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{
"id": "mp-1181413",
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{
"id": "mp-1221569",
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"structure_string": "Mn1 Zn1 Ga4 Se8\n1.0\n5.532225 3.999097 0.000000\n-5.532225 3.999097 0.000000\n0.000000 0.000592 8.001345\nMn Zn Ga Se\n1 1 4 8\ndirect\n0.500044 0.499956 0.500000 Mn\n0.999879 0.000121 0.000000 Zn\n0.999949 0.500020 0.750445 Ga\n0.499980 0.000051 0.249555 Ga\n0.500025 0.499975 0.000000 Ga\n0.999964 0.000036 0.500000 Ga\n0.111092 0.378710 0.489032 Se\n0.614249 0.879557 0.988712 Se\n0.120443 0.385751 0.011288 Se\n0.621290 0.888908 0.510968 Se\n0.622499 0.355170 0.755341 Se\n0.121579 0.856037 0.253051 Se\n0.143963 0.878421 0.746949 Se\n0.644830 0.377501 0.244659 Se\n",
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{
"id": "mp-1205599",
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"structure_string": "Nd1 Eu2 Ta1 O6\n1.0\n0.000000 4.292356 4.292356\n4.292356 0.000000 4.292356\n4.292356 4.292356 0.000000\nNd Eu Ta O\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 Nd\n0.250000 0.250000 0.250000 Eu\n0.750000 0.750000 0.750000 Eu\n0.000000 0.000000 0.000000 Ta\n0.767674 0.232326 0.232326 O\n0.232326 0.767674 0.767674 O\n0.232326 0.767674 0.232326 O\n0.767674 0.232326 0.767674 O\n0.232326 0.232326 0.767674 O\n0.767674 0.767674 0.232326 O\n",
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"volume": 158.16748125969968,
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{
"id": "mp-1226397",
"created_at": "2022-09-04T14:46:19.670909Z",
"structure_string": "Cu1 H16 Pt1 C4 N4 O11\n1.0\n3.487891 8.519175 0.000000\n-3.487891 8.519175 0.000000\n0.000000 3.262533 6.711081\nCu H Pt C N O\n1 16 1 4 4 11\ndirect\n0.532232 0.467768 0.500000 Cu\n0.823420 0.377029 0.015230 H\n0.379008 0.822910 0.783976 H\n0.622971 0.176580 0.984770 H\n0.177090 0.620992 0.216024 H\n0.778298 0.389587 0.811998 H\n0.391448 0.777778 0.019284 H\n0.610413 0.221702 0.188002 H\n0.222222 0.608552 0.980716 H\n0.783199 0.821218 0.799060 H\n0.818696 0.784015 0.595381 H\n0.178782 0.216801 0.200940 H\n0.215985 0.181304 0.404619 H\n0.007527 0.304779 0.811334 H\n0.304323 0.007987 0.876980 H\n0.695221 0.992473 0.188666 H\n0.992013 0.695677 0.123020 H\n0.000610 0.999390 0.000000 Pt\n0.330105 0.328711 0.567340 C\n0.325688 0.332999 0.774146 C\n0.671289 0.669895 0.432660 C\n0.667001 0.674312 0.225854 C\n0.889296 0.302420 0.899015 N\n0.303465 0.888880 0.909014 N\n0.697580 0.110704 0.100985 N\n0.111120 0.696535 0.090986 N\n0.403000 0.407774 0.414983 O\n0.405730 0.404402 0.775326 O\n0.592226 0.597000 0.585017 O\n0.595598 0.594270 0.224674 O\n0.854062 0.826398 0.660532 O\n0.173602 0.145938 0.339468 O\n0.261554 0.255208 0.558730 O\n0.246108 0.270165 0.923921 O\n0.744792 0.738446 0.441270 O\n0.729835 0.753892 0.076079 O\n0.799994 0.200006 0.500000 O\n",
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"density_atomic": 0.09277240257339253,
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"volume_molar": 6.491306242970118,
"formula_full": "Cu1 H16 Pt1 C4 N4 O11",
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"spacegroup": 5
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{
"id": "mp-16818",
"created_at": "2022-09-04T14:46:12.989416Z",
