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{
"id": "mp-1101254",
"created_at": "2022-09-04T14:43:15.421913Z",
"structure_string": "V3 Cr2 Cu1 P6 O24\n1.0\n7.287437 -4.326073 0.000000\n7.287437 4.326073 0.000000\n4.719332 0.000000 7.039145\nV Cr Cu P O\n3 2 1 6 24\ndirect\n0.355135 0.355135 0.355135 V\n0.142272 0.142272 0.142272 V\n0.644147 0.644147 0.644147 V\n0.997808 0.997808 0.997808 Cr\n0.499797 0.499797 0.499797 Cr\n0.852481 0.852481 0.852481 Cu\n0.751456 0.045360 0.453186 P\n0.045360 0.453186 0.751456 P\n0.453186 0.751456 0.045360 P\n0.547174 0.249674 0.956032 P\n0.956032 0.547174 0.249674 P\n0.249674 0.956032 0.547174 P\n0.883571 0.497612 0.684283 O\n0.497612 0.684283 0.883571 O\n0.684283 0.883571 0.497612 O\n0.906452 0.057314 0.249464 O\n0.818767 0.019363 0.600797 O\n0.588637 0.245396 0.430357 O\n0.057314 0.249464 0.906452 O\n0.245396 0.430357 0.588637 O\n0.389649 0.185029 0.992274 O\n0.430357 0.588637 0.245396 O\n0.744804 0.096713 0.949607 O\n0.992274 0.389649 0.185029 O\n0.019363 0.600797 0.818767 O\n0.249464 0.906452 0.057314 O\n0.562483 0.411007 0.756087 O\n0.600797 0.818767 0.019363 O\n0.756087 0.562483 0.411007 O\n0.949607 0.744804 0.096713 O\n0.411007 0.756087 0.562483 O\n0.185029 0.992274 0.389649 O\n0.096713 0.949607 0.744804 O\n0.328750 0.111676 0.495371 O\n0.495371 0.328750 0.111676 O\n0.111676 0.495371 0.328750 O\n",
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{
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"structure_string": "Fe4 Co6 N8\n1.0\n5.511706 0.016744 -0.113103\n-4.170421 5.329296 0.000000\n-0.219429 -0.171714 5.503522\nFe Co N\n4 6 8\ndirect\n0.612755 0.165355 0.661831 Fe\n0.387245 0.552599 0.838169 Fe\n0.387245 0.834645 0.338169 Fe\n0.612755 0.447401 0.161831 Fe\n0.241312 0.018520 0.003034 Co\n0.758688 0.777208 0.496966 Co\n0.758688 0.981480 0.996966 Co\n0.241312 0.222792 0.503034 Co\n0.000000 0.646409 0.750000 Co\n0.000000 0.353591 0.250000 Co\n0.194677 0.916807 0.535365 N\n0.805323 0.722129 0.964635 N\n0.805323 0.083193 0.464635 N\n0.194677 0.277871 0.035365 N\n0.680058 0.244774 0.989460 N\n0.319942 0.564716 0.510540 N\n0.319942 0.755226 0.010540 N\n0.680058 0.435284 0.489460 N\n",
"nsites": 18,
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"elements": [
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"formula_full": "Fe4 Co6 N8",
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},
{
"id": "mp-1198877",
"created_at": "2022-09-04T14:43:15.247611Z",
"structure_string": "Dy8 Ni60 B36\n1.0\n7.930226 5.784838 0.000000\n-7.930226 5.784838 0.000000\n0.000000 0.000000 11.251232\nDy Ni B\n8 60 36\ndirect\n0.261156 0.261156 0.958768 Dy\n0.738844 0.738844 0.041232 Dy\n0.238844 0.238844 0.458768 Dy\n0.761156 0.761156 0.541232 Dy\n0.191669 0.691669 0.750000 Dy\n0.308331 0.808331 0.250000 Dy\n0.808331 0.308331 0.250000 Dy\n0.691669 0.191669 0.750000 Dy\n0.500000 0.500000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.234334 