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{
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{
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{
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"structure_string": "Na4 C4 S4 N4\n1.0\n4.116973 0.000000 0.000000\n0.000000 5.793665 0.000000\n0.000000 0.000000 14.350436\nNa C S N\n4 4 4 4\ndirect\n0.750000 0.653692 0.621688 Na\n0.250000 0.153692 0.878312 Na\n0.750000 0.846308 0.121688 Na\n0.250000 0.346308 0.378312 Na\n0.750000 0.559194 0.873619 C\n0.250000 0.059194 0.626381 C\n0.250000 0.440806 0.126381 C\n0.750000 0.940806 0.373619 C\n0.250000 0.188640 0.177525 S\n0.750000 0.688640 0.322475 S\n0.250000 0.311360 0.677525 S\n0.750000 0.811360 0.822475 S\n0.750000 0.126426 0.408875 N\n0.250000 0.873574 0.591125 N\n0.750000 0.373574 0.908875 N\n0.250000 0.626426 0.091125 N\n",
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{
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"structure_string": "Zr8 O16\n1.0\n5.163611 0.000000 0.000000\n0.000000 5.335058 0.000000\n0.000000 0.000000 10.213953\nZr O\n8 16\ndirect\n0.752307 0.965113 0.384480 Zr\n0.247693 0.534887 0.884480 Zr\n0.747693 0.465113 0.615520 Zr\n0.252307 0.034887 0.115520 Zr\n0.247693 0.034887 0.615520 Zr\n0.752307 0.465113 0.115520 Zr\n0.252307 0.534887 0.384480 Zr\n0.747693 0.965113 0.884480 Zr\n0.998394 0.261156 0.478302 O\n0.001606 0.238844 0.978302 O\n0.501606 0.761156 0.521698 O\n0.498394 0.738844 0.021698 O\n0.001606 0.738844 0.521698 O\n0.998394 0.761156 0.021698 O\n0.498394 0.238844 0.478302 O\n0.501606 0.261156 0.978302 O\n0.625114 0.627742 0.288788 O\n0.374886 0.872258 0.788788 O\n0.874886 0.127742 0.711212 O\n0.125114 0.372258 0.211212 O\n0.374886 0.372258 0.711212 O\n0.625114 0.127742 0.211212 O\n0.125114 0.872258 0.288788 O\n0.874886 0.627742 0.788788 O\n",
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{
"id": "mp-22299",
"created_at": "2022-09-04T14:45:09.128083Z",
"structure_string": "Tb4 Ni4 Sn4\n1.0\n4.473863 0.000000 0.000000\n0.000000 7.181522 0.000000\n0.000000 0.000000 7.689106\nTb Ni Sn\n4 4 4\ndirect\n0.250000 0.012180 0.297309 Tb\n0.250000 0.512180 0.202691 Tb\n0.750000 0.987820 0.702691 Tb\n0.750000 0.487820 0.797309 Tb\n0.250000 0.301084 0.585059 Ni\n0.250000 0.801084 0.914941 Ni\n0.750000 0.698916 0.414941 Ni\n0.750000 0.198916 0.085059 Ni\n0.250000 0.190755 0.913157 Sn\n0.250000 0.690755 0.586843 Sn\n0.750000 0.809245 0.086843 Sn\n0.750000 0.309245 0.413157 Sn\n",
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"formula_full": "Tb4 Ni4 Sn4",
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{
"id": "mp-1100705",
"created_at": "2022-09-04T14:45:09.131553Z",
