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{
"id": "mp-560591",
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"spacegroup": 55
},
{
"id": "mp-1208835",
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"structure_string": "Sr2 Al1 Sb1 O6\n1.0\n0.000000 3.928638 3.928638\n3.928638 0.000000 3.928638\n3.928638 3.928638 0.000000\nSr Al Sb O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Sb\n0.753917 0.246083 0.246083 O\n0.246083 0.753917 0.753917 O\n0.246083 0.753917 0.246083 O\n0.753917 0.246083 0.753917 O\n0.246083 0.246083 0.753917 O\n0.753917 0.753917 0.246083 O\n",
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"formula_full": "Sr2 Al1 Sb1 O6",
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"formula_anonymous": "ABC2D6",
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{
"id": "mp-1223339",
"created_at": "2022-09-04T14:40:39.411225Z",
"structure_string": "La2 Ga5 Cu3\n1.0\n4.325791 0.000000 0.000000\n0.000000 4.325791 0.000000\n0.000000 0.000000 10.227631\nLa Ga Cu\n2 5 3\ndirect\n0.500000 0.000000 0.746923 La\n0.000000 0.500000 0.253077 La\n0.000000 0.500000 0.868005 Ga\n0.500000 0.000000 0.380032 Ga\n0.500000 0.000000 0.131995 Ga\n0.000000 0.500000 0.619968 Ga\n0.500000 0.500000 0.000000 Ga\n0.000000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n",
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"Ga",
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],
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"formula_full": "La2 Ga5 Cu3",
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{
"id": "mp-1216837",
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"structure_string": "Tl2 Fe1 Cu3 S4\n1.0\n3.838373 0.000000 0.000000\n0.000000 3.838373 0.000000\n0.000000 0.000000 13.688516\nTl Fe Cu S\n2 1 3 4\ndirect\n0.500000 0.000000 0.736390 Tl\n0.000000 0.500000 0.263610 Tl\n0.500000 0.500000 0.000000 Fe\n0.000000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n0.000000 0.500000 0.901462 S\n0.500000 0.000000 0.397865 S\n0.500000 0.000000 0.098538 S\n0.000000 0.500000 0.602135 S\n",
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{
"id": "mp-1233085",
"created_at": "2022-09-04T14:40:39.450454Z",
"structure_string": "Sr2 Mg1 Zn2 Sn2 P4 O16\n1.0\n5.148947 0.463734 -0.998946\n-0.930075 7.933707 -2.561350\n0.296265 0.210923 9.824389\nSr Mg Zn Sn P O\n2 1 2 2 4 16\ndirect\n0.095793 0.741642 0.003837 Sr\n0.884871 0.251201 0.993151 Sr\n0.265220 0.834739 0.371029 Mg\n0.047752 0.404246 0.629735 Zn\n0.953228 0.401888 0.382643 Zn\n0.743580 0.859881 0.651269 Sn\n0.420482 0.212641 0.451497 Sn\n0.408716 0.464239 0.231208 P\n0.588654 0.544021 0.785687 P\n0.732886 0.968246 0.226876 P\n0.248447 0.052666 0.730174 P\n0.735441 0.500857 0.916862 O\n0.695544 0.418031 0.217420 O\n0.716049 0.713577 0.790815 O\n0.122293 0.220914 0.732354 O\n0.296438 0.567398 0.786056 O\n0.229747 0.927174 0.577216 O\n0.778376 0.135727 0.354951 O\n0.092058 0.974205 0.820317 O\n0.274903 0.310438 0.260997 O\n0.773348 0.998498 0.085333 O\n0.256423 0.484226 0.091364 O\n0.393417 0.614630 0.363338 O\n0.643105 0.411056 0.643158 O\n0.454166 0.905524 0.226139 O\n0.930352 0.836372 0.257417 O\n0.540139 0.070034 0.794158 O\n",
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"formula_full": "Sr2 Mg1 Zn2 Sn2 P4 O16",
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"spacegroup": 1
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{
"id": "mp-1195504",
