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{
"id": "mp-1204272",
"created_at": "2022-09-04T14:40:17.519638Z",
"structure_string": "Y42 Ir28\n1.0\n-5.651246 5.651246 12.639462\n5.651246 -5.651246 12.639462\n5.651246 5.651246 -12.639462\nY Ir\n42 28\ndirect\n0.632191 0.503579 0.279310 Y\n0.224270 0.352882 0.720690 Y\n0.132191 0.852882 0.128612 Y\n0.724270 0.003579 0.871388 Y\n0.352882 0.632191 0.128612 Y\n0.503579 0.224270 0.871388 Y\n0.003579 0.132191 0.279310 Y\n0.852882 0.724270 0.720690 Y\n0.367809 0.496421 0.720690 Y\n0.775730 0.647118 0.279310 Y\n0.867809 0.147118 0.871388 Y\n0.275730 0.996421 0.128612 Y\n0.647118 0.367809 0.871388 Y\n0.496421 0.775730 0.128612 Y\n0.996421 0.867809 0.720690 Y\n0.147118 0.275730 0.279310 Y\n0.385745 0.517057 0.290639 Y\n0.226418 0.095105 0.709361 Y\n0.885745 0.595105 0.868688 Y\n0.726418 0.017057 0.131312 Y\n0.095105 0.385745 0.868688 Y\n0.517057 0.226418 0.131312 Y\n0.017057 0.885745 0.290639 Y\n0.595105 0.726418 0.709361 Y\n0.614255 0.482943 0.709361 Y\n0.773582 0.904895 0.290639 Y\n0.114255 0.404895 0.131312 Y\n0.273582 0.982943 0.868688 Y\n0.904895 0.614255 0.131312 Y\n0.482943 0.773582 0.868688 Y\n0.982943 0.114255 0.709361 Y\n0.404895 0.273582 0.290639 Y\n0.850741 0.350741 0.201481 Y\n0.149259 0.649259 0.798519 Y\n0.350741 0.149259 0.500000 Y\n0.649259 0.850741 0.500000 Y\n0.387473 0.887473 0.500000 Y\n0.887473 0.387473 0.500000 Y\n0.612527 0.112527 0.500000 Y\n0.112527 0.612527 0.500000 Y\n0.250000 0.750000 0.500000 Y\n0.750000 0.250000 0.500000 Y\n0.714342 0.214342 0.141179 Ir\n0.073162 0.573162 0.858821 Ir\n0.214342 0.073162 0.500000 Ir\n0.573162 0.714342 0.500000 Ir\n0.285658 0.785658 0.858821 Ir\n0.926838 0.426838 0.141179 Ir\n0.785658 0.926838 0.500000 Ir\n0.426838 0.285658 0.500000 Ir\n0.465362 0.965362 0.808098 Ir\n0.157264 0.657264 0.191902 Ir\n0.965362 0.157264 0.500000 Ir\n0.657264 0.465362 0.500000 Ir\n0.534638 0.034638 0.191902 Ir\n0.842736 0.342736 0.808098 Ir\n0.034638 0.842736 0.500000 Ir\n0.342736 0.534638 0.500000 Ir\n0.596541 0.096541 0.693083 Ir\n0.403459 0.903459 0.306917 Ir\n0.096541 0.403459 0.500000 Ir\n0.903459 0.596541 0.500000 Ir\n0.365629 0.365629 0.000000 Ir\n0.865629 0.865629 0.000000 Ir\n0.634371 0.634371 0.000000 Ir\n0.134371 0.134371 0.000000 Ir\n0.500000 0.500000 0.000000 Ir\n0.000000 0.000000 0.000000 Ir\n0.250000 0.250000 0.000000 Ir\n0.750000 0.750000 0.000000 Ir\n",
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"density": 9.375235951684328,
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"volume": 1614.6448256601384,
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"formula_full": "Y42 Ir28",
"formula_reduced": "Y3Ir2",
"formula_anonymous": "A2B3",
"energy": -573.01968482,
"energy_per_atom": -8.185995497428571,
