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{
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{
"id": "mp-754320",
"created_at": "2022-09-04T14:39:39.556364Z",
"structure_string": "Li4 Mn2 P2 C2 O14\n1.0\n5.024292 0.000000 0.000000\n-0.009345 6.460194 0.000000\n-0.548878 -0.123339 8.431195\nLi Mn P C O\n4 2 2 2 14\ndirect\n0.744056 0.960914 0.265148 Li\n0.744150 0.532815 0.263693 Li\n0.254230 0.468563 0.732496 Li\n0.775482 0.235499 0.891885 Li\n0.192908 0.248232 0.336255 Mn\n0.809412 0.753957 0.675618 Mn\n0.266556 0.745480 0.416551 P\n0.718161 0.255553 0.584259 P\n0.290522 0.259236 0.044101 C\n0.725636 0.742152 0.959487 C\n0.040727 0.249485 0.069473 O\n0.656230 0.743968 0.100735 O\n0.458432 0.245066 0.174593 O\n0.157584 0.939806 0.327076 O\n0.157904 0.557548 0.313750 O\n0.834912 0.248978 0.416374 O\n0.577252 0.746509 0.434773 O\n0.415411 0.287369 0.553666 O\n0.159459 0.735524 0.584057 O\n0.789834 0.064545 0.683187 O\n0.841110 0.434168 0.690164 O\n0.544101 0.736292 0.836940 O\n0.387588 0.282888 0.911420 O\n0.968004 0.749266 0.918076 O\n",
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{
"id": "mp-767279",
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"structure_string": "Li4 Dy2 P2 C2 O14\n1.0\n6.763411 0.000000 0.000000\n0.000000 4.922551 0.000000\n0.000000 0.536152 9.123824\nLi Dy P C O\n4 2 2 2 14\ndirect\n0.981578 0.800402 0.801008 Li\n0.518422 0.800402 0.801008 Li\n0.481578 0.199598 0.198992 Li\n0.018422 0.199598 0.198992 Li\n0.250000 0.261557 0.634207 Dy\n0.750000 0.738443 0.365793 Dy\n0.750000 0.271648 0.594786 P\n0.250000 0.728352 0.405214 P\n0.250000 0.257625 0.935175 C\n0.750000 0.742375 0.064825 C\n0.750000 0.729643 0.926383 O\n0.250000 0.026677 0.870684 O\n0.250000 0.478786 0.846031 O\n0.935513 0.137369 0.665382 O\n0.564487 0.137369 0.665382 O\n0.250000 0.761479 0.575655 O\n0.750000 0.584844 0.609591 O\n0.250000 0.415156 0.390409 O\n0.750000 0.238521 0.424345 O\n0.435513 0.862631 0.334618 O\n0.064487 0.862631 0.334618 O\n0.750000 0.521214 0.153969 O\n0.750000 0.973323 0.129316 O\n0.250000 0.270357 0.073617 O\n",
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],
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"density": 3.622840686210201,
"density_atomic": 0.07900932268848068,
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"volume_molar": 7.62206351742085,
"formula_full": "Li4 Dy2 P2 C2 O14",
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},
{
"id": "mp-1221116",
"created_at": "2022-09-04T14:39:46.006818Z",
"structure_string": "Na4 Co4 P8 H4 O28\n1.0\n-6.605357 -0.033124 -0.224909\n-0.585238 6.197016 -2.600941\n0.611312 -6.131510 -10.553766\nNa Co P H O\n4 4 8 4 28\ndirect\n0.618097 0.371493 0.118489 Na\n0.618042 0.871488 0.618459 Na\n0.337443 0.108092 0.343916 Na\n0.337512 0.608162 0.843980 Na\n0.149179 0.256733 0.640573 Co\n0.851649 0.740717 0.356442 Co\n0.149164 0.756679 0.140539 Co\n0.851642 0.240503 0.856325 Co\n0.118348 0.219002 0.081025 P\n0.118468 0.719011 0.581038 P\n0.880073 0.281863 0.418830 P\n0.880027 0.781852 0.918826 P\n0.643475 0.847632 0.130790 P\n0.643475 0.347765 0.630795 P\n0.356121 0.651214 0.369215 P\n0.356130 0.151165 0.869241 P\n0.287599 0.416131 0.216167 H\n0.287733 0.916038 0.716216 H\n0.712295 0.089124 0.285842 H\n0.712331 0.589209 0.785842 H\n0.209108 0.417406 0.135542 O\n0.209309 0.917341 0.635546 O\n0.792085 0.082816 0.362471 O\n0.791977 0.582857 0.862452 O\n0.590265 0.060330 0.190886 O\n0.590223 0.560460 0.690846 O\n0.403114 0.438957 0.307007 O\n0.403277 0.938884 0.807072 O\n0.829837 0.738533 0.184055 O\n0.829892 0.238781 0.684083 O\n0.174063 0.766682 0.315587 O\n0.173996 0.266470 0.815543 O\n0.113497 0.072136 0.164148 O\n0.113432 0.572150 0.664153 O\n0.889974 0.429397 0.336956 O\n0.890028 0.929355 0.836934 O\n0.466168 0.717474 0.115166 O\n0.466250 0.217513 0.615215 O\n0.536072 0.777703 0.388072 O\n0.535978 0.277784 0.888077 O\n0.712935 0.882258 0.008869 O\n0.712948 0.382247 0.508850 O\n0.284626 0.616048 0.490517 O\n0.284575 0.116035 0.990544 O\n0.921846 0.277303 0.021793 O\n0.921964 0.777454 0.521838 O\n0.076695 0.219340 0.477128 O\n0.076664 0.719410 0.977100 O\n",
