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{
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{
"id": "mp-1044405",
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"structure_string": "Zn4 Mo12 O28\n1.0\n5.894880 0.000000 0.000000\n0.000000 9.885086 0.000000\n0.000000 0.000000 11.266161\nZn Mo O\n4 12 28\ndirect\n0.367112 0.016485 0.250000 Zn\n0.867112 0.483515 0.750000 Zn\n0.632888 0.983515 0.750000 Zn\n0.132888 0.516485 0.250000 Zn\n0.704231 0.682084 0.978277 Mo\n0.204231 0.817916 0.021723 Mo\n0.295769 0.317916 0.478277 Mo\n0.795769 0.182084 0.521723 Mo\n0.715278 0.787607 0.250000 Mo\n0.215278 0.712393 0.750000 Mo\n0.284722 0.212393 0.750000 Mo\n0.784722 0.287607 0.250000 Mo\n0.204231 0.817916 0.478277 Mo\n0.704231 0.682084 0.521723 Mo\n0.795769 0.182084 0.978277 Mo\n0.295769 0.317916 0.021723 Mo\n0.062431 0.269554 0.888815 O\n0.562431 0.230446 0.111185 O\n0.937569 0.730446 0.388815 O\n0.437569 0.769554 0.611185 O\n0.937569 0.730446 0.111185 O\n0.437569 0.769554 0.888815 O\n0.062431 0.269554 0.611185 O\n0.562431 0.230446 0.388815 O\n0.509085 0.252836 0.884548 O\n0.009085 0.247164 0.115452 O\n0.490915 0.747164 0.384548 O\n0.990915 0.752836 0.615452 O\n0.490915 0.747164 0.115452 O\n0.990915 0.752836 0.884548 O\n0.509085 0.252836 0.615452 O\n0.009085 0.247164 0.384548 O\n0.804265 0.476001 0.250000 O\n0.304265 0.023999 0.750000 O\n0.195735 0.523999 0.750000 O\n0.695735 0.976001 0.250000 O\n0.769602 0.015445 0.596839 O\n0.269602 0.484555 0.403161 O\n0.230398 0.984555 0.096839 O\n0.730398 0.515445 0.903161 O\n0.230398 0.984555 0.403161 O\n0.730398 0.515445 0.596839 O\n0.769602 0.015445 0.903161 O\n0.269602 0.484555 0.096839 O\n",
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{
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"structure_string": "Li2 Sn4 P10 O30\n1.0\n9.854211 0.000000 0.000000\n0.000000 5.547714 0.000000\n0.000000 5.270693 12.418731\nLi Sn P O\n2 4 10 30\ndirect\n0.983165 0.080022 0.476213 Li\n0.016835 0.080022 0.976213 Li\n0.310882 0.028168 0.087071 Sn\n0.306446 0.964949 0.418818 Sn\n0.689118 0.028168 0.587071 Sn\n0.693554 0.964949 0.918818 Sn\n0.805390 0.333479 0.081941 P\n0.538612 0.457219 0.146889 P\n0.998475 0.011506 0.250523 P\n0.540365 0.536160 0.352986 P\n0.810232 0.663849 0.415719 P\n0.194610 0.333479 0.581941 P\n0.461388 0.457219 0.646889 P\n0.001525 0.011506 0.750523 P\n0.459635 0.536160 0.852986 P\n0.189768 0.663849 0.915719 P\n0.834831 0.155891 0.024159 O\n0.823307 0.624410 0.021355 O\n0.538966 0.723492 0.055107 O\n0.652334 0.269836 0.127875 O\n0.080687 0.956118 0.168519 O\n0.406940 0.309457 0.172770 O\n0.892265 0.249469 0.191010 O\n0.602106 0.488161 0.251261 O\n0.898848 0.759686 0.306761 O\n0.411015 0.690352 0.323901 O\n0.066418 0.078417 0.336220 O\n0.657242 