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"updated_at": "2021-11-28T01:34:54.809000Z",
"spacegroup": 140
},
{
"id": "mp-1177714",
"created_at": "2022-09-04T14:44:56.188704Z",
"structure_string": "Li6 Cr8 P12 O48\n1.0\n9.729162 -0.018510 -0.026408\n-0.755531 9.781617 0.011896\n-0.701441 0.641060 9.750701\nLi Cr P O\n6 8 12 48\ndirect\n0.025861 0.511177 0.251470 Li\n0.373991 0.750538 0.824975 Li\n0.512543 0.018044 0.755998 Li\n0.569828 0.225394 0.541190 Li\n0.914836 0.689698 0.021261 Li\n0.968524 0.249366 0.387497 Li\n0.023511 0.252772 0.784906 Cr\n0.249235 0.249807 0.999595 Cr\n0.250678 0.026141 0.215531 Cr\n0.470871 0.466439 0.000500 Cr\n0.526204 0.532472 0.501124 Cr\n0.748779 0.749054 0.499526 Cr\n0.751083 0.964611 0.275383 Cr\n0.966282 0.751398 0.717884 Cr\n0.049072 0.820143 0.403763 P\n0.172642 0.952976 0.900856 P\n0.150163 0.550058 0.929760 P\n0.343729 0.323758 0.701262 P\n0.319512 0.339315 0.299210 P\n0.451637 0.845120 0.424689 P\n0.549302 0.152321 0.068409 P\n0.647477 0.681271 0.798684 P\n0.682169 0.647846 0.203957 P\n0.842591 0.450110 0.575923 P\n0.817870 0.049556 0.591037 P\n0.951944 0.173816 0.101867 P\n0.031905 0.881106 0.855008 O\n0.080347 0.813585 0.561907 O\n0.092840 0.616795 0.792111 O\n0.113949 0.956311 0.339764 O\n0.092181 0.694178 0.343804 O\n0.122192 0.387120 0.920740 O\n0.081702 0.591251 0.052145 O\n0.116833 0.161371 0.126154 O\n0.160560 0.114571 0.873309 O\n0.183588 0.309754 0.672358 O\n0.192434 0.917633 0.060042 O\n0.188011 0.391276 0.339184 O\n0.294100 0.915060 0.829381 O\n0.311082 0.583909 0.936224 O\n0.316032 0.178676 0.326281 O\n0.385505 0.903675 0.287964 O\n0.376342 0.331647 0.864172 O\n0.333632 0.375727 0.137351 O\n0.411029 0.907433 0.550935 O\n0.399089 0.464167 0.637660 O\n0.416344 0.687219 0.436057 O\n0.414222 0.204619 0.656156 O\n0.385559 0.121402 0.079089 O\n0.456201 0.393461 0.373758 O\n0.569862 0.799693 0.833090 O\n0.545381 0.588227 0.137093 O\n0.593086 0.541345 0.863758 O\n0.615166 0.875676 0.412075 O\n0.621808 0.667361 0.635383 O\n0.590234 0.094894 0.939835 O\n0.583738 0.310316 0.061703 O\n0.615595 0.088807 0.203174 O\n0.668669 0.618258 0.365318 O\n0.682094 0.412986 0.562644 O\n0.693209 0.806547 0.166284 O\n0.684487 0.092796 0.636714 O\n0.807008 0.697114 0.837051 O\n0.827637 0.888017 0.626012 O\n0.811919 0.591698 0.162533 O\n0.825558 0.080830 0.430640 O\n0.872410 0.612049 0.585682 O\n0.885477 0.829525 0.371689 O\n0.899001 0.386071 0.715605 O\n0.915905 0.197946 0.945251 O\n0.910619 0.407506 0.454931 O\n0.886728 0.030829 0.147795 O\n0.919290 0.286531 0.187916 O\n0.951375 0.119203 0.656492 O\n",
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"elements": [
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"density": 2.859454157327424,
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"volume": 927.5655382577855,
