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{
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"structure_string": "Li6 Mn2 Co2 O10\n1.0\n2.906382 0.000000 0.000000\n-1.158892 7.683383 0.000000\n-0.036632 -2.216073 7.987906\nLi Mn Co O\n6 2 2 10\ndirect\n0.662695 0.384390 0.595359 Li\n0.902782 0.802008 0.219020 Li\n0.097218 0.197992 0.780980 Li\n0.337305 0.615610 0.404641 Li\n0.500000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.916738 0.805240 0.690788 Mn\n0.083262 0.194760 0.309212 Mn\n0.311905 0.602510 0.901281 Co\n0.688095 0.397490 0.098719 Co\n0.342882 0.625270 0.659730 O\n0.510889 0.020557 0.253482 O\n0.694933 0.412572 0.855694 O\n0.910910 0.797045 0.468552 O\n0.079519 0.212457 0.064401 O\n0.089090 0.202955 0.531448 O\n0.305067 0.587428 0.144306 O\n0.489111 0.979443 0.746518 O\n0.657118 0.374730 0.340270 O\n0.920481 0.787543 0.935599 O\n",
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{
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"spacegroup": 225
},
{
"id": "mp-758583",
"created_at": "2022-09-04T14:48:03.387083Z",
"structure_string": "Li4 V4 P8 O28\n1.0\n8.231856 0.000000 0.000000\n0.000000 5.227594 0.000000\n0.000000 4.529312 13.194133\nLi V P O\n4 4 8 28\ndirect\n0.742218 0.071573 0.732260 Li\n0.242218 0.928427 0.767740 Li\n0.757782 0.071573 0.232260 Li\n0.257782 0.928427 0.267740 Li\n0.648177 0.653946 0.129026 V\n0.148177 0.346054 0.370974 V\n0.851823 0.653946 0.629026 V\n0.351823 0.346054 0.870974 V\n0.795441 0.293470 0.481959 P\n0.544447 0.457520 0.320605 P\n0.044447 0.542480 0.179395 P\n0.295441 0.706530 0.018041 P\n0.704559 0.293470 0.981959 P\n0.955553 0.457520 0.820605 P\n0.455553 0.542480 0.679395 P\n0.204559 0.706530 0.518041 P\n0.934695 0.280111 0.752405 O\n0.641477 0.718874 0.266021 O\n0.175735 0.439143 0.498059 O\n0.413457 0.749977 0.095850 O\n0.368019 0.527893 0.334243 O\n0.279683 0.946547 0.920237 O\n0.614678 0.312772 0.431623 O\n0.114678 0.687228 0.068377 O\n0.779683 0.053453 0.579763 O\n0.868019 0.472107 0.165757 O\n0.913457 0.250023 0.404150 O\n0.675735 0.560857 0.001941 O\n0.141477 0.281126 0.233979 O\n0.434695 0.719889 0.747595 O\n0.565305 0.280111 0.252405 O\n0.858523 0.718874 0.766021 O\n0.324265 0.439143 0.998059 O\n0.086543 0.749977 0.595850 O\n0.131981 0.527893 0.834243 O\n0.220317 0.946547 0.420237 O\n0.885322 0.312772 0.931623 O\n0.385322 0.687228 0.568377 O\n0.720317 0.053453 0.079763 O\n0.631981 0.472107 0.665757 O\n0.586543 0.250023 0.904150 O\n0.824265 0.560857 0.501941 O\n0.358523 0.281126 0.733979 O\n0.065305 0.719889 0.247595 O\n",
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"formula_full": "Li4 V4 P8 O28",
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"spacegroup": 14
},
{
"id": "mp-4676",
"created_at": "2022-09-04T14:48:09.310963Z",
"structure_string": "La3 B6 Ru8\n1.0\n0.000000 4.921911 8.809044\n2.793867 0.000000 8.809044\n2.793867 4.921911 0.000000\nLa B Ru\n3 6 8\ndirect\n0.000000 0.000000 0.000000 La\n0.817990 0.817990 0.182010 La\n0.182010 0.182010 0.817990 La\n0.669161 0.330839 0.669161 B\n0.330839 0.669161 0.330839 B\n0.164994 0.493066 0.506934 B\n0.493066 0.164994 0.835006 B\n0.835006 0.506934 0.493066 B\n0.506934 0.835006 0.164994 B\n0.914186 0.914186 0.585814 Ru\n0.413180 0.413180 0.586820 Ru\n0.586820 0.586820 0.413180 Ru\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n0.085814 0.085814 0.414186 Ru\n0.585814 0.585814 0.914186 Ru\n0.414186 0.414186 0.085814 Ru\n",