0.721576 0.369099 O\n0.538501 0.275404 0.447710 O\n0.832039 0.370848 0.471916 O\n0.833345 0.836131 0.476579 O\n0.165169 0.155891 0.524159 O\n0.176693 0.624410 0.521355 O\n0.461034 0.723492 0.555107 O\n0.347666 0.269836 0.627875 O\n0.919313 0.956118 0.668519 O\n0.593060 0.309457 0.672770 O\n0.107735 0.249469 0.691010 O\n0.397894 0.488161 0.751261 O\n0.101152 0.759686 0.806761 O\n0.588985 0.690352 0.823901 O\n0.933582 0.078417 0.836220 O\n0.342758 0.721576 0.869099 O\n0.461499 0.275404 0.947710 O\n0.167961 0.370848 0.971916 O\n0.166655 0.836131 0.976579 O\n",
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],
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"formula_full": "Li2 Sn4 P10 O30",
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{
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"structure_string": "Ca2 Mg2 B12 O34\n1.0\n6.126426 0.000000 0.000000\n0.000000 8.415009 0.000000\n0.000000 1.219269 12.312682\nCa Mg B O\n2 2 12 34\ndirect\n0.429524 0.250000 0.500000 Ca\n0.570476 0.750000 0.500000 Ca\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Mg\n0.277600 0.399520 0.217785 B\n0.277600 0.100480 0.782215 B\n0.722400 0.600480 0.782215 B\n0.722400 0.899520 0.217785 B\n0.249464 0.549937 0.387078 B\n0.249464 0.950063 0.612922 B\n0.750536 0.450063 0.612922 B\n0.750536 0.049937 0.387078 B\n0.503408 0.644761 0.235662 B\n0.503408 0.855239 0.764338 B\n0.496592 0.355239 0.764338 B\n0.496592 0.144761 0.235662 B\n0.081567 0.250000 0.000000 O\n0.918433 0.750000 0.000000 O\n0.348459 0.688144 0.976954 O\n0.348459 0.811856 0.023046 O\n0.651541 0.311856 0.023046 O\n0.651541 0.188144 0.976954 O\n0.097199 0.470503 0.154875 O\n0.097199 0.029497 0.845125 O\n0.902801 0.529497 0.845125 O\n0.902801 0.970503 0.154875 O\n0.335411 0.240988 0.192405 O\n0.335411 0.259012 0.807595 O\n0.664589 0.759012 0.807595 O\n0.664589 0.740988 0.192405 O\n0.452004 0.513721 0.180606 O\n0.452004 0.986279 0.819394 O\n0.547996 0.486279 0.819394 O\n0.547996 0.013721 0.180606 O\n0.244832 0.397591 0.337413 O\n0.244832 0.102409 0.662587 O\n0.755168 0.602409 0.662587 O\n0.755168 0.897591 0.337413 O\n0.395147 0.671780 0.330805 O\n0.395147 0.828220 0.669195 O\n0.604853 0.328220 0.669195 O\n0.604853 0.171780 0.330805 O\n0.017346 0.589785 0.374917 O\n0.017346 0.910215 0.625083 O\n0.982654 0.410215 0.625083 O\n0.982654 0.089785 0.374917 O\n0.303274 0.529787 0.500404 O\n0.303274 0.970213 0.499596 O\n0.696726 0.470213 0.499596 O\n0.696726 0.029787 0.500404 O\n",
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"formula_full": "Ca2 Mg2 B12 O34",
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"spacegroup": 13
},
{
"id": "mp-764738",
"created_at": "2022-09-04T14:48:26.883673Z",
