 P\n0.681105 0.235067 0.155208 P\n0.236180 0.768366 0.573186 O\n0.338549 0.742453 0.333342 O\n0.209482 0.999135 0.249006 O\n0.234261 0.014695 0.069945 O\n0.476806 0.616106 0.821537 O\n0.337834 0.913363 0.839692 O\n0.522100 0.662941 0.177228 O\n0.617235 0.474109 0.324676 O\n0.749164 0.245146 0.063877 O\n0.743663 0.338356 0.836893 O\n0.514541 0.813681 0.669739 O\n0.668474 0.518615 0.676911 O\n0.480948 0.896141 0.322580 O\n0.674796 0.664459 0.527521 O\n0.674769 0.656770 0.026855 O\n0.622286 0.894949 0.824372 O\n0.817063 0.519127 0.177593 O\n0.672061 0.816159 0.165801 O\n0.915689 0.339200 0.338508 O\n0.988136 0.216926 0.740597 O\n0.007248 0.228127 0.919690 O\n0.011292 0.247258 0.563160 O\n0.904315 0.476897 0.820460 O\n0.818781 0.668993 0.673849 O\n0.743413 0.916995 0.336362 O\n0.084551 0.258497 0.170516 O\n0.903137 0.617953 0.322348 O\n0.239050 0.995609 0.426532 O\n0.756332 0.004626 0.572727 O\n0.099854 0.381677 0.680618 O\n0.920938 0.742483 0.838479 O\n0.790572 0.997582 0.750648 O\n0.252467 0.081979 0.662527 O\n0.181625 0.331740 0.330267 O\n0.097318 0.521271 0.179511 O\n0.001245 0.758792 0.074469 O\n0.988854 0.764213 0.432495 O\n0.000653 0.790320 0.252394 O\n0.083187 0.662567 0.662200 O\n0.326379 0.187953 0.832138 O\n0.381405 0.100393 0.178717 O\n0.183898 0.487266 0.825763 O\n0.327639 0.337992 0.475569 O\n0.327729 0.346593 0.973455 O\n0.518587 0.097855 0.678967 O\n0.333079 0.480229 0.324269 O\n0.485388 0.185151 0.333964 O\n0.256814 0.658945 0.165750 O\n0.209147 0.789413 0.750633 O\n0.233970 0.757408 0.927663 O\n0.382204 0.523582 0.676699 O\n0.484658 0.331844 0.827046 O\n0.665779 0.084478 0.161109 O\n0.520866 0.383062 0.178659 O\n0.764119 0.994857 0.929441 O\n0.657897 0.256075 0.668182 O\n0.769592 0.221809 0.420939 O\n0.795331 0.216773 0.241555 O\n",
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{
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"structure_string": "Mn3 Sb1 O8\n1.0\n5.159738 -3.039668 0.000000\n5.159738 3.039668 0.000000\n3.369030 0.000000 4.950971\nMn Sb O\n3 1 8\ndirect\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Sb\n0.273094 0.273094 0.273094 O\n0.765293 0.765293 0.264287 O\n0.264287 0.765293 0.765293 O\n0.726906 0.726906 0.726906 O\n0.765293 0.264287 0.765293 O\n0.234707 0.234707 0.735713 O\n0.735713 0.234707 0.234707 O\n0.234707 0.735713 0.234707 O\n",
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{
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{
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{
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"structure_string": "Cu8 H40 C24 S12 N16\n1.0\n30.599248 0.000000 0.000000\n0.000000 5.827955 0.000000\n0.000000 2.935233 7.050757\nCu H C S N\n8 40 24 12 16\ndirect\n0.713780 0.179712 0.011695 Cu\n0.959764 0.574592 0.583320 Cu\n0.213780 0.820288 0.488305 Cu\n0.459764 0.425408 0.916680 Cu\n0.786220 0.179712 0.511695 Cu\n0.286220 0.820288 0.988305 Cu\n0.540236 0.574592 0.083320 Cu\n0.040236 0.425408 0.416680 Cu\n0.654296 0.823234 0.495974 H\n0.137182 0.418621 0.786384 H\n0.845704 0.823234 0.995974 H\n0.169544 0.724212 0.910642 H\n0.407649 0.770153 0.305403 H\n0.592351 0.229847 0.694597 H\n0.669544 0.275788 0.589358 H\n0.946793 0.462550 0.061307 H\n0.446793 0.537450 0.438693 H\n0.097673 0.200348 0.930352 H\n0.154296 0.176766 