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{
"id": "mp-1194197",
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{
"id": "mp-1196316",
"created_at": "2022-09-04T14:45:57.430674Z",
"structure_string": "Cr56 C24\n1.0\n6.968990 -12.070644 0.000000\n6.968990 12.070644 0.000000\n0.000000 0.000000 4.476581\nCr C\n56 24\ndirect\n0.333333 0.666667 0.781983 Cr\n0.666667 0.333333 0.281983 Cr\n0.061292 0.938708 0.056079 Cr\n0.877417 0.938708 0.056079 Cr\n0.061292 0.122583 0.056079 Cr\n0.938708 0.061292 0.556079 Cr\n0.122583 0.061292 0.556079 Cr\n0.938708 0.877417 0.556079 Cr\n0.166797 0.333594 0.258221 Cr\n0.166797 0.833203 0.258221 Cr\n0.666406 0.833203 0.258221 Cr\n0.833203 0.666406 0.758221 Cr\n0.833203 0.166797 0.758221 Cr\n0.333594 0.166797 0.758221 Cr\n0.227568 0.455136 0.749022 Cr\n0.227568 0.772432 0.749022 Cr\n0.544864 0.772432 0.749022 Cr\n0.772432 0.544864 0.249022 Cr\n0.772432 0.227568 0.249022 Cr\n0.455136 0.227568 0.249022 Cr\n0.272943 0.545886 0.252750 Cr\n0.272943 0.727057 0.252750 Cr\n0.454114 0.727057 0.252750 Cr\n0.727057 0.454114 0.752750 Cr\n0.727057 0.272943 0.752750 Cr\n0.545886 0.272943 0.752750 Cr\n0.561745 0.123490 0.447973 Cr\n0.561745 0.438255 0.447973 Cr\n0.876510 0.438255 0.447973 Cr\n0.438255 0.876510 0.947973 Cr\n0.438255 0.561745 0.947973 Cr\n0.123490 0.561745 0.947973 Cr\n0.271590 0.044519 0.256830 Cr\n0.772929 0.728410 0.256830 Cr\n0.955481 0.227071 0.256830 Cr\n0.772929 0.044519 0.256830 Cr\n0.955481 0.728410 0.256830 Cr\n0.271590 0.227071 0.256830 Cr\n0.728410 0.955481 0.756830 Cr\n0.227071 0.271590 0.756830 Cr\n0.044519 0.772929 0.756830 Cr\n0.227071 0.955481 0.756830 Cr\n0.044519 0.271590 0.756830 Cr\n0.728410 0.772929 0.756830 Cr\n0.437419 0.062154 0.947449 Cr\n0.624736 0.562581 0.947449 Cr\n0.937846 0.375264 0.947449 Cr\n0.624736 0.062154 0.947449 Cr\n0.937846 0.562581 0.947449 Cr\n0.437419 0.375264 0.947449 Cr\n0.562581 0.937846 0.447449 Cr\n0.375264 0.437419 0.447449 Cr\n0.062154 0.624736 0.447449 Cr\n0.375264 0.937846 0.447449 Cr\n0.062154 0.437419 0.447449 Cr\n0.562581 0.624736 0.447449 Cr\n0.094199 0.188397 0.465567 C\n0.094199 0.905801 0.465567 C\n0.811603 0.905801 0.465567 C\n0.905801 0.811603 0.965567 C\n0.905801 0.094199 0.965567 C\n0.188397 0.094199 0.965567 C\n0.405423 0.810847 0.536656 C\n0.405423 0.594577 0.536656 C\n0.189153 0.594577 0.536656 C\n0.594577 0.189153 0.036656 C\n0.594577 0.405423 0.036656 C\n0.810847 0.405423 0.036656 C\n0.406682 0.094170 0.532125 C\n0.687489 0.593318 0.532125 C\n0.905830 0.312511 0.532125 C\n0.687489 0.094170 0.532125 C\n0.905830 0.593318 0.532125 C\n0.406682 0.312511 0.532125 C\n0.593318 0.905830 0.032125 C\n0.312511 0.406682 0.032125 C\n0.094170 0.687489 0.032125 C\n0.312511 0.905830 0.032125 C\n0.094170 0.406682 0.032125 C\n0.593318 0.687489 0.032125 C\n",
