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{
"id": "mp-23764",
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"structure_string": "Mg3 Si2 H4 O9\n1.0\n2.685694 -4.651758 0.000000\n2.685694 4.651758 0.000000\n0.000000 0.000000 7.377575\nMg Si H O\n3 2 4 9\ndirect\n0.331419 0.000000 0.458842 Mg\n0.000000 0.331419 0.458842 Mg\n0.668581 0.668581 0.458842 Mg\n0.333333 0.666667 0.077194 Si\n0.666667 0.333333 0.077194 Si\n0.000000 0.000000 0.176963 H\n0.349481 0.349481 0.722802 H\n0.000000 0.650519 0.722802 H\n0.650519 0.000000 0.722802 H\n0.000000 0.000000 0.308063 O\n0.333333 0.666667 0.295373 O\n0.666667 0.333333 0.295373 O\n0.511409 0.000000 0.994115 O\n0.000000 0.511409 0.994115 O\n0.488591 0.488591 0.994115 O\n0.664647 0.000000 0.591488 O\n0.000000 0.664647 0.591488 O\n0.335353 0.335353 0.591488 O\n",
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{
"id": "mp-1245202",
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"structure_string": "In40 O60\n1.0\n11.483386 -0.049829 -0.627868\n-0.066072 11.701189 -0.206708\n-0.629939 -0.184232 11.073846\nIn O\n40 60\ndirect\n0.453403 0.922392 0.773193 In\n0.757523 0.757784 0.258609 In\n0.048196 0.613511 0.395554 In\n0.859319 0.263368 0.994008 In\n0.852619 0.619556 0.878079 In\n0.523881 0.790947 0.507036 In\n0.827968 0.434832 0.260139 In\n0.432703 0.215433 0.837441 In\n0.447942 0.407534 0.577835 In\n0.986110 0.861495 0.481860 In\n0.178207 0.022361 0.605663 In\n0.636177 0.601476 0.041416 In\n0.163465 0.247422 0.932911 In\n0.112816 0.153798 0.205858 In\n0.301486 0.611898 0.270497 In\n0.471537 0.109892 0.534495 In\n0.642540 0.986410 0.002162 In\n0.794686 0.599930 0.554261 In\n0.271444 0.683797 0.607967 In\n0.548787 0.654560 0.767568 In\n0.310593 0.703021 0.977721 In\n0.073799 0.782187 0.788148 In\n0.594925 0.278932 0.132051 In\n0.244553 0.885059 0.315109 In\n0.574334 0.544774 0.323869 In\n0.509400 0.866633 0.229044 In\n0.088196 0.469210 0.084341 In\n0.956978 0.805945 0.118363 In\n0.345349 0.303504 0.270933 In\n0.952534 0.116028 0.571430 In\n0.290401 0.984008 0.006299 In\n0.665359 0.286611 0.467192 In\n0.159675 0.460156 0.749079 In\n0.901281 0.351817 0.716217 In\n0.742792 0.873861 0.745747 In\n0.810503 0.113231 0.253710 In\n0.085110 0.327585 0.438592 In\n0.391517 0.445994 0.003279 In\n0.719175 0.980372 0.489233 In\n0.956933 0.981494 0.965575 In\n0.013016 0.155206 0.014204 O\n0.732458 0.165370 0.079347 O\n0.653364 0.461278 0.163640 O\n0.290489 0.358079 0.846529 O\n0.785973 0.998448 0.890707 O\n0.603785 0.823904 0.857230 O\n0.654499 0.834023 0.388684 O\n0.633009 0.461163 0.505598 O\n0.195923 0.642105 0.777162 O\n0.948103 0.765819 0.304504 O\n0.683142 0.561170 0.868035 O\n0.462778 0.608090 0.944965 O\n0.523066 0.337406 0.960816 O\n0.277856 0.122992 0.887849 O\n0.717931 0.940106 0.182196 O\n0.203247 0.003192 0.167213 O\n0.792211 0.280216 0.823162 O\n0.190788 0.306959 0.118951 O\n0.250416 0.425771 0.502960 O\n0.035056 0.632634 0.943081 O\n0.884164 0.528403 0.709906 O\n0.058826 0.661006 0.076070 O\n0.528993 0.066047 0.866339 O\n0.759752 0.593957 0.357638 O\n0.138738 0.844145 0.631410 O\n0.595493 0.949045 0.618912 O\n0.414744 0.467629 0.222935 O\n0.123485 0.966593 0.416895 O\n0.827133 0.242929 0.565220 O\n0.908915 0.416021 0.098088 O\n0.415796 0.550006 0.676414 O\n0.580508 0.697635 0.191816 O\n0.957945 0.691425 0.537100 O\n0.424172 