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{
"id": "mp-1214449",
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"structure_string": "Ba4 Fe4 P4 O16 F8\n1.0\n12.977592 0.000000 0.000000\n0.000000 5.289079 0.000000\n0.000000 3.768599 7.123452\nBa Fe P O F\n4 4 4 16 8\ndirect\n0.700985 0.350641 0.185727 Ba\n0.299015 0.649359 0.814273 Ba\n0.200985 0.649359 0.314273 Ba\n0.799015 0.350641 0.685727 Ba\n0.000000 0.500000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.885781 0.872730 0.195439 P\n0.114219 0.127270 0.804561 P\n0.385781 0.127270 0.304561 P\n0.614219 0.872730 0.695439 P\n0.906836 0.731100 0.067979 O\n0.093164 0.268900 0.932021 O\n0.406836 0.268900 0.432021 O\n0.593164 0.731100 0.567979 O\n0.383738 0.793044 0.437233 O\n0.616262 0.206956 0.562767 O\n0.883738 0.206956 0.062767 O\n0.116262 0.793044 0.937233 O\n0.972291 0.800213 0.345359 O\n0.027709 0.199787 0.654641 O\n0.472291 0.199787 0.154641 O\n0.527709 0.800213 0.845359 O\n0.780037 0.778519 0.288113 O\n0.219963 0.221481 0.711887 O\n0.280037 0.221481 0.211887 O\n0.719963 0.778519 0.788113 O\n0.362076 0.832372 0.053526 F\n0.637924 0.167628 0.946474 F\n0.862076 0.167628 0.446474 F\n0.137924 0.832372 0.553526 F\n0.557052 0.682482 0.236381 F\n0.442948 0.317518 0.763619 F\n0.057052 0.317518 0.263619 F\n0.942948 0.682482 0.736381 F\n",
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{
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{
"id": "mp-1210623",
"created_at": "2022-09-04T14:48:26.685848Z",
"structure_string": "Mg4 Ga4 B4 O16\n1.0\n3.113641 0.000000 0.000000\n0.000000 9.315585 0.000000\n0.000000 0.000000 9.400299\nMg Ga B O\n4 4 4 16\ndirect\n0.250000 0.603926 0.187348 Mg\n0.750000 0.396074 0.812652 Mg\n0.750000 0.896074 0.687348 Mg\n0.250000 0.103926 0.312652 Mg\n0.250000 0.615417 0.570202 Ga\n0.750000 0.384583 0.429798 Ga\n0.750000 0.884583 0.070202 Ga\n0.250000 0.115417 0.929798 Ga\n0.250000 0.663710 0.872944 B\n0.750000 0.336290 0.127056 B\n0.750000 0.836290 0.372944 B\n0.250000 0.163710 0.627056 B\n0.250000 0.008018 0.114409 O\n0.750000 0.991982 0.885591 O\n0.750000 0.491982 0.614409 O\n0.250000 0.508018 0.385591 O\n0.250000 0.520012 0.870764 O\n0.750000 0.479988 0.129236 O\n0.750000 0.979988 0.370764 O\n0.250000 0.020012 0.629236 O\n0.250000 0.740840 0.003119 O\n0.750000 0.259160 0.996881 O\n0.750000 0.759160 0.503119 O\n0.250000 0.240840 0.496881 O\n0.250000 0.741592 0.743999 O\n0.750000 0.258408 0.256001 O\n0.750000 0.758408 0.243999 O\n0.250000 0.241592 0.756001 O\n",
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{
"id": "mp-699473",
"created_at": "2022-09-04T14:48:21.001176Z",