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"density": 8.8427732736621,
"density_atomic": 0.0701698684162902,
"volume": 242.26923013658362,
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"formula_full": "La3 B6 Ru8",
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"updated_at": "2021-11-28T01:38:27.667000Z",
"spacegroup": 69
},
{
"id": "mp-570199",
"created_at": "2022-09-04T14:48:09.679858Z",
"structure_string": "Ti3 Pd5\n1.0\n3.310278 0.000000 0.000000\n0.000000 3.310278 0.000000\n0.000000 0.000000 11.498991\nTi Pd\n3 5\ndirect\n0.500000 0.500000 0.136755 Ti\n0.500000 0.500000 0.863245 Ti\n0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.242049 Pd\n0.500000 0.500000 0.619975 Pd\n0.500000 0.500000 0.380025 Pd\n0.000000 0.000000 0.757951 Pd\n0.000000 0.000000 0.000000 Pd\n",
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{
"id": "mp-1177320",
"created_at": "2022-09-04T14:48:09.673107Z",
"structure_string": "Li8 V6 P16 O58\n1.0\n4.909389 8.480709 0.000000\n-4.909389 8.480709 0.000000\n0.000000 0.061199 14.017486\nLi V P O\n8 6 16 58\ndirect\n0.227979 0.682529 0.690657 Li\n0.675797 0.097223 0.690357 Li\n0.092196 0.224278 0.690741 Li\n0.775722 0.907804 0.309259 Li\n0.228912 0.093773 0.189727 Li\n0.906227 0.771088 0.810273 Li\n0.317471 0.772021 0.309343 Li\n0.902777 0.324203 0.309643 Li\n0.567197 0.999912 0.500565 V\n0.436419 0.993641 0.993896 V\n0.006359 0.563581 0.006104 V\n0.000088 0.432803 0.499435 V\n0.435740 0.564260 0.500000 V\n0.566605 0.433395 0.000000 V\n0.230179 0.682575 0.908096 P\n0.086795 0.682961 0.408378 P\n0.685214 0.230211 0.407025 P\n0.333715 0.333386 0.622959 P\n0.336976 0.327897 0.121725 P\n0.682914 0.089583 0.909926 P\n0.768510 0.912268 0.092076 P\n0.087732 0.231490 0.907924 P\n0.912840 0.767170 0.592569 P\n0.232830 0.087160 0.407431 P\n0.317039 0.913205 0.591622 P\n0.666614 0.666285 0.377041 P\n0.672103 0.663024 0.878275 P\n0.317425 0.769821 0.091904 P\n0.910417 0.317086 0.090074 P\n0.769789 0.314786 0.592975 P\n0.244855 0.763414 0.183078 O\n0.256198 0.661363 0.411840 O\n0.998754 0.757657 0.683223 O\n0.083291 0.660109 0.913790 O\n0.382256 0.522931 0.927924 O\n0.330144 0.487704 0.579220 O\n0.523299 0.382474 0.427860 O\n0.756825 0.236316 0.679881 O\n0.657794 0.257185 0.914939 O\n0.184876 0.479178 0.076394 O\n0.098057 0.521713 0.425324 O\n0.479677 0.335504 0.075722 O\n0.332660 0.342189 0.729150 O\n0.328628 0.334980 0.227092 O\n0.487975 0.188084 0.583564 O\n0.093437 0.384186 0.928992 O\n0.187370 0.327705 0.582716 O\n0.661740 0.085362 0.409601 O\n0.791598 0.000577 0.000593 O\n0.762766 0.989966 0.182930 O\n0.757651 0.001587 0.820108 O\n0.522101 0.096465 0.926648 O\n0.332867 0.180911 0.081380 O\n0.747401 0.916753 0.590407 O\n0.381057 0.099507 0.425606 O\n0.083247 0.252599 0.409593 O\n0.005957 0.786878 0.503998 O\n0.996634 0.770172 0.323218 O\n0.998413 