"structure_string": "Li2 Fe8 B8 O24\n1.0\n5.337775 0.000000 0.000000\n0.065245 9.039669 0.000000\n0.098252 0.040528 10.130094\nLi Fe B O\n2 8 8 24\ndirect\n0.650280 0.002559 0.895509 Li\n0.850356 0.511772 0.653977 Li\n0.158460 0.825602 0.876686 Fe\n0.839900 0.848134 0.625539 Fe\n0.338409 0.666736 0.133324 Fe\n0.658023 0.666343 0.380825 Fe\n0.340759 0.325135 0.627260 Fe\n0.161041 0.165639 0.375040 Fe\n0.650472 0.343302 0.880287 Fe\n0.843360 0.167483 0.127030 Fe\n0.159422 0.829145 0.375959 B\n0.337588 0.658775 0.631438 B\n0.827703 0.830458 0.124808 B\n0.666136 0.679651 0.876143 B\n0.337291 0.330730 0.130538 B\n0.668319 0.328712 0.377778 B\n0.160724 0.158396 0.874848 B\n0.831030 0.180945 0.629089 B\n0.254688 0.967451 0.370550 O\n0.069910 0.800080 0.078350 O\n0.729671 0.969533 0.111363 O\n0.207407 0.778973 0.684626 O\n0.302597 0.706442 0.333696 O\n0.795145 0.810684 0.845808 O\n0.919082 0.804275 0.423968 O\n0.430268 0.696292 0.937818 O\n0.218971 0.523815 0.627243 O\n0.582395 0.674834 0.582517 O\n0.690232 0.714126 0.179468 O\n0.241706 0.469394 0.135612 O\n0.760107 0.546698 0.842877 O\n0.286511 0.278183 0.820163 O\n0.428691 0.298470 0.427807 O\n0.761297 0.467174 0.381721 O\n0.578167 0.304604 0.081569 O\n0.069728 0.196564 0.569307 O\n0.197185 0.208284 0.173460 O\n0.704631 0.314260 0.661197 O\n0.807564 0.208865 0.326666 O\n0.279768 0.022995 0.881263 O\n0.915189 0.175859 0.924690 O\n0.729702 0.050155 0.656111 O\n",
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{
"id": "mp-1212248",
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"structure_string": "K8 H12 Os4 N8 O28\n1.0\n16.478079 0.000000 0.000000\n0.000000 7.184511 0.000000\n0.000000 2.352927 8.957789\nK H Os N O\n8 12 4 8 28\ndirect\n0.351832 0.890527 0.295896 K\n0.648168 0.109473 0.704104 K\n0.851832 0.609473 0.704104 K\n0.148168 0.390527 0.295896 K\n0.574909 0.875688 0.331008 K\n0.425091 0.124312 0.668992 K\n0.074909 0.624312 0.668992 K\n0.925091 0.375688 0.331008 K\n0.851649 0.638831 0.031173 H\n0.148351 0.361169 0.968827 H\n0.351649 0.861169 0.968827 H\n0.648351 0.138831 0.031173 H\n0.767849 0.576778 0.394607 H\n0.232151 0.423222 0.605393 H\n0.267849 0.923222 0.605393 H\n0.732151 0.076778 0.394607 H\n0.685224 0.716629 0.095960 H\n0.314776 0.283371 0.904040 H\n0.185224 0.783371 0.904040 H\n0.814776 0.216629 0.095960 H\n0.476522 0.440562 0.164559 Os\n0.523478 0.559438 0.835441 Os\n0.976522 0.059438 0.835441 Os\n0.023478 0.940562 0.164559 Os\n0.640969 0.598124 0.716272 N\n0.359031 0.401876 0.283728 N\n0.140969 0.901876 0.283728 N\n0.859031 0.098124 0.716272 N\n0.954021 0.859471 0.371212 N\n0.045979 0.140529 0.628788 N\n0.454021 0.640529 0.628788 N\n0.545979 0.359471 0.371212 N\n0.926597 0.983614 0.035591 O\n0.073403 0.016386 0.964409 O\n0.426597 0.516386 0.964409 O\n0.573403 0.483614 0.035591 O\n0.808554 0.962449 