0.234334 0.711802 Ni\n0.765666 0.765666 0.288198 Ni\n0.265666 0.265666 0.211802 Ni\n0.734334 0.734334 0.788198 Ni\n0.931162 0.431162 0.750000 Ni\n0.568838 0.068838 0.250000 Ni\n0.068838 0.568838 0.250000 Ni\n0.431162 0.931162 0.750000 Ni\n0.990129 0.182905 0.840158 Ni\n0.817095 0.009871 0.159842 Ni\n0.317095 0.509871 0.340158 Ni\n0.490129 0.682905 0.659842 Ni\n0.009871 0.817095 0.159842 Ni\n0.182905 0.990129 0.840158 Ni\n0.682905 0.490129 0.659842 Ni\n0.509871 0.317095 0.340158 Ni\n0.257092 0.471343 0.596731 Ni\n0.528657 0.742908 0.403269 Ni\n0.028657 0.242908 0.096731 Ni\n0.757092 0.971343 0.903269 Ni\n0.742908 0.528657 0.403269 Ni\n0.471343 0.257092 0.596731 Ni\n0.971343 0.757092 0.903269 Ni\n0.242908 0.028657 0.096731 Ni\n0.994995 0.226689 0.618664 Ni\n0.773311 0.005005 0.381336 Ni\n0.273311 0.505005 0.118664 Ni\n0.494995 0.726689 0.881336 Ni\n0.005005 0.773311 0.381336 Ni\n0.226689 0.994995 0.618664 Ni\n0.726689 0.494995 0.881336 Ni\n0.505005 0.273311 0.118664 Ni\n0.107032 0.446648 0.914551 Ni\n0.553352 0.892968 0.085449 Ni\n0.053352 0.392968 0.414551 Ni\n0.607032 0.946648 0.585449 Ni\n0.892968 0.553352 0.085449 Ni\n0.446648 0.107032 0.914551 Ni\n0.946648 0.607032 0.585449 Ni\n0.392968 0.053352 0.414551 Ni\n0.331103 0.489462 0.805667 Ni\n0.510538 0.668897 0.194333 Ni\n0.010538 0.168897 0.305667 Ni\n0.831103 0.989462 0.694333 Ni\n0.668897 0.510538 0.194333 Ni\n0.489462 0.331103 0.805667 Ni\n0.989462 0.831103 0.694333 Ni\n0.168897 0.010538 0.305667 Ni\n0.838462 0.363209 0.529587 Ni\n0.636791 0.161538 0.470413 Ni\n0.136791 0.661538 0.029587 Ni\n0.338462 0.863209 0.970413 Ni\n0.161538 0.636791 0.470413 Ni\n0.363209 0.838462 0.529587 Ni\n0.863209 0.338462 0.970413 Ni\n0.661538 0.136791 0.029587 Ni\n0.364367 0.635633 0.500000 B\n0.864367 0.135633 0.000000 B\n0.635633 0.364367 0.500000 B\n0.135633 0.864367 0.000000 B\n0.452386 0.452386 0.671363 B\n0.547614 0.547614 0.328637 B\n0.047614 0.047614 0.171363 B\n0.952386 0.952386 0.828637 B\n0.056971 0.056971 0.701823 B\n0.943029 0.943029 0.298177 B\n0.443029 0.443029 0.201823 B\n0.556971 0.556971 0.798177 B\n0.120050 0.378366 0.744049 B\n0.621634 0.879950 0.255951 B\n0.121634 0.379950 0.244049 B\n0.620050 0.878366 0.755951 B\n0.879950 0.621634 0.255951 B\n0.378366 0.120050 0.744049 B\n0.878366 0.620050 0.755951 B\n0.379950 0.121634 0.244049 B\n0.298432 0.591659 0.949449 B\n0.408341 0.701568 0.050551 B\n0.908341 0.201568 0.449449 B\n0.798432 0.091659 0.550551 B\n0.701568 0.408341 0.050551 B\n0.591659 0.298432 0.949449 B\n0.091659 0.798432 0.550551 B\n0.201568 0.908341 0.449449 B\n0.048506 0.449254 0.599832 B\n0.550746 0.951494 0.400168 B\n0.050746 0.451494 0.099832 B\n0.548506 0.949254 0.900168 B\n0.951494 0.550746 0.400168 B\n0.449254 0.048506 0.599832 B\n0.949254 0.548506 0.900168 B\n0.451494 0.050746 0.099832 B\n",
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"formula_full": "Dy8 Ni60 B36",