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"formula_full": "Li6 Cr8 P12 O48",
"formula_reduced": "Li3Cr4(PO4)6",
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"updated_at": "2021-11-28T01:36:45.315000Z",
"spacegroup": 1
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{
"id": "mp-849421",
"created_at": "2022-09-04T14:42:50.819693Z",
"structure_string": "Li4 V8 P12 O48\n1.0\n8.570744 0.000000 0.000000\n0.000000 8.536845 0.000000\n0.000000 8.505916 12.129961\nLi V P O\n4 8 12 48\ndirect\n0.088653 0.227965 0.703091 Li\n0.588653 0.772035 0.796909 Li\n0.411347 0.227965 0.203091 Li\n0.911347 0.772035 0.296909 Li\n0.032424 0.857081 0.888844 V\n0.532424 0.142919 0.611156 V\n0.968799 0.359002 0.383428 V\n0.468799 0.640998 0.116572 V\n0.531201 0.359002 0.883428 V\n0.031201 0.640998 0.616572 V\n0.467576 0.857081 0.388844 V\n0.967576 0.142919 0.111156 V\n0.247551 0.471390 0.494604 P\n0.390950 0.035693 0.853839 P\n0.109011 0.748239 0.144529 P\n0.890950 0.964307 0.646161 P\n0.609011 0.251761 0.355471 P\n0.747551 0.528610 0.005396 P\n0.252449 0.471390 0.994604 P\n0.390989 0.748239 0.644529 P\n0.109050 0.035693 0.353839 P\n0.890989 0.251761 0.855471 P\n0.609050 0.964307 0.146161 P\n0.752449 0.528610 0.505396 P\n0.866895 0.514125 0.429821 O\n0.896944 0.057041 0.869104 O\n0.675712 0.333621 0.591772 O\n0.577632 0.765668 0.170491 O\n0.362707 0.315059 0.575772 O\n0.430365 0.873163 0.972365 O\n0.213515 0.035763 0.830652 O\n0.998144 0.614819 0.241580 O\n0.277211 0.667910 0.171929 O\n0.160004 0.401648 0.432987 O\n0.054537 0.768194 0.040205 O\n0.492703 0.012659 0.775165 O\n0.992703 0.987341 0.724835 O\n0.554537 0.231806 0.459795 O\n0.660004 0.598352 0.067013 O\n0.777211 0.332090 0.328071 O\n0.713515 0.964237 0.669348 O\n0.930365 0.126837 0.527635 O\n0.498144 0.385181 0.258420 O\n0.862707 0.684941 0.924228 O\n0.175712 0.666379 0.908228 O\n0.396944 0.942959 0.630896 O\n0.077632 0.234332 0.329509 O\n0.366895 0.485875 0.070179 O\n0.633105 0.514125 0.929821 O\n0.922368 0.765668 0.670491 O\n0.603056 0.057041 0.369104 O\n0.824288 0.333621 0.091772 O\n0.137293 0.315059 0.075772 O\n0.501856 0.614819 0.741580 O\n0.069635 0.873163 0.472365 O\n0.286485 0.035763 0.330652 O\n0.222789 0.667910 0.671929 O\n0.339996 0.401648 0.932987 O\n0.445463 0.768194 0.540205 O\n0.007297 0.012659 0.275165 O\n0.507297 0.987341 0.224835 O\n0.945463 0.231806 0.959795 O\n0.839996 0.598352 0.567013 O\n0.722789 0.332090 0.828071 O\n0.001856 0.385181 0.758420 O\n0.786485 0.964237 0.169348 O\n0.569635 0.126837 0.027635 O\n0.637293 0.684941 0.424228 O\n0.422368 0.234332 0.829509 O\n0.324288 0.666379 0.408228 O\n0.103056 0.942959 0.130896 O\n0.133105 0.485875 0.570179 O\n",
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{