"structure_string": "Rb8 Cd12 Se16\n1.0\n6.960741 0.000000 0.000000\n0.000000 11.243342 0.000000\n0.000000 0.000000 14.957150\nRb Cd Se\n8 12 16\ndirect\n0.019944 0.250000 0.537768 Rb\n0.519944 0.750000 0.962232 Rb\n0.980056 0.750000 0.462232 Rb\n0.480056 0.250000 0.037768 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Rb\n0.500000 0.000000 0.500000 Rb\n0.000000 0.500000 0.000000 Rb\n0.814841 0.595368 0.754998 Cd\n0.314841 0.404632 0.745002 Cd\n0.185159 0.095368 0.245002 Cd\n0.685159 0.904632 0.254998 Cd\n0.185159 0.404632 0.245002 Cd\n0.685159 0.595368 0.254998 Cd\n0.814841 0.904632 0.754998 Cd\n0.314841 0.095368 0.745002 Cd\n0.753276 0.250000 0.293156 Cd\n0.253276 0.750000 0.206844 Cd\n0.246724 0.750000 0.706844 Cd\n0.746724 0.250000 0.793156 Cd\n0.097389 0.538420 0.639103 Se\n0.597389 0.461580 0.860897 Se\n0.902611 0.038420 0.360897 Se\n0.402611 0.961580 0.139103 Se\n0.902611 0.461580 0.360897 Se\n0.402611 0.538420 0.139103 Se\n0.097389 0.961580 0.639103 Se\n0.597389 0.038420 0.860897 Se\n0.962108 0.250000 0.139925 Se\n0.462108 0.750000 0.360075 Se\n0.037892 0.750000 0.860075 Se\n0.537892 0.250000 0.639925 Se\n0.891350 0.750000 0.153286 Se\n0.608650 0.750000 0.653286 Se\n0.108650 0.250000 0.846714 Se\n0.391350 0.250000 0.346714 Se\n",
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],
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"volume": 1170.5763482047093,
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"formula_full": "Rb8 Cd12 Se16",
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{
"id": "mp-1223087",
"created_at": "2022-09-04T14:46:07.986428Z",
"structure_string": "Lu8 Sc4 V12 O36\n1.0\n22.771023 0.000000 0.000000\n0.000000 5.207472 0.000000\n0.000000 0.000983 5.613757\nLu Sc V O\n8 4 12 36\ndirect\n0.666566 0.021611 0.929142 Lu\n0.333434 0.021611 0.929142 Lu\n0.833235 0.523993 0.570877 Lu\n0.500000 0.523261 0.571200 Lu\n0.166765 0.523993 0.570877 Lu\n0.833528 0.976281 0.071424 Lu\n0.500000 0.975995 0.072648 Lu\n0.166472 0.976281 0.071424 Lu\n0.000000 0.481440 0.436563 Sc\n0.666547 0.480438 0.432864 Sc\n0.333453 0.480438 0.432864 Sc\n0.000000 0.018202 0.936383 Sc\n0.081743 0.500923 0.999354 V\n0.749395 0.500529 0.001616 V\n0.416015 0.500385 0.001608 V\n0.918214 0.998753 0.499753 V\n0.583983 0.999602 0.498614 V\n0.250607 0.000191 0.498023 V\n0.918257 0.500923 0.999354 V\n0.583985 0.500385 0.001608 V\n0.250605 0.500529 0.001616 V\n0.081786 0.998753 0.499753 V\n0.749393 0.000191 0.498023 V\n0.416017 0.999602 0.498614 V\n0.000000 0.643700 0.065408 O\n0.666639 0.629799 0.067235 O\n0.333361 0.629799 0.067235 O\n0.000000 0.855832 0.565863 O\n0.666611 0.855999 0.554077 O\n0.333389 0.855999 0.554077 O\n0.833760 0.370034 0.943929 O\n0.500000 0.369348 0.943739 O\n0.166240 0.370034 0.943929 O\n0.833785 0.130148 0.445127 O\n0.500000 0.129550 0.446760 O\n0.166215 0.130148 0.445127 O\n0.059220 0.184638 0.178253 O\n0.727876 0.189413 0.185334 O\n0.394592 0.189530 0.185952 O\n0.940806 0.315114 0.678097 O\n0.607069 0.314649 0.679193 O\n0.273833 0.314540 0.679090 O\n0.894852 0.810223 0.813162 O\n0.562027 0.811325 0.814702 O\n0.228823 0.811518 0.814445 O\n0.772272 0.691287 0.312660 O\n0.439013 0.690810 0.312937 O\n0.105177 0.689603 0.313250 O\n0.771177 0.811518 0.814445 O\n0.437973 0.811325 0.814702 O\n0.105148 0.810223 0.813162 O\n0.894823 0.689603 0.313250 O\n0.560987 0.690810 0.312937 O\n0.227728 0.691287 0.312660 O\n0.940780 0.184638 0.178253 O\n0.605408 0.189530 0.185952 O\n0.272124 0.189413 0.185334 O\n0.059194 0.315114 0.678097 O\n0.726167 0.314540 0.679090 O\n0.392931 0.314649 0.679193 O\n",