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],
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"formula_full": "Na4 Co4 P8 H4 O28",
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"spacegroup": 1
},
{
"id": "mp-767550",
"created_at": "2022-09-04T14:40:19.732620Z",
"structure_string": "Na4 Ti2 P2 C2 O14\n1.0\n6.557420 0.000000 0.000000\n0.000000 5.290112 0.000000\n0.000000 0.045666 9.063831\nNa Ti P C O\n4 2 2 2 14\ndirect\n0.998317 0.764088 0.768944 Na\n0.501683 0.764088 0.768944 Na\n0.498317 0.235912 0.231056 Na\n0.001683 0.235912 0.231056 Na\n0.250000 0.219740 0.652156 Ti\n0.750000 0.780260 0.347844 Ti\n0.750000 0.292171 0.574306 P\n0.250000 0.707829 0.425694 P\n0.250000 0.271706 0.927498 C\n0.750000 0.728294 0.072502 C\n0.750000 0.709273 0.935217 O\n0.250000 0.052119 0.857846 O\n0.250000 0.467224 0.835158 O\n0.942924 0.212173 0.662705 O\n0.557076 0.212173 0.662705 O\n0.250000 0.843129 0.577390 O\n0.750000 0.585234 0.553547 O\n0.250000 0.414766 0.446453 O\n0.750000 0.156871 0.422610 O\n0.442924 0.787827 0.337295 O\n0.057076 0.787827 0.337295 O\n0.750000 0.532776 0.164842 O\n0.750000 0.947881 0.142154 O\n0.250000 0.290727 0.064783 O\n",
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],
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"density": 2.628249445613305,
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"formula_full": "Na4 Ti2 P2 C2 O14",
"formula_reduced": "Na2TiPCO7",
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},
{
"id": "mp-768042",
"created_at": "2022-09-04T14:40:19.757154Z",
"structure_string": "Na8 Fe4 P4 C4 O28\n1.0\n6.526541 0.000000 0.000000\n0.000000 10.356028 0.000000\n0.000000 5.280341 9.084056\nNa Fe P C O\n8 4 4 4 28\ndirect\n0.257957 0.080158 0.328280 Na\n0.242043 0.080158 0.828280 Na\n0.012835 0.263497 0.491475 Na\n0.487165 0.263497 0.991475 Na\n0.987165 0.736503 0.508525 Na\n0.512835 0.736503 0.008525 Na\n0.742043 0.919842 0.671720 Na\n0.757957 0.919842 0.171720 Na\n0.746595 0.346065 0.685197 Fe\n0.753405 0.346065 0.185197 Fe\n0.253405 0.653935 0.314803 Fe\n0.246595 0.653935 0.814803 Fe\n0.249662 0.424340 0.683057 P\n0.250338 0.424340 0.183057 P\n0.750338 0.575660 0.316943 P\n0.749662 0.575660 0.816943 P\n0.751598 0.065189 0.352055 C\n0.748402 0.065189 0.852055 C\n0.248402 0.934811 0.647945 C\n0.251598 0.934811 0.147945 C\n0.238448 0.075060 0.564946 O\n0.261552 0.075060 0.064946 O\n0.767593 0.129096 0.708314 O\n0.732407 0.129096 0.208314 O\n0.759761 0.158016 0.402579 O\n0.740239 0.158016 0.902579 O\n0.061816 0.325275 0.697852 O\n0.438865 0.323446 0.709652 O\n0.061135 0.323446 0.209652 O\n0.438184 0.325275 0.197852 O\n0.751830 0.431069 0.469583 O\n0.748170 0.431069 0.969583 O\n0.250496 0.468856 0.304712 O\n0.249504 0.468856 0.804712 O\n0.749504 0.531144 0.695288 O\n0.750496 0.531144 0.195288 O\n0.248170 0.568931 0.530417 O\n0.251830 0.568931 0.030417 O\n0.561135 0.676554 0.290348 O\n0.938184 0.674725 0.302148 O\n0.938865 0.676554 0.790348 O\n0.561816 0.674725 0.802148 O\n0.240239 0.841984 0.597421 O\n0.259761 0.841984 0.097421 O\n0.232407 0.870904 0.291686 O\n0.267593 0.870904 0.791686 O\n0.761552 0.924940 0.435054 O\n0.738448 0.924940 0.935054 O\n",
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{