"structure_string": "Gd6 Nb2 O14\n1.0\n3.801344 -7.323125 0.000000\n3.801344 7.323125 0.000000\n0.000000 0.000000 5.432990\nGd Nb O\n6 2 14\ndirect\n0.000000 0.500000 0.000000 Gd\n0.500000 0.000000 0.000000 Gd\n0.618727 0.381273 0.471058 Gd\n0.118727 0.881273 0.528942 Gd\n0.881273 0.118727 0.471058 Gd\n0.381273 0.618727 0.528942 Gd\n0.750000 0.750000 0.000000 Nb\n0.250000 0.250000 0.000000 Nb\n0.750000 0.250000 0.240377 O\n0.839027 0.602699 0.764457 O\n0.989122 0.010878 0.211400 O\n0.250000 0.750000 0.759623 O\n0.397301 0.160973 0.764457 O\n0.102699 0.339027 0.764457 O\n0.339027 0.102699 0.235543 O\n0.510878 0.489122 0.211400 O\n0.489122 0.510878 0.788600 O\n0.660973 0.897301 0.764457 O\n0.602699 0.839027 0.235543 O\n0.897301 0.660973 0.235543 O\n0.010878 0.989122 0.788600 O\n0.160973 0.397301 0.235543 O\n",
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},
{
"id": "mp-1181604",
"created_at": "2022-09-04T14:45:09.156456Z",
"structure_string": "Fe4 H4 O8\n1.0\n3.093287 0.000000 0.000000\n-1.495874 -7.255148 0.000000\n-1.524530 0.192742 -7.728200\nFe H O\n4 4 8\ndirect\n0.822200 0.472128 0.193162 Fe\n0.159274 0.498520 0.849129 Fe\n0.369699 0.223721 0.526803 Fe\n0.636252 0.816850 0.463450 Fe\n0.796287 0.763355 0.032366 H\n0.135567 0.020412 0.243214 H\n0.903297 0.052828 0.759970 H\n0.053550 0.571786 0.533540 H\n0.774376 0.657416 0.957774 O\n0.195532 0.355488 0.059868 O\n0.168401 0.980772 0.362472 O\n0.840234 0.053295 0.634295 O\n0.859143 0.325702 0.404978 O\n0.139052 0.695067 0.592480 O\n0.547898 0.389318 0.727939 O\n0.452328 0.639899 0.280542 O\n",
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{
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"structure_string": "Rb2 P2 H4 O8\n1.0\n6.216913 0.000000 0.000000\n0.000000 4.901692 0.000000\n0.000000 2.349572 7.171171\nRb P H O\n2 2 4 8\ndirect\n0.750000 0.209162 0.742817 Rb\n0.250000 0.790838 0.257183 Rb\n0.250000 0.703688 0.752483 P\n0.750000 0.296312 0.247517 P\n0.250000 0.178660 0.618796 H\n0.750000 0.821340 0.381204 H\n0.000000 0.500000 0.000000 H\n0.500000 0.500000 0.000000 H\n0.250000 0.994676 0.582945 O\n0.750000 0.005324 0.417055 O\n0.250000 0.462335 0.666181 O\n0.750000 0.537665 0.333819 O\n0.044768 0.709314 0.870258 O\n0.544768 0.290686 0.129742 O\n0.955232 0.290686 0.129742 O\n0.455232 0.709314 0.870258 O\n",
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{
"id": "mp-761258",
"created_at": "2022-09-04T14:45:09.050375Z",
"structure_string": "Li12 Mn4 Fe4 Co4 P12 O48\n1.0\n10.431422 0.000000 0.006209\n0.000000 6.089010 0.000000\n0.008487 0.000000 14.291270\nLi Mn Fe Co P O\n12 4 4 4 12 48\ndirect\n0.997506 0.497957 0.666998 Li\n0.999551 0.001678 0.998554 Li\n0.999551 0.498322 0.998554 Li\n0.997277 0.000361 0.333778 Li\n0.997277 0.499639 0.333778 Li\n0.997506 0.002043 0.666998 Li\n0.502633 0.000488 0.500849 Li\n0.502633 0.499512 0.500849 Li\n0.502072 0.000312 0.166779 Li\n0.502072 0.499688 0.166779 Li\n0.501320 