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"spacegroup": 64
},
{
"id": "mp-1236274",
"created_at": "2022-09-04T14:43:15.251547Z",
"structure_string": "Li1 La4 Ga2 Fe2 O12\n1.0\n-5.701844 -0.158451 -0.034701\n-0.035634 0.026878 -5.627897\n-0.218880 -8.197177 0.036172\nLi La Ga Fe O\n1 4 2 2 12\ndirect\n0.713505 0.537459 0.419783 Li\n0.471318 0.481824 0.743323 La\n0.965932 0.007349 0.739949 La\n0.430267 0.481614 0.189086 La\n0.954588 0.010640 0.235348 La\n0.970456 0.505809 0.993630 Ga\n0.514592 0.994793 0.499255 Ga\n0.066771 0.500274 0.514867 Fe\n0.483621 0.989838 0.989400 Fe\n0.518103 0.908056 0.752897 O\n0.033874 0.581781 0.763266 O\n0.519321 0.079236 0.255368 O\n0.978368 0.434321 0.244531 O\n0.729871 0.273343 0.557728 O\n0.239331 0.256426 0.969859 O\n0.219256 0.768404 0.043834 O\n0.853763 0.817282 0.480036 O\n0.394697 0.669603 0.457026 O\n0.724779 0.745138 0.043140 O\n0.729597 0.257818 0.955729 O\n0.237991 0.187086 0.551944 O\n",
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{
"id": "mp-24015",
"created_at": "2022-09-04T14:43:15.305472Z",
"structure_string": "Cd8 H12 Cl4 O12\n1.0\n6.925184 0.000000 0.000000\n0.000000 7.599710 0.000000\n0.000000 0.000000 10.042018\nCd H Cl O\n8 12 4 12\ndirect\n0.309149 0.750000 0.762410 Cd\n0.809149 0.750000 0.737590 Cd\n0.690851 0.250000 0.237590 Cd\n0.190851 0.250000 0.262410 Cd\n0.500000 0.000000 0.500000 Cd\n0.000000 0.500000 0.000000 Cd\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.926568 0.953905 0.279591 H\n0.426568 0.546095 0.220409 H\n0.073432 0.453905 0.720409 H\n0.573432 0.046095 0.779591 H\n0.073432 0.046095 0.720409 H\n0.573432 0.453905 0.779591 H\n0.926568 0.546095 0.279591 H\n0.426568 0.953905 0.220409 H\n0.192305 0.750000 0.486903 H\n0.692305 0.750000 0.013097 H\n0.807695 0.250000 0.513097 H\n0.307695 0.250000 0.986903 H\n0.189868 0.250000 0.538606 Cl\n0.689868 0.250000 0.961394 Cl\n0.810132 0.750000 0.461394 Cl\n0.310132 0.750000 0.038606 Cl\n0.178901 0.250000 0.026506 O\n0.678901 0.250000 0.473494 O\n0.821099 0.750000 0.973494 O\n0.321099 0.750000 0.526506 O\n0.443291 0.053948 0.280487 O\n0.943291 0.446052 0.219513 O\n0.556709 0.553948 0.719513 O\n0.056709 0.946052 0.780487 O\n0.556709 0.946052 0.719513 O\n0.056709 0.553948 0.780487 O\n0.443291 0.446052 0.280487 O\n0.943291 0.053948 0.219513 O\n",
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"formula_full": "Cd8 H12 Cl4 O12",
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{
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"created_at": "2022-09-04T14:43:15.324484Z",