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"structure_string": "Li4 Tm2 P2 C2 O14\n1.0\n6.746732 0.000000 0.000000\n0.000000 4.901685 0.000000\n0.000000 0.440509 8.957448\nLi Tm P C O\n4 2 2 2 14\ndirect\n0.986765 0.792630 0.793900 Li\n0.513235 0.792630 0.793900 Li\n0.486765 0.207370 0.206100 Li\n0.013235 0.207370 0.206100 Li\n0.250000 0.249384 0.641365 Tm\n0.750000 0.750616 0.358635 Tm\n0.750000 0.278917 0.588648 P\n0.250000 0.721083 0.411352 P\n0.250000 0.260606 0.942586 C\n0.750000 0.739394 0.057414 C\n0.750000 0.719670 0.916781 O\n0.250000 0.025654 0.878474 O\n0.250000 0.478302 0.849449 O\n0.935792 0.150193 0.663273 O\n0.564208 0.150193 0.663273 O\n0.250000 0.768322 0.584036 O\n0.750000 0.594809 0.598107 O\n0.250000 0.405191 0.401893 O\n0.750000 0.231678 0.415964 O\n0.435792 0.849807 0.336727 O\n0.064208 0.849807 0.336727 O\n0.750000 0.521698 0.150551 O\n0.750000 0.974346 0.121526 O\n0.250000 0.280330 0.083219 O\n",
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{
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"structure_string": "Na4 Cu2 B2 S2 O14\n1.0\n7.339880 0.000000 0.000000\n0.000000 5.069732 0.000000\n0.000000 0.208907 8.758934\nNa Cu B S O\n4 2 2 2 14\ndirect\n0.501857 0.768042 0.769503 Na\n0.998143 0.768042 0.769503 Na\n0.498143 0.231958 0.230497 Na\n0.001857 0.231958 0.230497 Na\n0.250000 0.225957 0.655405 Cu\n0.750000 0.774043 0.344595 Cu\n0.250000 0.274018 0.925781 B\n0.750000 0.725982 0.074219 B\n0.750000 0.278269 0.579104 S\n0.250000 0.721731 0.420896 S\n0.750000 0.712146 0.924207 O\n0.250000 0.042381 0.842363 O\n0.250000 0.476262 0.813470 O\n0.916027 0.214976 0.665867 O\n0.583973 0.214976 0.665867 O\n0.250000 0.860063 0.571797 O\n0.750000 0.573990 0.539278 O\n0.250000 0.426010 0.460722 O\n0.750000 0.139937 0.428203 O\n0.416027 0.785024 0.334133 O\n0.083973 0.785024 0.334133 O\n0.750000 0.523738 0.186530 O\n0.750000 0.957619 0.157637 O\n0.250000 0.287854 0.075793 O\n",
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{
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"structure_string": "La4 H8 S4 N4 O28\n1.0\n7.557837 0.000000 0.000000\n0.000000 7.557837 0.000000\n0.000000 0.000000 12.444310\nLa H S N O\n4 8 4 4 28\ndirect\n0.789572 0.363551 0.539342 La\n0.210428 0.636449 0.039342 La\n0.363551 0.210428 0.289342 La\n0.636449 0.789572 0.789342 La\n0.597247 0.075846 0.926858 H\n0.402753 0.924154 0.426858 H\n0.075846 0.402753 0.676858 H\n0.924154 0.597247 0.176858 H\n0.531916 0.572472 0.962740 H\n0.468084 0.427528 0.462740 H\n0.572472 0.468084 0.712740 H\n0.427528 0.531916 0.212740 H\n0.236540 0.583184 0.751703 S\n0.763460 0.416816 0.251703 S\n0.583184 0.763460 0.501703 S\n0.416816 0.236540 0.001703 S\n0.910701 0.083890 0.745209 N\n0.089299 0.916110 0.245209 N\n0.083890 0.089299 0.495209 N\n0.916110 0.910701 0.995209 N\n0.099966 0.529820 0.657993 O\n0.900034 0.470180 0.157993 O\n0.529820 0.900034 0.407993 O\n0.470180 0.099966 0.907993 O\n0.362523 0.437986 0.757038 O\n0.637477 0.562014 0.257038 O\n0.437986 0.637477 0.507038 O\n0.562014 0.362523 0.007038 O\n0.314878 0.753169 0.720963 O\n0.685122 0.246831 0.220963 O\n0.753169 0.685122 0.470963 O\n0.246831 0.314878 0.970963 O\n0.123938 0.600883 0.848011 O\n0.876062 0.399117 0.348011 O\n0.600883 0.876062 0.598011 O\n0.399117 0.123938 0.098011 O\n0.746706 0.103860 0.720493 O\n0.253294 0.896140 0.220493 O\n0.103860 0.253294 0.470493 O\n0.896140 0.746706 0.970493 O\n0.012322 0.197034 0.704443 O\n0.987678 0.802966 0.204443 O\n0.197034 0.987678 0.454443 O\n0.802966 0.012322 0.954443 O\n0.524933 0.311708 0.444517 O\n0.475067 0.688292 0.944517 O\n0.311708 0.475067 0.194517 O\n0.688292 0.524933 0.694517 O\n",
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