0.000528 0.832960 Li\n0.501320 0.499472 0.832960 Li\n0.218559 0.750000 0.159396 Mn\n0.218303 0.750000 0.493778 Mn\n0.280911 0.250000 0.326485 Mn\n0.719112 0.750000 0.006371 Mn\n0.218448 0.750000 0.823924 Fe\n0.281372 0.250000 0.659813 Fe\n0.280168 0.250000 0.990936 Fe\n0.720100 0.750000 0.341532 Fe\n0.723217 0.750000 0.671005 Co\n0.778767 0.250000 0.838704 Co\n0.779600 0.250000 0.506091 Co\n0.780829 0.250000 0.172172 Co\n0.094612 0.250000 0.806034 P\n0.091661 0.250000 0.137556 P\n0.090787 0.250000 0.473257 P\n0.409484 0.750000 0.305712 P\n0.406875 0.750000 0.641512 P\n0.404309 0.750000 0.971790 P\n0.597269 0.250000 0.360705 P\n0.594453 0.250000 0.028204 P\n0.596848 0.250000 0.694448 P\n0.907322 0.750000 0.858599 P\n0.903889 0.750000 0.194927 P\n0.902344 0.750000 0.528308 P\n0.041107 0.750000 0.237852 O\n0.039963 0.750000 0.569935 O\n0.046433 0.750000 0.898521 O\n0.096797 0.250000 0.580768 O\n0.097699 0.250000 0.913509 O\n0.095891 0.250000 0.245274 O\n0.162051 0.047867 0.092647 O\n0.162051 0.452133 0.092647 O\n0.160297 0.047652 0.427642 O\n0.160297 0.452348 0.427642 O\n0.165819 0.047029 0.761351 O\n0.165819 0.452971 0.761351 O\n0.336837 0.546993 0.596477 O\n0.336837 0.953007 0.596477 O\n0.339270 0.547492 0.261075 O\n0.339270 0.952508 0.261075 O\n0.332578 0.547351 0.928221 O\n0.332578 0.952649 0.928221 O\n0.405433 0.750000 0.413530 O\n0.404239 0.750000 0.079464 O\n0.399899 0.750000 0.749099 O\n0.459945 0.250000 0.403320 O\n0.455545 0.250000 0.067682 O\n0.457917 0.250000 0.734579 O\n0.547602 0.750000 0.264768 O\n0.541854 0.750000 0.929300 O\n0.546086 0.750000 0.601098 O\n0.599485 0.250000 0.253144 O\n0.600314 0.250000 0.920291 O\n0.600742 0.250000 0.586609 O\n0.664572 0.048557 0.074195 O\n0.668639 0.047941 0.405808 O\n0.666673 0.046580 0.740040 O\n0.666673 0.453420 0.740040 O\n0.664572 0.451443 0.074195 O\n0.668639 0.452059 0.405808 O\n0.837875 0.545531 0.903279 O\n0.837875 0.954469 0.903279 O\n0.832754 0.545435 0.238587 O\n0.830882 0.546219 0.572958 O\n0.832754 0.954565 0.238587 O\n0.830882 0.953781 0.572958 O\n0.901875 0.750000 0.750668 O\n0.901028 0.750000 0.420801 O\n0.903852 0.750000 0.087220 O\n0.955784 0.250000 0.765439 O\n0.952520 0.250000 0.097707 O\n0.951540 0.250000 0.433769 O\n",
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"formula_full": "Li12 Mn4 Fe4 Co4 P12 O48",
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{
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{
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"created_at": "2022-09-04T14:45:09.055189Z",
