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{
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{
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{
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"structure_string": "Mn8 H4 C16 O34\n1.0\n7.189838 0.000000 0.000000\n0.000000 9.132435 0.000000\n0.000000 0.000000 11.945683\nMn H C O\n8 4 16 34\ndirect\n0.996018 0.180974 0.703962 Mn\n0.502997 0.318121 0.201628 Mn\n0.502997 0.681879 0.798372 Mn\n0.996018 0.819026 0.296038 Mn\n0.002997 0.818121 0.798372 Mn\n0.496018 0.680974 0.296038 Mn\n0.496018 0.319026 0.703962 Mn\n0.002997 0.181879 0.201628 Mn\n0.992052 0.413045 0.507582 H\n0.992052 0.586955 0.492418 H\n0.492052 0.913045 0.492418 H\n0.492052 0.086955 0.507582 H\n0.893559 0.502606 0.743334 C\n0.607618 0.996996 0.243639 C\n0.607618 0.003004 0.756361 C\n0.893559 0.497394 0.256666 C\n0.107618 0.496996 0.756361 C\n0.393559 0.002606 0.256666 C\n0.393559 0.997394 0.743334 C\n0.107618 0.503004 0.243639 C\n0.011084 0.073314 0.966446 C\n0.486772 0.426955 0.466358 C\n0.486772 0.573045 0.533642 C\n0.011084 0.926686 0.033554 C\n0.986772 0.926955 0.533642 C\n0.511084 0.573314 0.033554 C\n0.511084 0.426686 0.966446 C\n0.986772 0.073045 0.466358 C\n0.816045 0.623036 0.767740 O\n0.684503 0.875491 0.265318 O\n0.684503 0.124509 0.734682 O\n0.816045 0.376964 0.232260 O\n0.184503 0.375491 0.734682 O\n0.316045 0.123036 0.232260 O\n0.316045 0.876964 0.767740 O\n0.184503 0.624509 0.265318 O\n0.013923 0.057906 0.860418 O\n0.487517 0.441123 0.360559 O\n0.487517 0.558877 0.639441 O\n0.013923 0.942094 0.139582 O\n0.987517 0.941123 0.639441 O\n0.513923 0.557906 0.139582 O\n0.513923 0.442094 0.860418 O\n0.987517 0.058877 0.360559 O\n0.814878 0.386408 0.710477 O\n0.685344 0.113527 0.210950 O\n0.685344 0.886473 0.789050 O\n0.814878 0.613592 0.289523 O\n0.185344 0.613527 0.789050 O\n0.314878 0.886408 0.289523 O\n0.314878 0.113592 0.710477 O\n0.185344 0.386473 0.210950 O\n0.008562 0.192064 0.019176 O\n0.489391 0.308544 0.520380 O\n0.489391 0.691456 0.479620 O\n0.008562 0.807936 0.980824 O\n0.989391 0.808544 0.479620 O\n0.508562 0.692064 0.980824 O\n0.508562 0.307936 0.019176 O\n0.989391 0.191456 0.520380 O\n0.070174 0.500000 0.500000 O\n0.570174 0.000000 0.500000 O\n",
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{
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"created_at": "2022-09-04T14:42:40.285226Z",
"structure_string": "Hg6 Se4 Cl4\n1.0\n-4.686698 4.686698 4.686698\n4.686698 -4.686698 4.686698\n4.686698 4.686698 -4.686698\nHg Se Cl\n6 4 4\ndirect\n0.939946 0.250000 0.189946 Hg\n0.750000 0.310054 0.560054 Hg\n0.189946 0.939946 0.250000 Hg\n0.250000 0.189946 0.939946 Hg\n0.310054 0.560054 0.750000 Hg\n0.560054 0.750000 0.310054 Hg\n0.540573 0.500000 0.000000 Se\n0.959427 0.959427 0.959427 Se\n0.500000 0.000000 0.540573 Se\n0.000000 0.540573 0.500000 Se\n0.014027 0.500000 0.000000 Cl\n0.485973 0.485973 0.485973 Cl\n0.000000 0.014027 0.500000 Cl\n0.500000 0.000000 0.014027 Cl\n",
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{
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"structure_string": "Cs2 Sm2 Mo4 O16\n1.0\n5.149590 0.000000 0.000000\n0.000000 8.309968 0.000000\n0.000000 0.000000 9.680017\nCs Sm Mo O\n2 2 4 16\ndirect\n0.000000 0.250000 0.500000 Cs\n0.000000 0.750000 0.500000 Cs\n0.000000 0.250000 0.000000 Sm\n0.000000 0.750000 0.000000 Sm\n0.520686 0.000000 0.197431 Mo\n0.479314 0.000000 0.802569 Mo\n0.479314 0.500000 0.197431 Mo\n0.520686 0.500000 0.802569 Mo\n0.251888 0.000000 0.068040 O\n0.748112 0.000000 0.931960 O\n0.748112 0.500000 0.068040 O\n0.251888 0.500000 0.931960 O\n0.263940 0.328258 0.188566 O\n0.736060 0.671742 0.811434 O\n0.736060 0.328258 0.811434 O\n0.736060 0.171742 0.188566 O\n0.263940 0.671742 0.188566 O\n0.263940 0.828258 0.811434 O\n0.263940 0.171742 0.811434 O\n0.736060 0.828258 0.188566 O\n0.380020 0.000000 0.362450 O\n0.619980 0.000000 0.637550 O\n0.619980 0.500000 0.362450 O\n0.380020 0.500000 0.637550 O\n",
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{