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"structure_string": "K8 Gd4 B20 H80\n1.0\n-8.521091 0.000000 2.254851\n0.040733 0.000000 -11.827340\n0.000000 -12.569766 0.000000\nK Gd B H\n8 4 20 80\ndirect\n0.421369 0.656394 0.046516 K\n0.578631 0.343606 0.546516 K\n0.578631 0.343606 0.953484 K\n0.421369 0.656394 0.453484 K\n0.178786 0.310827 0.250000 K\n0.821214 0.689173 0.750000 K\n0.000000 0.000000 0.000000 K\n0.000000 0.000000 0.500000 K\n0.131198 0.372611 0.750000 Gd\n0.868802 0.627389 0.250000 Gd\n0.440379 0.913271 0.750000 Gd\n0.559621 0.086729 0.250000 Gd\n0.438450 0.522028 0.750000 B\n0.561550 0.477972 0.250000 B\n0.879001 0.431904 0.750000 B\n0.120999 0.568096 0.250000 B\n0.044661 0.151439 0.750000 B\n0.955339 0.848561 0.250000 B\n0.497520 0.133928 0.750000 B\n0.502480 0.866072 0.250000 B\n0.204536 0.406377 0.980037 B\n0.795464 0.593623 0.480037 B\n0.795464 0.593623 0.019963 B\n0.204536 0.406377 0.519963 B\n0.665120 0.871437 0.606917 B\n0.334880 0.128563 0.106917 B\n0.334880 0.128563 0.393083 B\n0.665120 0.871437 0.893083 B\n0.217634 0.830835 0.600854 B\n0.782366 0.169165 0.100854 B\n0.782366 0.169165 0.399146 B\n0.217634 0.830835 0.899146 B\n0.315834 0.554944 0.750000 H\n0.684166 0.445056 0.250000 H\n0.404059 0.411941 0.750000 H\n0.595941 0.588059 0.250000 H\n0.511999 0.556587 0.669350 H\n0.488001 0.443413 0.169350 H\n0.488001 0.443413 0.330650 H\n0.511999 0.556587 0.830650 H\n0.754961 0.456673 0.750000 H\n0.245039 0.543327 0.250000 H\n0.857463 0.324671 0.750000 H\n0.142537 0.675329 0.250000 H\n0.958943 0.471148 0.670576 H\n0.041057 0.528852 0.170576 H\n0.041057 0.528852 0.329424 H\n0.958943 0.471148 0.829424 H\n0.990481 0.046966 0.750000 H\n0.009519 0.953034 0.250000 H\n0.190076 0.183390 0.750000 H\n0.809924 0.816610 0.250000 H\n0.999740 0.197448 0.671374 H\n0.000260 0.802552 0.171374 H\n0.000260 0.802552 0.328626 H\n0.999740 0.197448 0.828626 H\n0.621559 0.104378 0.750000 H\n0.378441 0.895622 0.250000 H\n0.516656 0.239258 0.750000 H\n0.483344 0.760742 0.250000 H\n0.421799 0.089154 0.670773 H\n0.578201 0.910846 0.170773 H\n0.578201 0.910846 0.329227 H\n0.421799 0.089154 0.829227 H\n0.158290 0.493980 0.994450 H\n0.841710 0.506020 0.494450 H\n0.841710 0.506020 0.005550 H\n0.158290 0.493980 0.505550 H\n0.097964 0.317445 0.986301 H\n0.902036 0.682555 0.486301 H\n0.902036 0.682555 0.013699 H\n0.097964 0.317445 0.513699 H\n0.272171 0.414953 0.893543 H\n0.727829 0.585047 0.393543 H\n0.727829 0.585047 0.106457 H\n0.272171 0.414953 0.606457 H\n0.312013 0.402498 0.041172 H\n0.687987 0.597502 0.541172 H\n0.687987 0.597502 0.958828 H\n0.312013 0.402498 0.458828 H\n0.797719 0.879027 0.639358 H\n0.202281 0.120973 0.139358 H\n0.202281 0.120973 0.360642 H\n0.797719 0.879027 0.860642 H\n0.634976 0.966386 0.623043 H\n0.365024 0.033614 0.123043 H\n0.365024 0.033614 0.376957 H\n0.634976 0.966386 0.876957 H\n0.651934 0.851161 0.512054 H\n0.348066 0.148839 0.012054 H\n0.348066 0.148839 0.487946 H\n0.651934 0.851161 0.987946 H\n0.573548 0.791264 0.656764 H\n0.426452 0.208736 0.156764 H\n0.426452 0.208736 0.343236 H\n0.573548 0.791264 0.843236 H\n0.168683 0.831560 0.510819 H\n0.831317 0.168440 0.010819 H\n0.831317 0.168440 0.489181 H\n0.168683 0.831560 0.989181 H\n0.223992 0.926203 0.645052 H\n0.776008 0.073797 0.145052 H\n0.776008 0.073797 0.354948 H\n0.223992 0.926203 0.854948 H\n0.141185 0.750541 0.654602 H\n0.858815 0.249459 0.154602 H\n0.858815 0.249459 0.345398 H\n0.141185 0.750541 0.845398 H\n0.353595 0.821130 0.593680 H\n0.646405 0.178870 0.093680 H\n0.646405 0.178870 0.406320 H\n0.353595 0.821130 0.906320 H\n",