"structure_string": "Rb4 Pt2 I10\n1.0\n4.667698 -6.622750 0.000000\n4.667698 6.622750 0.000000\n0.000000 0.000000 11.715111\nRb Pt I\n4 2 10\ndirect\n0.527416 0.917991 0.250000 Rb\n0.082009 0.472584 0.750000 Rb\n0.472584 0.082009 0.750000 Rb\n0.917991 0.527416 0.250000 Rb\n0.000000 0.000000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n0.202465 0.797535 0.500000 I\n0.202465 0.797535 0.000000 I\n0.797535 0.202465 0.500000 I\n0.797535 0.202465 0.000000 I\n0.290660 0.290660 0.515527 I\n0.709340 0.709340 0.484473 I\n0.290660 0.290660 0.984473 I\n0.709340 0.709340 0.015527 I\n0.026938 0.026938 0.250000 I\n0.973062 0.973062 0.750000 I\n",
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"formula_full": "Rb4 Pt2 I10",
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{
"id": "mp-555356",
"created_at": "2022-09-04T14:45:09.056234Z",
"structure_string": "Ba13 Dy8 Zn4 Pt4 O37\n1.0\n-9.461196 9.461196 2.889191\n9.461196 -9.461196 2.889191\n9.461196 9.461196 -2.889191\nBa Dy Zn Pt O\n13 8 4 4 37\ndirect\n0.203989 0.071706 0.275695 Ba\n0.983330 0.608420 0.591750 Ba\n0.637144 0.436028 0.073173 Ba\n0.608420 0.016670 0.625090 Ba\n0.016670 0.391580 0.408250 Ba\n0.362856 0.563972 0.926827 Ba\n0.436028 0.362856 0.798884 Ba\n0.563972 0.637144 0.201116 Ba\n0.928294 0.203989 0.132284 Ba\n0.391580 0.983330 0.374910 Ba\n0.000000 0.000000 0.000000 Ba\n0.071706 0.796011 0.867716 Ba\n0.796011 0.928294 0.724305 Ba\n0.692882 0.237991 0.930873 Dy\n0.815988 0.378479 0.194467 Dy\n0.378479 0.184012 0.562491 Dy\n0.307118 0.762009 0.069127 Dy\n0.237991 0.307118 0.545108 Dy\n0.621521 0.815988 0.437509 Dy\n0.184012 0.621521 0.805533 Dy\n0.762009 0.692882 0.454892 Dy\n0.218360 0.897505 0.115865 Zn\n0.102495 0.218360 0.320855 Zn\n0.781640 0.102495 0.884135 Zn\n0.897505 0.781640 0.679145 Zn\n0.462316 0.799742 0.262057 Pt\n0.799742 0.537684 0.337426 Pt\n0.200258 0.462316 0.662574 Pt\n0.537684 0.200258 0.737943 Pt\n0.582624 0.301354 0.883977 O\n0.527002 0.221548 0.234003 O\n0.102552 0.516104 0.618656 O\n0.483896 0.102552 0.586447 O\n0.068976 0.853787 0.439203 O\n0.018052 0.429085 0.943216 O\n0.778452 0.012455 0.305454 O\n0.981948 0.570915 0.056784 O\n0.897448 0.483896 0.381344 O\n0.937786 0.875968 0.813754 O\n0.074835 0.018052 0.588966 O\n0.472998 0.778452 0.765997 O\n0.414584 0.629773 0.560797 O\n0.585416 0.370227 0.439203 O\n0.516104 0.897448 0.413553 O\n0.875968 0.062214 0.938183 O\n0.146213 0.585416 0.215190 O\n0.707001 0.472998 0.694546 O\n0.570915 0.514131 0.588966 O\n0.853787 0.414584 0.784810 O\n0.221548 0.987545 0.694546 O\n0.062214 0.124032 0.186246 O\n0.629773 0.068976 0.215190 O\n0.417376 0.698646 0.116023 O\n0.514131 0.925165 0.943216 O\n0.698646 0.582624 0.281270 O\n0.370227 0.931024 0.784810 O\n0.987545 0.292999 0.765997 O\n0.012455 0.707001 0.234003 O\n0.429085 0.485869 0.411034 O\n0.485869 0.074835 0.056784 O\n0.500000 0.500000 0.000000 O\n0.931024 0.146213 0.560797 O\n0.292999 0.527002 0.305454 O\n0.124032 0.937786 0.061817 O\n0.925165 0.981948 0.411034 O\n0.301354 0.417376 0.718730 O\n",
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]
}