0.004026 H\n0.925650 0.252456 0.963389 H\n0.637182 0.581379 0.713616 H\n0.574350 0.252456 0.463389 H\n0.092351 0.770153 0.805403 H\n0.330456 0.724212 0.410642 H\n0.862818 0.581379 0.213616 H\n0.907649 0.229847 0.194597 H\n0.053207 0.537450 0.938693 H\n0.390732 0.354598 0.673627 H\n0.425650 0.747544 0.536611 H\n0.184401 0.465297 0.122182 H\n0.315599 0.465297 0.622182 H\n0.553207 0.462550 0.561307 H\n0.345704 0.176766 0.504026 H\n0.815599 0.534703 0.877818 H\n0.890732 0.645402 0.826373 H\n0.348477 0.709380 0.640042 H\n0.362818 0.418621 0.286384 H\n0.151523 0.709380 0.140042 H\n0.402327 0.200348 0.430352 H\n0.830456 0.275788 0.089358 H\n0.109268 0.354598 0.173627 H\n0.074350 0.747544 0.036611 H\n0.902327 0.799652 0.069648 H\n0.848477 0.290620 0.859958 H\n0.597673 0.799652 0.569648 H\n0.609268 0.645402 0.326373 H\n0.651523 0.290620 0.359958 H\n0.684401 0.534703 0.377818 H\n0.236483 0.268417 0.606854 C\n0.989330 0.981278 0.715397 C\n0.341025 0.602363 0.553377 C\n0.627585 0.697146 0.568164 C\n0.736483 0.731583 0.893146 C\n0.263517 0.268417 0.106854 C\n0.510670 0.981278 0.215397 C\n0.386993 0.772774 0.939267 C\n0.158975 0.602363 0.053377 C\n0.081941 0.644333 0.947213 C\n0.418059 0.644333 0.447213 C\n0.658975 0.397637 0.446623 C\n0.841025 0.397637 0.946623 C\n0.489330 0.018722 0.784603 C\n0.113007 0.772774 0.439267 C\n0.918059 0.355667 0.052787 C\n0.372415 0.302854 0.431836 C\n0.886993 0.227226 0.560733 C\n0.127585 0.302854 0.931836 C\n0.872415 0.697146 0.068164 C\n0.010670 0.018722 0.284603 C\n0.763517 0.731583 0.393146 C\n0.613007 0.227226 0.060733 C\n0.581941 0.355667 0.552787 C\n0.755955 0.013969 0.837255 S\n0.644625 0.011527 0.038931 S\n0.012576 0.224178 0.735535 S\n0.487424 0.224178 0.235535 S\n0.355375 0.988473 0.961069 S\n0.144625 0.988473 0.461069 S\n0.855375 0.011527 0.538931 S\n0.244045 0.986031 0.162745 S\n0.255955 0.986031 0.662745 S\n0.744045 0.013969 0.337255 S\n0.512576 0.775822 0.764465 S\n0.987424 0.775822 0.264465 S\n0.527156 0.807264 0.197938 N\n0.381447 0.468060 0.536556 N\n0.881447 0.531940 0.963444 N\n0.472844 0.192736 0.802062 N\n0.410234 0.617435 0.926258 N\n0.089766 0.617435 0.426258 N\n0.223159 0.472872 0.566251 N\n0.910234 0.382565 0.573742 N\n0.723159 0.527128 0.933749 N\n0.118553 0.468060 0.036556 N\n0.776841 0.527128 0.433749 N\n0.589766 0.382565 0.073742 N\n0.618553 0.531940 0.463444 N\n0.972844 0.807264 0.697938 N\n0.276841 0.472872 0.066251 N\n0.027156 0.192736 0.302062 N\n",
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},
{
"id": "mp-1104804",
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"structure_string": "Ba4 Cd4 Sb6\n1.0\n2.459742 9.172512 0.000000\n-2.459742 9.172512 0.000000\n0.000000 8.197868 10.948243\nBa Cd Sb\n4 4 6\ndirect\n0.264070 0.264070 0.337427 Ba\n0.735930 0.735930 0.662573 Ba\n0.398066 0.398066 0.944198 Ba\n0.601934 0.601934 0.055802 Ba\n0.041208 0.041208 0.689444 Cd\n0.958792 0.958792 0.310556 Cd\n0.408758 0.408758 0.654045 Cd\n0.591242 0.591242 0.345955 Cd\n0.079931 0.079931 0.875566 Sb\n0.920069 0.920069 0.124434 Sb\n0.155773 0.155773 0.195233 Sb\n0.844227 0.844227 0.804767 Sb\n0.386702 0.386702 0.458398 Sb\n0.613298 0.613298 0.541602 Sb\n",
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],
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]
}