0.776838 0.655522 O\n0.671237 0.710872 0.631309 O\n0.803763 0.690042 0.077477 O\n0.438760 0.207151 0.159019 O\n0.063982 0.321466 0.634870 O\n0.728922 0.281288 0.295133 O\n0.955769 0.454267 0.408990 O\n0.873199 0.019655 0.403802 O\n0.212163 0.719176 0.412124 O\n0.109679 0.928778 0.902199 O\n0.318741 0.769813 0.173535 O\n0.183210 0.518738 0.559251 O\n0.472760 0.957269 0.076514 O\n0.355477 0.032707 0.638760 O\n0.450849 0.641985 0.408448 O\n0.893776 0.780684 0.813331 O\n0.323077 0.848422 0.879917 O\n0.253112 0.548376 0.044604 O\n0.970570 0.214205 0.289878 O\n0.464698 0.287860 0.433449 O\n0.142022 0.518320 0.270593 O\n0.051938 0.387716 0.886237 O\n0.614056 0.113760 0.432385 O\n0.422243 0.916761 0.385999 O\n0.214700 0.225265 0.364580 O\n0.867376 0.945606 0.619027 O\n0.483194 0.251654 0.667703 O\n",
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"elements": [
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"chemical_system": "In-O",
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"volume": 1482.8686627786542,
"volume_molar": 8.930043815846028,
"formula_full": "In40 O60",
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{
"id": "mp-1361586",
"created_at": "2022-09-04T14:39:30.059460Z",
"structure_string": "Al8 Fe6 O24\n1.0\n5.784452 0.010898 -0.000805\n2.901601 5.003530 0.001366\n8.685406 5.018864 14.195137\nAl Fe O\n8 6 24\ndirect\n0.505017 0.993851 0.502055 Al\n0.496733 0.001550 0.168730 Al\n0.499661 0.498994 0.334671 Al\n0.999916 0.498522 0.168616 Al\n0.008147 0.503698 0.828610 Al\n0.996606 0.502593 0.501975 Al\n0.502929 0.503635 0.829618 Al\n0.502979 0.009265 0.828440 Al\n0.124973 0.127165 0.038092 Fe\n0.506295 0.508090 0.995540 Fe\n0.122815 0.121773 0.375433 Fe\n0.121734 0.122239 0.712022 Fe\n0.876572 0.876813 0.295549 Fe\n0.882033 0.879387 0.618742 Fe\n0.253050 0.255008 0.090273 O\n0.242787 0.244146 0.241933 O\n0.229561 0.728244 0.080928 O\n0.726124 0.231633 0.081054 O\n0.266115 0.264217 0.417343 O\n0.278233 0.755107 0.253439 O\n0.754594 0.278860 0.253261 O\n0.239571 0.236841 0.576594 O\n0.245092 0.720274 0.414240 O\n0.736716 0.738923 0.105410 O\n0.721673 0.243383 0.414200 O\n0.739704 0.740633 0.250749 O\n0.239060 0.240247 0.765721 O\n0.257261 0.786193 0.576274 O\n0.789248 0.254612 0.576340 O\n0.263204 0.264137 0.903848 O\n0.237798 0.725016 0.767375 O\n0.751413 0.749228 0.428051 O\n0.724433 0.238569 0.767410 O\n0.758565 0.755669 0.570506 O\n0.308300 0.735334 0.907972 O\n0.734026 0.309308 0.908173 O\n0.744109 0.744787 0.755517 O\n0.735216 0.736304 0.908193 O\n",
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"elements": [
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"density": 3.7829585311122607,
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"formula_full": "Al8 Fe6 O24",
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{
"id": "mp-1640674",
"created_at": "2022-09-04T14:39:16.377605Z",