0.748275 O\n0.191446 0.037551 0.251725 O\n0.308554 0.537551 0.251725 O\n0.691446 0.462449 0.748275 O\n0.910351 0.980809 0.409900 O\n0.089649 0.019191 0.590100 O\n0.410351 0.519191 0.590100 O\n0.589649 0.480809 0.409900 O\n0.661999 0.753226 0.626482 O\n0.338001 0.246774 0.373518 O\n0.161999 0.746774 0.373518 O\n0.838001 0.253226 0.626482 O\n0.472343 0.669680 0.204129 O\n0.527657 0.330320 0.795871 O\n0.972343 0.830320 0.795871 O\n0.027657 0.169680 0.204129 O\n0.951123 0.686288 0.448980 O\n0.048877 0.313712 0.551020 O\n0.451123 0.813712 0.551020 O\n0.548877 0.186288 0.448980 O\n0.530539 0.811608 0.807659 O\n0.469461 0.188392 0.192341 O\n0.030539 0.688392 0.192341 O\n0.969461 0.311608 0.807659 O\n",
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{
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"structure_string": "Mg4 H24 C4 O24\n1.0\n5.439956 0.000000 0.000000\n0.000000 7.796276 0.000000\n0.000000 7.692323 12.170623\nMg H C O\n4 24 4 24\ndirect\n0.911039 0.401716 0.850809 Mg\n0.588961 0.401716 0.350809 Mg\n0.088961 0.598284 0.149191 Mg\n0.411039 0.598284 0.649191 Mg\n0.829022 0.678565 0.908762 H\n0.670978 0.678565 0.408762 H\n0.170978 0.321435 0.091238 H\n0.329022 0.321435 0.591238 H\n0.063713 0.745431 0.836621 H\n0.436287 0.745431 0.336621 H\n0.936287 0.254569 0.163379 H\n0.563713 0.254569 0.663379 H\n0.846653 0.997718 0.914263 H\n0.653347 0.997718 0.414263 H\n0.153347 0.002282 0.085737 H\n0.346653 0.002282 0.585737 H\n0.888100 0.133675 0.784922 H\n0.611900 0.133675 0.284922 H\n0.111900 0.866325 0.215078 H\n0.388100 0.866325 0.715078 H\n0.698505 0.985306 0.182067 H\n0.801495 0.985306 0.682067 H\n0.301495 0.014694 0.817933 H\n0.198505 0.014694 0.317933 H\n0.614442 0.199379 0.082647 H\n0.885558 0.199379 0.582647 H\n0.385558 0.800621 0.917353 H\n0.114442 0.800621 0.417353 H\n0.862052 0.654424 0.589418 C\n0.637948 0.654424 0.089418 C\n0.137948 0.345576 0.410582 C\n0.362052 0.345576 0.910582 C\n0.904312 0.674990 0.847060 O\n0.595688 0.674990 0.347060 O\n0.095688 0.325010 0.152940 O\n0.404312 0.325010 0.652940 O\n0.906998 0.131347 0.853860 O\n0.593002 0.131347 0.353860 O\n0.093002 0.868653 0.146140 O\n0.406998 0.868653 0.646140 O\n0.588740 0.320503 0.940417 O\n0.911260 0.320503 0.440417 O\n0.411260 0.679497 0.059583 O\n0.088740 0.679497 0.559583 O\n0.793841 0.550031 0.692201 O\n0.706159 0.550031 0.192201 O\n0.206159 0.449969 0.307799 O\n0.293841 0.449969 0.807799 O\n0.183627 0.269660 0.982081 O\n0.316373 0.269660 0.482081 O\n0.816373 0.730340 0.017919 O\n0.683627 0.730340 0.517919 O\n0.657310 0.123126 0.162607 O\n0.842690 0.123126 0.662607 O\n0.342690 0.876874 0.837393 O\n0.157310 0.876874 0.337393 O\n",
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{
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}