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},
{
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"structure_string": "K2 Te6\n1.0\n3.391140 -5.873628 0.000000\n3.391140 5.873628 0.000000\n0.000000 0.000000 6.448320\nK Te\n2 6\ndirect\n0.333333 0.666667 0.750000 K\n0.666667 0.333333 0.250000 K\n0.823956 0.176044 0.750000 Te\n0.352088 0.176044 0.750000 Te\n0.823956 0.647912 0.750000 Te\n0.176044 0.823956 0.250000 Te\n0.647912 0.823956 0.250000 Te\n0.176044 0.352088 0.250000 Te\n",
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"formula_full": "K2 Te6",
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},
{
"id": "mp-1244900",
"created_at": "2022-09-04T14:42:40.363725Z",
"structure_string": "Ga32 O48\n1.0\n10.179935 0.345261 0.262737\n0.351495 10.422160 -0.016356\n0.267135 -0.009703 9.865022\nGa O\n32 48\ndirect\n0.136055 0.776517 0.093505 Ga\n0.894974 0.173290 0.692651 Ga\n0.396234 0.866375 0.276403 Ga\n0.228424 0.249792 0.979717 Ga\n0.360574 0.695201 0.800323 Ga\n0.065161 0.263363 0.407624 Ga\n0.807535 0.472615 0.784809 Ga\n0.911722 0.772616 0.387087 Ga\n0.112358 0.014332 0.867573 Ga\n0.528102 0.209286 0.017010 Ga\n0.583328 0.125051 0.686046 Ga\n0.101616 0.954686 0.398056 Ga\n0.874703 0.485011 0.250607 Ga\n0.406026 0.588485 0.531414 Ga\n0.754943 0.350971 0.513272 Ga\n0.059646 0.645182 0.664125 Ga\n0.255453 0.143622 0.666274 Ga\n0.816801 0.274400 0.022915 Ga\n0.329938 0.556218 0.046852 Ga\n0.875291 0.714916 0.919388 Ga\n0.406876 0.951267 0.973769 Ga\n0.418220 0.377018 0.767228 Ga\n0.145479 0.562402 0.348437 Ga\n0.486692 0.900092 0.581510 Ga\n0.045435 0.495569 0.974068 Ga\n0.597127 0.694466 0.019492 Ga\n0.001748 0.042062 0.136821 Ga\n0.364681 0.330510 0.444468 Ga\n0.752022 0.990529 0.955366 Ga\n0.639721 0.728837 0.353692 Ga\n0.565848 0.438920 0.249492 Ga\n0.813473 0.888617 0.639292 Ga\n0.238226 0.691616 0.949892 O\n0.238172 0.640297 0.668301 O\n0.644472 0.315119 0.082605 O\n0.736424 0.489814 0.624012 O\n0.457801 0.731450 0.633550 O\n0.573116 0.034946 0.980903 O\n0.456155 0.404913 0.586621 O\n0.540731 0.248164 0.823020 O\n0.993722 0.515256 0.792134 O\n0.037312 0.910594 0.994675 O\n0.630342 0.947083 0.682489 O\n0.082448 0.155035 0.998681 O\n0.840594 0.022176 0.784697 O\n0.754772 0.784162 0.492307 O\n0.750608 0.824264 0.000792 O\n0.741039 0.389746 0.327858 O\n0.032507 0.654297 0.473555 O\n0.292318 0.989280 0.828918 O\n0.224222 0.232339 0.493669 O\n0.265431 0.281225 0.790386 O\n0.285299 0.498100 0.433341 O\n0.298042 0.904812 0.125782 O\n0.022641 0.865442 0.249600 O\n0.924606 0.763373 0.740046 O\n0.995929 0.656686 0.043587 O\n0.742085 0.591022 0.919953 O\n0.832734 0.100255 0.079156 O\n0.915728 0.406138 0.079409 O\n0.480844 0.787038 0.907501 O\n0.843838 0.296732 0.835004 O\n0.361941 0.165261 0.060410 O\n0.936769 0.283692 0.543819 O\n0.501682 0.545196 0.106921 O\n0.219749 0.643780 0.203330 O\n0.039698 0.422900 0.318636 O\n0.527915 0.886784 0.400867 O\n0.425473 0.082802 0.603180 O\n0.952805 0.924256 0.506229 O\n0.080480 0.094482 0.702355 O\n0.419339 0.524794 0.860634 O\n0.203626 0.422986 0.031925 O\n0.818567 0.655715 0.274090 O\n0.721105 0.190113 0.587819 O\n0.540754 0.584250 0.389180 O\n0.467201 0.304091 0.294554 O\n0.267471 0.894206 0.421797 O\n0.556052 0.778321 0.187094 O\n0.056886 0.113191 0.302605 O\n",
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},
{
"id": "mp-1220657",
"created_at": "2022-09-04T14:42:40.719255Z",
"structure_string": "Nb6 S10\n1.0\n5.864187 0.000000 0.000000\n-1.959090 6.918465 0.000000\n-0.982035 -2.840158 7.361254\nNb S\n6 10\ndirect\n0.674519 0.520984 0.983594 Nb\n0.002398 0.994555 0.001920 Nb\n0.597806 0.203835 0.203950 Nb\n0.197094 0.397986 0.397433 Nb\n0.794862 0.597534 0.605647 Nb\n0.400904 0.793663 0.800780 Nb\n0.232121 0.046510 0.304913 S\n0.052083 0.640930 0.906036 S\n0.830670 0.245943 0.501978 S\n0.631873 0.855558 0.116002 S\n0.414346 0.425655 0.691700 S\n0.901307 0.559495 0.298144 S\n0.702497 0.154253 0.895471 S\n0.501228 0.754085 0.500247 S\n0.300997 0.356157 0.094502 S\n0.098095 0.950456 0.699283 S\n",
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}
]
}