0.242349 0.179892 O\n0.911493 0.742743 0.081956 O\n0.615814 0.906563 0.071008 O\n0.257257 0.088507 0.918044 O\n0.672295 0.812630 0.417284 O\n0.478287 0.901943 0.574676 O\n0.229828 0.003366 0.676782 O\n0.242343 0.001246 0.316777 O\n0.213122 0.994043 0.496002 O\n0.339891 0.916709 0.086210 O\n0.819089 0.667133 0.918620 O\n0.900493 0.618943 0.574394 O\n0.520822 0.815124 0.923606 O\n0.665020 0.671372 0.772908 O\n0.657811 0.667340 0.270850 O\n0.512296 0.669856 0.420780 O\n0.903535 0.477899 0.073352 O\n0.811916 0.512025 0.416436 O\n0.338637 0.743802 0.588160 O\n0.209500 0.790500 0.000000 O\n0.236586 0.755145 0.816922 O\n0.477069 0.617744 0.072076 O\n0.664496 0.520323 0.924278 O\n0.617526 0.476701 0.572140 O\n0.914638 0.338260 0.590399 O\n0.010034 0.237234 0.817070 O\n0.999423 0.208402 0.999407 O\n0.742815 0.342206 0.085061 O\n0.763684 0.243175 0.320119 O\n0.790706 0.209294 0.500000 O\n",
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{
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"structure_string": "V4 N4 O12\n1.0\n3.210251 0.000000 0.000000\n0.000000 6.014614 0.000000\n0.000000 0.000000 18.122809\nV N O\n4 4 12\ndirect\n0.521952 0.250000 0.305438 V\n0.478048 0.750000 0.694562 V\n0.521952 0.750000 0.194562 V\n0.478048 0.250000 0.805438 V\n0.278501 0.250000 0.044701 N\n0.721499 0.750000 0.955299 N\n0.278501 0.750000 0.455299 N\n0.721499 0.250000 0.544701 N\n0.525199 0.000000 0.250000 O\n0.474801 0.500000 0.750000 O\n0.474801 0.000000 0.750000 O\n0.525199 0.500000 0.250000 O\n0.022240 0.250000 0.354684 O\n0.977760 0.750000 0.645316 O\n0.022240 0.750000 0.145316 O\n0.977760 0.250000 0.854684 O\n0.466228 0.250000 0.499147 O\n0.533772 0.750000 0.500853 O\n0.466228 0.750000 0.000853 O\n0.533772 0.250000 0.999147 O\n",
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{
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"structure_string": "K12 As4 S16\n1.0\n9.255608 0.000000 0.000000\n0.000000 9.521848 0.000000\n0.000000 0.000000 10.815115\nK As S\n12 4 16\ndirect\n0.941876 0.703540 0.008373 K\n0.058124 0.296460 0.508373 K\n0.558124 0.203540 0.508373 K\n0.441876 0.796460 0.008373 K\n0.944612 0.700806 0.417663 K\n0.055388 0.299194 0.917663 K\n0.555388 0.200806 0.917663 K\n0.444612 0.799194 0.417663 K\n0.638976 0.419234 0.219981 K\n0.361024 0.580766 0.719981 K\n0.861024 0.919234 0.719981 K\n0.138976 0.080766 0.219981 K\n0.720857 0.981272 0.211371 As\n0.279143 0.018728 0.711371 As\n0.779143 0.481272 0.711371 As\n0.220857 0.518728 0.211371 As\n0.690245 0.753103 0.214314 S\n0.309755 0.246897 0.714314 S\n0.809755 0.253103 0.714314 S\n0.190245 0.746897 0.214314 S\n0.838814 0.035672 0.042379 S\n0.161186 0.964328 0.542379 S\n0.661186 0.535672 0.542379 S\n0.338814 0.464328 0.042379 S\n0.509338 0.087591 0.212480 S\n0.490662 0.912409 0.712480 S\n0.990662 0.587591 0.712480 S\n0.009338 0.412409 0.212480 S\n0.839931 0.042298 0.378839 S\n0.160069 0.957702 0.878839 S\n0.660069 0.542298 0.878839 S\n0.339931 0.457702 0.378839 S\n",
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{
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{
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