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"formula_full": "Cr56 C24",
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{
"id": "mp-27063",
"created_at": "2022-09-04T14:45:57.481821Z",
"structure_string": "Li4 Cu2 P2 O8\n1.0\n5.417681 0.000000 0.000000\n0.000000 5.057254 0.000000\n0.000000 5.057276 6.175623\nLi Cu P O\n4 2 2 8\ndirect\n0.671386 0.753216 0.747017 Li\n0.847969 0.501257 0.499900 Li\n0.152031 0.501257 0.999900 Li\n0.328614 0.753216 0.247017 Li\n0.343955 0.253713 0.755178 Cu\n0.656045 0.253713 0.255178 Cu\n0.829469 0.004726 0.999921 P\n0.170531 0.004726 0.499921 P\n0.703358 0.099512 0.791382 O\n0.296642 0.099512 0.291382 O\n0.314329 0.708194 0.707521 O\n0.685671 0.708194 0.207521 O\n0.098757 0.886281 0.010126 O\n0.169939 0.321900 0.490256 O\n0.901243 0.886281 0.510126 O\n0.830061 0.321900 0.990256 O\n",
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],
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"density_atomic": 0.09456077228337907,
"volume": 169.20335582762914,
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"formula_full": "Li4 Cu2 P2 O8",
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"energy": -102.91491561,
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{
"id": "mp-560419",
"created_at": "2022-09-04T14:45:57.570543Z",
"structure_string": "K4 Zn16 P12 O48\n1.0\n8.268992 0.000000 0.000000\n0.000000 9.788686 0.000000\n0.000000 0.000000 14.065538\nK Zn P O\n4 16 12 48\ndirect\n0.750000 0.193990 0.250000 K\n0.250000 0.806010 0.750000 K\n0.250000 0.306010 0.750000 K\n0.750000 0.693990 0.250000 K\n0.605478 0.692106 0.948942 Zn\n0.894522 0.192106 0.948942 Zn\n0.105478 0.807894 0.051058 Zn\n0.412693 0.003341 0.145249 Zn\n0.587307 0.996659 0.854751 Zn\n0.412693 0.503341 0.354751 Zn\n0.394522 0.307894 0.051058 Zn\n0.587307 0.496659 0.645249 Zn\n0.105478 0.307894 0.448942 Zn\n0.894522 0.692106 0.551058 Zn\n0.087307 0.503341 0.145249 Zn\n0.912693 0.496659 0.854751 Zn\n0.394522 0.807894 0.448942 Zn\n0.605478 0.192106 0.551058 Zn\n0.087307 0.003341 0.354751 Zn\n0.912693 0.996659 0.645249 Zn\n0.245843 0.565607 0.564793 P\n0.754157 0.434393 0.435207 P\n0.254157 0.065607 0.564793 P\n0.250000 0.246021 0.250000 P\n0.750000 0.253979 0.750000 P\n0.745843 0.934393 0.435207 P\n0.750000 0.753979 0.750000 P\n0.254157 0.565607 0.935207 P\n0.245843 0.065607 0.935207 P\n0.754157 0.934393 0.064793 P\n0.745843 0.434393 0.064793 P\n0.250000 0.746021 0.250000 P\n0.902557 0.342203 0.762842 O\n0.618606 0.324096 0.087420 O\n0.381394 0.675904 0.912580 O\n0.367474 0.563690 0.648630 O\n0.367474 