"structure_string": "Li4 B24 H52 O14\n1.0\n4.686628 -6.081676 0.000000\n4.686628 6.081676 0.000000\n0.000000 0.000000 14.781186\nLi B H O\n4 24 52 14\ndirect\n0.814869 0.090957 0.250000 Li\n0.909043 0.185131 0.750000 Li\n0.185131 0.909043 0.750000 Li\n0.090957 0.814869 0.250000 Li\n0.320391 0.320391 0.984746 B\n0.679609 0.679609 0.015254 B\n0.320391 0.320391 0.515254 B\n0.679609 0.679609 0.484746 B\n0.398669 0.398669 0.094479 B\n0.601331 0.601331 0.905521 B\n0.398669 0.398669 0.405521 B\n0.601331 0.601331 0.594479 B\n0.489743 0.636359 0.089090 B\n0.363641 0.510257 0.910910 B\n0.489743 0.636359 0.410910 B\n0.363641 0.510257 0.589090 B\n0.510257 0.363641 0.910910 B\n0.636359 0.489743 0.089090 B\n0.510257 0.363641 0.589090 B\n0.636359 0.489743 0.410910 B\n0.531731 0.295148 0.024377 B\n0.704852 0.468269 0.975623 B\n0.531731 0.295148 0.475623 B\n0.704852 0.468269 0.524377 B\n0.468269 0.704852 0.975623 B\n0.295148 0.531731 0.024377 B\n0.468269 0.704852 0.524377 B\n0.295148 0.531731 0.475623 B\n0.762372 0.762372 0.197656 H\n0.237628 0.237628 0.802344 H\n0.762372 0.762372 0.302344 H\n0.237628 0.237628 0.697656 H\n0.162218 0.521449 0.197569 H\n0.478551 0.837782 0.802431 H\n0.162218 0.521449 0.302431 H\n0.478551 0.837782 0.697569 H\n0.837782 0.478551 0.802431 H\n0.521449 0.162218 0.197569 H\n0.837782 0.478551 0.697569 H\n0.521449 0.162218 0.302431 H\n0.213640 0.036250 0.393501 H\n0.963750 0.786360 0.606499 H\n0.213640 0.036250 0.106499 H\n0.963750 0.786360 0.893501 H\n0.786360 0.963750 0.606499 H\n0.036250 0.213640 0.393501 H\n0.786360 0.963750 0.893501 H\n0.036250 0.213640 0.106499 H\n0.244141 0.846466 0.406402 H\n0.153534 0.755859 0.593598 H\n0.244141 0.846466 0.093598 H\n0.153534 0.755859 0.906402 H\n0.755859 0.153534 0.593598 H\n0.846466 0.244141 0.406402 H\n0.755859 0.153534 0.906402 H\n0.846466 0.244141 0.093598 H\n0.193047 0.193047 0.973915 H\n0.806953 0.806953 0.026085 H\n0.193047 0.193047 0.526085 H\n0.806953 0.806953 0.473915 H\n0.325244 0.325244 0.161892 H\n0.674756 0.674756 0.838108 H\n0.325244 0.325244 0.338108 H\n0.674756 0.674756 0.661892 H\n0.480100 0.732979 0.151730 H\n0.267021 0.519900 0.848270 H\n0.480100 0.732979 0.348270 H\n0.267021 0.519900 0.651730 H\n0.519900 0.267021 0.848270 H\n0.732979 0.480100 0.151730 H\n0.519900 0.267021 0.651730 H\n0.732979 0.480100 0.348270 H\n0.556600 0.149844 0.041352 H\n0.850156 0.443400 0.958648 H\n0.556600 0.149844 0.458648 H\n0.850156 0.443400 0.541352 H\n0.443400 0.850156 0.958648 H\n0.149844 0.556600 0.041352 H\n0.443400 0.850156 0.541352 H\n0.149844 0.556600 0.458648 H\n0.826800 0.826800 0.250000 O\n0.173200 0.173200 0.750000 O\n0.112597 0.569116 0.250000 O\n0.430884 0.887403 0.750000 O\n0.887403 0.430884 0.750000 O\n0.569116 0.112597 0.250000 O\n0.179950 0.914259 0.368926 O\n0.085741 0.820050 0.631074 O\n0.179950 0.914259 0.131074 O\n0.085741 0.820050 0.868926 O\n0.820050 0.085741 0.631074 O\n0.914259 0.179950 0.368926 O\n0.820050 0.085741 0.868926 O\n0.914259 0.179950 0.131074 O\n",
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"formula_full": "Li4 B24 H52 O14",
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{
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"created_at": "2022-09-04T14:48:22.927527Z",