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{
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"structure_string": "Ca2 Hf1 Ti1 O6\n1.0\n0.000000 -3.994696 -3.994696\n3.994696 0.000000 -3.994696\n3.994696 -3.994696 0.000000\nCa Hf Ti O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.750000 Ca\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Ti\n0.743840 0.256160 0.256160 O\n0.256160 0.743840 0.743840 O\n0.743840 0.256160 0.743840 O\n0.256160 0.743840 0.256160 O\n0.743840 0.743840 0.256160 O\n0.256160 0.256160 0.743840 O\n",
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{
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"created_at": "2022-09-04T14:46:16.163416Z",
"structure_string": "K4 Dy4 H8 C8 S4 O36\n1.0\n8.651539 0.000000 0.000000\n0.000000 6.597088 0.000000\n0.000000 5.586695 13.792716\nK Dy H C S O\n4 4 8 8 4 36\ndirect\n0.655078 0.036745 0.695808 K\n0.844922 0.036745 0.195808 K\n0.155078 0.963255 0.804192 K\n0.344922 0.963255 0.304192 K\n0.738645 0.334578 0.411146 Dy\n0.238645 0.665422 0.088854 Dy\n0.761355 0.334578 0.911146 Dy\n0.261355 0.665422 0.588854 Dy\n0.544691 0.034826 0.073324 H\n0.044691 0.965174 0.426676 H\n0.468894 0.733250 0.921895 H\n0.455309 0.965174 0.926676 H\n0.968894 0.266750 0.578105 H\n0.955309 0.034826 0.573324 H\n0.531106 0.266750 0.078105 H\n0.031106 0.733250 0.421895 H\n0.970769 0.631579 0.732119 C\n0.029231 0.368421 0.267881 C\n0.966182 0.412099 0.719785 C\n0.033818 0.587901 0.280215 C\n0.466182 0.587901 0.780215 C\n0.529231 0.631579 0.232119 C\n0.533818 0.412099 0.219785 C\n0.470769 0.368421 0.767881 C\n0.162926 0.256563 0.977714 S\n0.662926 0.743437 0.522286 S\n0.337074 0.256563 0.477714 S\n0.837074 0.743437 0.022286 S\n0.770671 0.955343 0.955676 O\n0.443445 0.778791 0.173154 O\n0.767063 0.563473 0.998275 O\n0.732937 0.563473 0.498275 O\n0.892721 0.649387 0.800559 O\n0.056555 0.778791 0.673154 O\n0.444268 0.391939 0.155438 O\n0.906315 0.179852 0.549543 O\n0.943445 0.221209 0.326846 O\n0.107279 0.350613 0.199441 O\n0.695290 0.709776 0.623994 O\n0.123300 0.732471 0.225111 O\n0.392721 0.350613 0.699441 O\n0.991282 0.252515 0.993881 O\n0.593685 0.179852 0.049543 O\n0.376700 0.732471 0.725111 O\n0.623300 0.267529 0.274889 O\n0.804710 0.709776 0.123994 O\n0.093685 0.820148 0.450457 O\n0.304710 0.290224 0.376006 O\n0.944268 0.608061 0.344562 O\n0.607279 0.649387 0.300559 O\n0.267063 0.436527 0.501725 O\n0.729329 0.955343 0.455676 O\n0.055732 0.391939 0.655438 O\n0.555732 0.608061 0.844562 O\n0.232937 0.436527 0.001725 O\n0.270671 0.044657 0.544324 O\n0.876700 0.267529 0.774889 O\n0.508718 0.252515 0.493881 O\n0.008718 0.747485 0.006119 O\n0.229329 0.044657 0.044324 O\n0.195290 0.290224 0.876006 O\n0.406315 0.820148 0.950457 O\n0.556555 0.221209 0.826846 O\n0.491282 0.747485 0.506119 O\n",
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{
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{
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{
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}