0.063690 0.851370 O\n0.735518 0.156400 0.839172 O\n0.764482 0.156400 0.660828 O\n0.170820 0.423855 0.551545 O\n0.829180 0.076145 0.051545 O\n0.158961 0.108724 0.470743 O\n0.264482 0.843600 0.160828 O\n0.881394 0.324096 0.412580 O\n0.402557 0.657797 0.262842 O\n0.118606 0.175904 0.912580 O\n0.170820 0.923855 0.948455 O\n0.670820 0.076145 0.448455 O\n0.329180 0.923855 0.551545 O\n0.597443 0.842203 0.762842 O\n0.118606 0.675904 0.587420 O\n0.341039 0.108724 0.029257 O\n0.381394 0.175904 0.587420 O\n0.867474 0.936310 0.351370 O\n0.097443 0.657797 0.237158 O\n0.881394 0.824096 0.087420 O\n0.829180 0.576145 0.448455 O\n0.867474 0.436310 0.148630 O\n0.632526 0.436310 0.351370 O\n0.132526 0.563690 0.851370 O\n0.658961 0.391276 0.529257 O\n0.158961 0.608724 0.029257 O\n0.670820 0.576145 0.051545 O\n0.341039 0.608724 0.470743 O\n0.097443 0.157797 0.262842 O\n0.735518 0.656400 0.660828 O\n0.658961 0.891276 0.970743 O\n0.632526 0.936310 0.148630 O\n0.235518 0.843600 0.339172 O\n0.597443 0.342203 0.737158 O\n0.841039 0.391276 0.970743 O\n0.132526 0.063690 0.648630 O\n0.402557 0.157797 0.237158 O\n0.235518 0.343600 0.160828 O\n0.902557 0.842203 0.737158 O\n0.329180 0.423855 0.948455 O\n0.264482 0.343600 0.339172 O\n0.841039 0.891276 0.529257 O\n0.618606 0.824096 0.412580 O\n0.764482 0.656400 0.839172 O\n",
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{
"id": "mp-1280608",
"created_at": "2022-09-04T14:45:57.574895Z",
"structure_string": "Sr6 Co4 O12\n1.0\n-4.793440 2.762268 3.618461\n-0.003344 -5.604697 3.675220\n4.848975 2.798653 3.664745\nSr Co O\n6 4 12\ndirect\n0.885852 0.250962 0.616205 Sr\n0.248584 0.615545 0.884447 Sr\n0.614204 0.882121 0.248234 Sr\n0.751367 0.384547 0.115648 Sr\n0.383884 0.115639 0.749343 Sr\n0.116120 0.750245 0.384074 Sr\n0.998171 0.998471 0.002592 Co\n0.751103 0.753878 0.749233 Co\n0.501350 0.496549 0.503772 Co\n0.254019 0.258829 0.241395 Co\n0.224332 0.411166 0.537609 O\n0.407280 0.542179 0.213756 O\n0.539248 0.219682 0.413299 O\n0.908423 0.715127 0.043026 O\n0.721487 0.039120 0.915340 O\n0.035196 0.911018 0.720643 O\n0.776392 0.584895 0.461954 O\n0.591449 0.456840 0.783980 O\n0.463499 0.777505 0.590984 O\n0.091133 0.285167 0.957990 O\n0.275434 0.963734 0.088315 O\n0.961473 0.086782 0.278161 O\n",
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{
"id": "mp-1176909",
"created_at": "2022-09-04T14:45:57.576035Z",