"structure_string": "Ba6 Fe4 Cl4 O10\n1.0\n-0.002629 -0.011159 8.778337\n8.275453 0.011164 -2.928590\n-4.129965 7.169001 -2.933983\nBa Fe Cl O\n6 4 4 10\ndirect\n0.405484 0.250001 0.655485 Ba\n0.655912 0.405913 0.249999 Ba\n0.749999 0.844371 0.094374 Ba\n0.094516 0.750000 0.844515 Ba\n0.250002 0.655628 0.405626 Ba\n0.844088 0.094086 0.750001 Ba\n0.308878 0.499010 0.999644 Fe\n0.500636 0.000991 0.309868 Fe\n0.191124 0.190764 0.190131 Fe\n0.999366 0.309237 0.500359 Fe\n0.614245 0.614224 0.614146 Cl\n0.500077 0.000097 0.885855 Cl\n0.885760 0.499903 0.999981 Cl\n0.999924 0.885775 0.500021 Cl\n0.520854 0.499735 0.999959 O\n0.500224 0.000264 0.521122 O\n0.999779 0.520916 0.500044 O\n0.979133 0.979087 0.978867 O\n0.141822 0.250001 0.391822 O\n0.249997 0.390338 0.140346 O\n0.358178 0.750001 0.108178 O\n0.390827 0.140826 0.249999 O\n0.750006 0.109659 0.359657 O\n0.109171 0.359173 0.749998 O\n",
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{
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"structure_string": "Cs2 B2 C6 N2 O4 F18\n1.0\n6.531440 0.000000 0.000000\n-0.238007 7.909502 0.000000\n-1.247462 -0.311799 9.825233\nCs B C N O F\n2 2 6 2 4 18\ndirect\n0.990326 0.263915 0.804631 Cs\n0.009674 0.736085 0.195369 Cs\n0.617628 0.235868 0.255312 B\n0.382372 0.764132 0.744688 B\n0.254577 0.690289 0.600722 C\n0.745423 0.309711 0.399278 C\n0.569225 0.638835 0.800765 C\n0.430775 0.361165 0.199235 C\n0.475565 0.957039 0.728082 C\n0.524435 0.042961 0.271918 C\n0.220109 0.767886 0.853882 N\n0.779891 0.232114 0.146118 N\n0.140217 0.902660 0.883319 O\n0.176008 0.632512 0.907169 O\n0.823992 0.367488 0.092831 O\n0.859783 0.097340 0.116681 O\n0.084464 0.782493 0.556569 F\n0.372699 0.687668 0.495646 F\n0.635894 0.961538 0.650657 F\n0.553776 0.036179 0.850875 F\n0.627301 0.312332 0.504354 F\n0.488441 0.529243 0.191872 F\n0.511559 0.470757 0.808128 F\n0.364106 0.038462 0.349343 F\n0.341782 0.312549 0.069290 F\n0.728181 0.638906 0.721972 F\n0.271819 0.361094 0.278028 F\n0.658218 0.687451 0.930710 F\n0.820601 0.473594 0.391259 F\n0.667084 0.934387 0.332683 F\n0.446224 0.963821 0.149125 F\n0.915536 0.217507 0.443431 F\n0.332916 0.065613 0.667317 F\n0.179399 0.526406 0.608741 F\n",
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{
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{
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"structure_string": "Rb2 Ba8 Ca1 Sb6 O2\n1.0\n8.416777 -0.319144 -3.990720\n-2.338251 8.726434 -4.208538\n-0.102184 -0.409435 10.499798\nRb Ba Ca Sb O\n2 8 1 6 2\ndirect\n0.044463 0.036222 0.058728 Rb\n0.494422 0.492496 0.002327 Rb\n0.494539 0.689868 0.690478 Ba\n0.196866 0.981683 0.679094 Ba\n0.795881 0.023048 0.338694 Ba\n0.068494 0.490974 0.673226 Ba\n0.512354 0.317150 0.301289 Ba\n0.683328 0.056492 0.697705 Ba\n0.967927 0.518033 0.258817 Ba\n0.278583 0.772693 0.260570 Ba\n0.754113 0.412306 0.743865 Ca\n0.860547 0.723225 0.060126 Sb\n0.624569 0.105669 0.010988 Sb\n0.082034 0.329791 0.933450 Sb\n0.383385 0.892401 0.000630 Sb\n0.339643 0.254087 0.540916 Sb\n0.753064 0.722140 0.483893 Sb\n0.775871 0.312437 0.519431 O\n0.254204 0.740713 0.483273 O\n",
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