"structure_string": "Li8 V4 F24\n1.0\n5.021335 0.000000 0.000000\n0.000000 5.129666 0.000000\n0.000000 1.678751 14.996077\nLi V F\n8 4 24\ndirect\n0.488860 0.744336 0.751175 Li\n0.978675 0.678523 0.912397 Li\n0.011140 0.744336 0.251175 Li\n0.521325 0.678523 0.412397 Li\n0.478675 0.321477 0.587603 Li\n0.988860 0.255664 0.748825 Li\n0.021325 0.321477 0.087603 Li\n0.511140 0.255664 0.248825 Li\n0.938684 0.826517 0.599795 V\n0.561316 0.826517 0.099795 V\n0.438684 0.173483 0.900205 V\n0.061316 0.173483 0.400205 V\n0.176541 0.980775 0.839830 F\n0.661562 0.926739 0.847325 F\n0.322552 0.869621 0.988371 F\n0.323459 0.980775 0.339830 F\n0.838438 0.926739 0.347325 F\n0.177448 0.869621 0.488371 F\n0.705053 0.639857 0.532124 F\n0.219688 0.599373 0.627708 F\n0.789602 0.567279 0.695372 F\n0.289602 0.432721 0.804628 F\n0.719688 0.400627 0.872292 F\n0.205053 0.360143 0.967876 F\n0.794947 0.639857 0.032124 F\n0.280312 0.599373 0.127708 F\n0.710398 0.567279 0.195372 F\n0.210398 0.432721 0.304628 F\n0.780312 0.400627 0.372292 F\n0.294947 0.360143 0.467876 F\n0.822552 0.130379 0.511629 F\n0.161562 0.073261 0.652675 F\n0.676541 0.019225 0.660170 F\n0.677448 0.130379 0.011629 F\n0.338438 0.073261 0.152675 F\n0.823459 0.019225 0.160170 F\n",
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{
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{
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{
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{
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"structure_string": "Cd1 Hg4 C6 S6 Br4 N6\n1.0\n0.000000 9.449443 11.956859\n3.273833 0.000000 11.956859\n3.273833 9.449443 0.000000\nCd Hg C S Br N\n1 4 6 6 4 6\ndirect\n0.015169 0.984831 0.984831 Cd\n0.181994 0.435631 0.522378 Hg\n0.564369 0.818006 0.140004 Hg\n0.477622 0.140004 0.818006 Hg\n0.859996 0.522378 0.435631 Hg\n0.674584 0.474405 0.072334 C\n0.525595 0.325416 0.221323 C\n0.778677 0.072334 0.474405 C\n0.241502 0.533853 0.758498 C\n0.466147 0.758498 0.533853 C\n0.927666 0.221323 0.325416 C\n0.461516 0.725423 0.166020 S\n0.274577 0.538484 0.352959 S\n0.833980 0.352959 0.538484 S\n0.304362 0.350545 0.695638 S\n0.649455 0.695638 0.350545 S\n0.647041 0.166020 0.725423 S\n0.392167 0.012680 0.915021 Br\n0.084979 0.319868 0.607833 Br\n0.987320 0.607833 0.319868 Br\n0.680132 0.915021 0.012680 Br\n0.197728 0.663802 0.802272 N\n0.822605 0.295271 0.005865 N\n0.994135 0.123742 0.177395 N\n0.876258 0.005865 0.295271 N\n0.336198 0.802272 0.663802 N\n0.704729 0.177395 0.123742 N\n",
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{
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{
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"structure_string": "Mg6 Si8\n1.0\n5.135936 0.000000 0.000000\n-2.036696 6.740380 0.000000\n-0.301702 -2.977605 7.466270\nMg Si\n6 8\ndirect\n0.703883 0.867208 0.017233 Mg\n0.296117 0.132792 0.982767 Mg\n0.303936 0.111397 0.595095 Mg\n0.804289 0.601153 0.619312 Mg\n0.195711 0.398847 0.380688 Mg\n0.696064 0.888603 0.404905 Mg\n0.745482 0.430009 0.880379 Si\n0.240746 0.481279 0.805247 Si\n0.192993 0.919276 0.234320 Si\n0.628678 0.233743 0.314771 Si\n0.807007 0.080724 0.765680 Si\n0.759254 0.518721 0.194753 Si\n0.254518 0.569991 0.119621 Si\n0.371322 0.766257 0.685229 Si\n",
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}