"structure_string": "Li12 V6 P16 O58\n1.0\n4.887092 8.467268 0.000000\n-4.887092 8.467268 0.000000\n0.000000 0.017293 13.959482\nLi V P O\n12 6 16 58\ndirect\n0.762942 0.335940 0.307557 Li\n0.898587 0.762153 0.308186 Li\n0.763214 0.903092 0.816032 Li\n0.335576 0.763899 0.812475 Li\n0.329488 0.901999 0.307864 Li\n0.664060 0.237058 0.692443 Li\n0.237847 0.101413 0.691814 Li\n0.096908 0.236786 0.183968 Li\n0.236101 0.664424 0.187525 Li\n0.098001 0.670512 0.692136 Li\n0.992353 0.059546 0.767183 Li\n0.940454 0.007647 0.232817 Li\n0.561198 0.002692 0.005690 V\n0.434127 0.000237 0.498639 V\n0.568698 0.431302 0.500000 V\n0.440438 0.559562 0.000000 V\n0.997308 0.438802 0.994310 V\n0.999763 0.565873 0.501361 V\n0.917673 0.304733 0.590993 P\n0.779286 0.308426 0.092456 P\n0.912215 0.776076 0.092118 P\n0.663710 0.672104 0.882895 P\n0.666728 0.665558 0.380745 P\n0.769251 0.913357 0.596012 P\n0.695267 0.082327 0.409007 P\n0.316016 0.771940 0.591982 P\n0.691574 0.220714 0.907544 P\n0.310997 0.911122 0.092941 P\n0.223924 0.087785 0.907882 P\n0.327896 0.336290 0.117105 P\n0.334442 0.333272 0.619255 P\n0.086643 0.230749 0.403988 P\n0.228060 0.683984 0.408018 P\n0.088878 0.689003 0.907059 P\n0.001945 0.234094 0.313448 O\n0.921200 0.335106 0.089090 O\n0.780574 0.211795 0.817076 O\n0.746157 0.334290 0.592407 O\n0.920423 0.460433 0.583053 O\n0.809467 0.519660 0.925960 O\n0.921280 0.615325 0.083423 O\n0.998834 0.777651 0.818682 O\n0.916947 0.745182 0.592994 O\n0.681321 0.508453 0.421594 O\n0.622441 0.466451 0.080556 O\n0.809633 0.679241 0.423016 O\n0.657286 0.680047 0.776382 O\n0.669701 0.664507 0.273847 O\n0.675298 0.814412 0.925936 O\n0.474981 0.618778 0.576969 O\n0.512208 0.675845 0.925638 O\n0.744296 0.914864 0.092041 O\n0.790987 0.007538 0.508536 O\n0.801897 0.989566 0.328915 O\n0.765906 0.998055 0.686552 O\n0.617544 0.906240 0.577984 O\n0.509359 0.808414 0.421060 O\n0.664894 0.078800 0.910910 O\n0.470371 0.904686 0.081686 O\n0.333956 0.743061 0.094817 O\n0.799597 0.200403 0.000000 O\n0.788205 0.219426 0.182924 O\n0.226824 0.771212 0.318470 O\n0.665710 0.253843 0.407593 O\n0.539567 0.079577 0.416947 O\n0.336198 0.919527 0.590927 O\n0.480340 0.190533 0.074040 O\n0.384675 0.078720 0.916577 O\n0.216053 0.000027 0.819094 O\n0.222349 0.001166 0.181318 O\n0.203157 0.997079 0.000246 O\n0.254818 0.083053 0.407006 O\n0.491547 0.318679 0.578406 O\n0.533549 0.377559 0.919444 O\n0.320759 0.190367 0.576984 O\n0.335493 0.330299 0.726153 O\n0.319953 0.342714 0.223618 O\n0.185588 0.324702 0.074064 O\n0.381222 0.525019 0.423031 O\n0.324155 0.487792 0.074362 O\n0.085136 0.255704 0.907959 O\n0.992462 0.209013 0.491464 O\n0.010434 0.198103 0.671085 O\n0.093760 0.382456 0.422016 O\n0.191586 0.490641 0.578940 O\n0.095314 0.529629 0.918314 O\n0.256939 0.666044 0.905183 O\n0.228788 0.773176 0.681530 O\n0.206367 0.793633 0.500000 O\n0.080473 0.663802 0.409073 O\n0.999973 0.783947 0.180906 O\n0.002921 0.796843 0.999754 O\n",
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