"structure_string": "Li8 Ti6 Co6 O24\n1.0\n5.289348 1.501441 -2.573242\n-1.683742 -8.195956 -5.104468\n-5.273515 3.058256 -5.075273\nLi Ti Co O\n8 6 6 24\ndirect\n0.333625 0.749517 0.582020 Li\n0.323763 0.246325 0.085797 Li\n0.331886 0.997710 0.332835 Li\n0.335440 0.500213 0.832191 Li\n0.008939 0.230392 0.770578 Li\n0.015353 0.732979 0.266094 Li\n0.652559 0.263199 0.403539 Li\n0.657221 0.770068 0.897030 Li\n0.828947 0.751438 0.577931 Ti\n0.820869 0.255794 0.080194 Ti\n0.144064 0.255330 0.419426 Ti\n0.147540 0.755528 0.918958 Ti\n0.511962 0.241963 0.738288 Ti\n0.517382 0.741514 0.237089 Ti\n0.834971 0.000442 0.332572 Co\n0.170313 0.498919 0.165973 Co\n0.497650 0.500294 0.501880 Co\n0.835888 0.500620 0.832401 Co\n0.168580 0.998689 0.666120 Co\n0.497576 0.001491 0.002030 Co\n0.288768 0.125240 0.867946 O\n0.292550 0.625277 0.366301 O\n0.378611 0.875486 0.800919 O\n0.376556 0.374433 0.302045 O\n0.270833 0.364434 0.625806 O\n0.271558 0.863222 0.124902 O\n0.401170 0.134724 0.543585 O\n0.402203 0.634047 0.041889 O\n0.070214 0.869656 0.472229 O\n0.066270 0.368942 0.974403 O\n0.598133 0.131725 0.196274 O\n0.601597 0.632073 0.694040 O\n0.073234 0.139129 0.228061 O\n0.076193 0.638748 0.725507 O\n0.596988 0.861870 0.441724 O\n0.593009 0.363964 0.943625 O\n0.924089 0.861893 0.782579 O\n0.920811 0.362636 0.285198 O\n0.746990 0.639196 0.382916 O\n0.742124 0.140480 0.886271 O\n0.958307 0.125982 0.550102 O\n0.960212 0.626131 0.048044 O\n0.710349 0.373736 0.620937 O\n0.711368 0.874551 0.118407 O\n",
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{
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"created_at": "2022-09-04T14:39:19.536585Z",
"structure_string": "Tc8 F32\n1.0\n5.484986 0.000000 0.000000\n0.000000 10.002398 0.000000\n0.000000 0.000000 11.781774\nTc F\n8 32\ndirect\n0.594488 0.627878 0.176101 Tc\n0.405512 0.127878 0.323899 Tc\n0.905512 0.372122 0.676101 Tc\n0.094488 0.872122 0.823899 Tc\n0.405512 0.372122 0.823899 Tc\n0.594488 0.872122 0.676101 Tc\n0.094488 0.627878 0.323899 Tc\n0.905512 0.127878 0.176101 Tc\n0.409002 0.731432 0.306397 F\n0.590998 0.231432 0.193603 F\n0.090998 0.268568 0.806397 F\n0.909002 0.768568 0.693603 F\n0.590998 0.268568 0.693603 F\n0.409002 0.768568 0.806397 F\n0.909002 0.731432 0.193603 F\n0.090998 0.231432 0.306397 F\n0.280713 0.524211 0.193911 F\n0.719287 0.024211 0.306089 F\n0.219287 0.475789 0.693911 F\n0.780713 0.975789 0.806089 F\n0.719287 0.475789 0.806089 F\n0.280713 0.975789 0.693911 F\n0.780713 0.524211 0.306089 F\n0.219287 0.024211 0.193911 F\n0.456347 0.745229 0.071577 F\n0.543653 0.245229 0.428423 F\n0.043653 0.254771 0.571577 F\n0.956347 0.754771 0.928423 F\n0.543653 0.254771 0.928423 F\n0.456347 0.754771 0.571577 F\n0.956347 0.745229 0.428423 F\n0.043653 0.245229 0.071577 F\n0.731520 0.510234 0.071494 F\n0.268480 0.010234 0.428506 F\n0.768480 0.489766 0.571494 F\n0.231520 0.989766 0.928506 F\n0.268480 0.489766 0.928506 F\n0.731520 0.989766 0.571494 F\n0.231520 0.510234 0.428506 F\n0.768480 0.010234 0.071494 F\n",
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{
"id": "mp-753456",
"created_at": "2022-09-04T14:39:26.757855Z",
"structure_string": "Ce4 Th1 O9\n1.0\n-4.375490 4.375490 2.803681\n4.375490 -4.375490 2.803681\n4.375490 4.375490 -2.803681\nCe Th O\n4 1 9\ndirect\n0.615241 0.936119 0.100687 Ce\n0.063881 0.164568 0.679122 Ce\n0.835432 0.514554 0.899313 Ce\n0.485446 0.384759 0.320878 Ce\n0.250000 0.750000 0.500000 Th\n0.500000 0.500000 0.000000 O\n0.185248 0.584677 0.782256 O\n0.597009 0.814752 0.399429 O\n0.909966 0.730569 0.631288 O\n0.099281 0.278678 0.368712 O\n0.415323 0.197580 0.600571 O\n0.721322 0.090034 0.820603 O\n0.269431 0.900719 0.179397 O\n0.802420 0.402991 0.217744 O\n",
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{
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