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"structure_string": "Na18 Y6 Si12 O42\n1.0\n4.755723 -8.237154 0.000000\n4.755723 8.237154 0.000000\n0.000000 0.000000 13.936513\nNa Y Si O\n18 6 12 42\ndirect\n0.333333 0.666667 0.250065 Na\n0.666667 0.333333 0.750065 Na\n0.000000 0.000000 0.000049 Na\n0.000000 0.000000 0.500049 Na\n0.333333 0.666667 0.770380 Na\n0.666667 0.333333 0.270380 Na\n0.015193 0.685184 0.087574 Na\n0.314816 0.330009 0.087574 Na\n0.669991 0.984807 0.087574 Na\n0.984807 0.314816 0.587574 Na\n0.685184 0.669991 0.587574 Na\n0.330009 0.015193 0.587574 Na\n0.984307 0.314407 0.912627 Na\n0.685593 0.669900 0.912627 Na\n0.330100 0.015693 0.912627 Na\n0.015693 0.685593 0.412627 Na\n0.314407 0.330100 0.412627 Na\n0.669900 0.984307 0.412627 Na\n0.666667 0.333333 0.519812 Y\n0.333333 0.666667 0.019812 Y\n0.333333 0.666667 0.482155 Y\n0.666667 0.333333 0.982155 Y\n0.000000 0.000000 0.749833 Y\n0.000000 0.000000 0.249833 Y\n0.018956 0.672218 0.640795 Si\n0.327782 0.346737 0.640795 Si\n0.653263 0.981044 0.640795 Si\n0.981044 0.327782 0.140795 Si\n0.672218 0.653263 0.140795 Si\n0.346737 0.018956 0.140795 Si\n0.981989 0.327946 0.359118 Si\n0.672054 0.654043 0.359118 Si\n0.345957 0.018011 0.359118 Si\n0.018011 0.672054 0.859118 Si\n0.327946 0.345957 0.859118 Si\n0.654043 0.981989 0.859118 Si\n0.514989 0.391455 0.620810 O\n0.608545 0.123535 0.620810 O\n0.876465 0.485011 0.620810 O\n0.485011 0.608545 0.120810 O\n0.391455 0.876465 0.120810 O\n0.123535 0.514989 0.120810 O\n0.484920 0.608381 0.379221 O\n0.391619 0.876539 0.379221 O\n0.123461 0.515080 0.379221 O\n0.515080 0.391619 0.879221 O\n0.608381 0.123461 0.879221 O\n0.876539 0.484920 0.879221 O\n0.171847 0.730767 0.933377 O\n0.269233 0.441080 0.933377 O\n0.558920 0.828153 0.933377 O\n0.828153 0.269233 0.433377 O\n0.730767 0.558920 0.433377 O\n0.441080 0.171847 0.433377 O\n0.829033 0.268824 0.065788 O\n0.731176 0.560209 0.065788 O\n0.439791 0.170967 0.065788 O\n0.170967 0.731176 0.565788 O\n0.268824 0.439791 0.565788 O\n0.560209 0.829033 0.565788 O\n0.951795 0.800887 0.861164 O\n0.199113 0.150908 0.861164 O\n0.849092 0.048205 0.861164 O\n0.048205 0.199113 0.361164 O\n0.800887 0.849092 0.361164 O\n0.150908 0.951795 0.361164 O\n0.048215 0.199341 0.139006 O\n0.800659 0.848874 0.139006 O\n0.151126 0.951785 0.139006 O\n0.951785 0.800659 0.639006 O\n0.199341 0.151126 0.639006 O\n0.848874 0.048215 0.639006 O\n0.099239 0.680907 0.750090 O\n0.319093 0.418331 0.750090 O\n0.581669 0.900761 0.750090 O\n0.900761 0.319093 0.250090 O\n0.680907 0.581669 0.250090 O\n0.418331 0.099239 0.250090 O\n",
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"formula_full": "Na18 Y6 Si12 O42",
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{
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