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{
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"structure_string": "K2 Er2 H2 Se4 O18\n1.0\n5.761680 0.000000 0.000000\n2.279347 8.305059 0.000000\n0.940917 3.030198 8.852098\nK Er H Se O\n2 2 2 4 18\ndirect\n0.235206 0.779018 0.983381 K\n0.764794 0.220982 0.016619 K\n0.644078 0.630923 0.606028 Er\n0.355922 0.369077 0.393972 Er\n0.325061 0.102213 0.260921 H\n0.674939 0.897787 0.739079 H\n0.113176 0.827176 0.369721 Se\n0.886824 0.172824 0.630279 Se\n0.783263 0.551216 0.216058 Se\n0.216737 0.448784 0.783942 Se\n0.199316 0.662618 0.301270 O\n0.800684 0.337382 0.698730 O\n0.097280 0.004039 0.225512 O\n0.902720 0.995961 0.774488 O\n0.686386 0.181097 0.509216 O\n0.313614 0.818903 0.490784 O\n0.149643 0.180484 0.539193 O\n0.850357 0.819516 0.460807 O\n0.741829 0.747716 0.100829 O\n0.258171 0.252284 0.899171 O\n0.589723 0.454947 0.176771 O\n0.410277 0.545053 0.823229 O\n0.712265 0.533468 0.399849 O\n0.287735 0.466532 0.600151 O\n0.065606 0.433388 0.208383 O\n0.934394 0.566612 0.791617 O\n0.454267 0.157173 0.268013 O\n0.545733 0.842827 0.731987 O\n",
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{
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"structure_string": "Zr2 Cu1 Si1 P2\n1.0\n2.874424 0.000000 0.000000\n0.000000 2.874424 0.000000\n0.000000 0.000000 14.788824\nZr Cu Si P\n2 1 1 2\ndirect\n0.500000 0.500000 0.183050 Zr\n0.500000 0.500000 0.816950 Zr\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 0.000000 Si\n0.500000 0.500000 0.647024 P\n0.500000 0.500000 0.352976 P\n",
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{
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{
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{
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{
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"structure_string": "Ba2 Na4 Ti4 Si8 O28\n1.0\n-4.108444 5.268529 7.030110\n4.108444 -5.268529 7.030110\n4.108444 5.268529 -7.030110\nBa Na Ti Si O\n2 4 4 8 28\ndirect\n0.001389 0.728313 0.226924 Ba\n0.998611 0.225534 0.726924 Ba\n0.000000 0.978350 0.978350 Na\n0.593231 0.812151 0.718921 Na\n0.406769 0.125690 0.218921 Na\n0.500000 0.978350 0.478350 Na\n0.217682 0.171803 0.454122 Ti\n0.782318 0.236440 0.954122 Ti\n0.780861 0.737038 0.456177 Ti\n0.219139 0.675316 0.956177 Ti\n0.616118 0.432362 0.758322 Si\n0.826198 0.537422 0.653209 Si\n0.173802 0.827011 0.711224 Si\n0.174039 0.432362 0.316244 Si\n0.615788 0.827011 0.153209 Si\n0.383882 0.142204 0.816244 Si\n0.384212 0.537422 0.211224 Si\n0.825961 0.142204 0.258322 Si\n0.183169 0.266298 0.317417 O\n0.216413 0.463379 0.746966 O\n0.448882 0.266298 0.583129 O\n0.551118 0.134248 0.817417 O\n0.184870 0.831028 0.884886 O\n0.815130 0.700017 0.646159 O\n0.661750 0.487012 0.647863 O\n0.796617 0.041134 0.744518 O\n0.821271 0.341992 0.448766 O\n0.019330 0.878947 0.621652 O\n0.606774 0.627495 0.948766 O\n0.980670 0.602322 0.859617 O\n0.242705 0.602322 0.121652 O\n0.446142 0.831028 0.146159 O\n0.240438 0.092327 0.612561 O\n0.979767 0.092327 0.351889 O\n0.660851 0.986113 0.147863 O\n0.178729 0.627495 0.520721 O\n0.393226 0.341992 0.020721 O\n0.020233 0.372122 0.112561 O\n0.816831 0.134248 0.083129 O\n0.783587 0.530554 0.246966 O\n0.759562 0.372122 0.851889 O\n0.757295 0.878947 0.359617 O\n0.553858 0.700017 0.384886 O\n0.338250 0.986113 0.825262 O\n0.339149 0.487012 0.325262 O\n0.203383 0.947901 0.244518 O\n",
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}