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{
"id": "mp-672670",
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{
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"formula_full": "Mg14 Cd1 Sn1",
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},
{
"id": "mp-8930",
"created_at": "2022-09-04T14:45:17.849859Z",
"structure_string": "K4 Ge2 As4\n1.0\n-3.336048 3.548941 6.764906\n3.336048 -3.548941 6.764906\n3.336048 3.548941 -6.764906\nK Ge As\n4 2 4\ndirect\n0.307795 0.642109 0.665686 K\n0.692205 0.357891 0.334314 K\n0.023577 0.857891 0.165686 K\n0.976423 0.142109 0.834314 K\n0.500000 0.250000 0.750000 Ge\n0.500000 0.750000 0.250000 Ge\n0.566849 0.896158 0.670690 As\n0.433151 0.103842 0.329310 As\n0.774532 0.603842 0.170690 As\n0.225468 0.396158 0.829310 As\n",
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"formula_full": "K4 Ge2 As4",
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"spacegroup": 72
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{
"id": "mp-768391",
"created_at": "2022-09-04T14:45:17.856463Z",
"structure_string": "Li24 Ti7 Cr5 O36\n1.0\n5.072645 0.000000 0.000000\n-0.827182 9.764842 0.000000\n-2.486346 -1.894871 13.042530\nLi Ti Cr O\n24 7 5 36\ndirect\n0.167065 0.000738 0.833292 Li\n0.046851 0.000194 0.612361 Li\n0.000934 0.750189 0.251268 Li\n0.332459 0.750205 0.915666 Li\n0.047233 0.499954 0.112698 Li\n0.384187 0.498922 0.780271 Li\n0.160991 0.500358 0.334302 Li\n0.502292 0.498445 0.999346 Li\n0.286699 0.500413 0.553741 Li\n0.332763 0.250174 0.415843 Li\n0.493553 0.999595 0.500690 Li\n0.285107 0.000545 0.053472 Li\n0.619966 0.001124 0.721663 Li\n0.385208 0.001297 0.280660 Li\n0.711622 0.999247 0.944779 Li\n0.667549 0.749639 0.584006 Li\n0.720328 0.500164 0.447033 Li\n0.832865 0.500480 0.666724 Li\n0.616385 0.499446 0.219736 Li\n0.948506 0.500072 0.886287 Li\n0.667490 0.250023 0.083143 Li\n0.836806 0.000573 0.165972 Li\n0.001404 0.249680 0.750357 Li\n0.952501 0.998994 0.387184 Li\n0.112008 0.252766 0.975418 Ti\n0.221114 0.746776 0.694069 Ti\n0.437666 0.246797 0.639318 Ti\n0.444369 0.749788 0.138816 Ti\n0.556584 0.751065 0.361392 Ti\n0.885276 0.250869 0.525169 Ti\n0.892399 0.751685 0.026664 Ti\n0.112773 0.749995 0.474049 Cr\n0.225817 0.250545 0.198106 Cr\n0.560126 0.249453 0.860898 Cr\n0.774179 0.750404 0.806093 Cr\n0.775072 0.249651 0.301547 Cr\n0.004124 0.863663 0.928535 O\n0.065383 0.635565 0.786044 O\n0.999220 0.361585 0.425840 O\n0.143689 0.363923 0.642980 O\n0.267594 0.363464 0.881230 O\n0.332617 0.862313 0.593768 O\n0.076239 0.135965 0.282386 O\n0.190783 0.136064 0.522521 O\n0.406179 0.136011 0.951183 O\n0.143466 0.863720 0.143031 O\n0.264840 0.865746 0.381225 O\n0.484582 0.862271 0.810699 O\n0.326928 0.135571 0.736791 O\n0.189795 0.636314 0.022305 O\n0.395197 0.635631 0.453028 O\n0.522628 0.636784 0.689309 O\n0.332237 0.635971 0.238167 O\n0.663406 0.638159 0.901968 O\n0.334316 0.362909 0.098063 O\n0.669448 0.361552 0.765818 O\n0.468296 0.362218 0.307578 O\n0.597719 0.366362 0.548513 O\n0.813432 0.364653 0.978737 O\n0.668570 0.863933 0.262453 O\n0.532413 0.138275 0.192344 O\n0.736125 0.133904 0.617474 O\n0.847693 0.137882 0.856395 O\n0.596536 0.866312 0.047887 O\n0.816392 0.861337 0.477867 O\n0.928221 0.864458 0.715455 O\n0.664961 0.137895 0.401966 O\n0.735796 0.634106 0.117493 O\n0.857978 0.637348 0.357489 O\n0.997575 0.636064 0.571540 O\n0.923967 0.364406 0.216818 O\n0.003512 0.137406 0.073062 O\n",
"nsites": 72,
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"elements": [
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],
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"density_atomic": 0.11144766183701248,
"volume": 646.0431633397296,
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"formula_full": "Li24 Ti7 Cr5 O36",
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"spacegroup": 1
},
{
"id": "mp-1228908",
"created_at": "2022-09-04T14:45:17.858982Z",
"structure_string": "Al2 Co1 Ru1\n1.0\n2.952693 0.000000 0.000000\n0.000000 2.952693 0.000000\n0.000000 0.000000 5.855557\nAl Co Ru\n2 1 1\ndirect\n0.000000 0.000000 0.757657 Al\n0.000000 0.000000 0.242343 Al\n0.500000 0.500000 0.000000 Co\n0.500000 0.500000 0.500000 Ru\n",
"nsites": 4,
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"elements": [
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],
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"density": 6.959685518251793,
"density_atomic": 0.07835292061648548,
"volume": 51.0510644469633,
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"formula_full": "Al2 Co1 Ru1",
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"updated_at": "2021-11-28T01:36:54.783000Z",
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{
"id": "mp-861982",
"created_at": "2022-09-04T14:45:17.863956Z",
"structure_string": "Pa1 Ga3\n1.0\n4.306475 0.000000 0.000000\n0.000000 4.306475 0.000000\n0.000000 0.000000 4.306475\nPa Ga\n1 3\ndirect\n0.000000 0.000000 0.000000 Pa\n0.500000 0.000000 0.500000 Ga\n0.000000 0.500000 0.500000 Ga\n0.500000 0.500000 0.000000 Ga\n",
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{
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"structure_string": "Ce1 Mg14 C1\n1.0\n6.277474 0.000000 -0.000000\n-3.138737 5.436452 0.000000\n-0.000000 0.000000 10.083162\nCe Mg C\n1 14 1\ndirect\n0.166667 0.333333 0.125000 Ce\n0.184327 0.842163 0.125000 Mg\n0.152719 0.826359 0.625000 Mg\n0.657837 0.315673 0.125000 Mg\n0.673641 0.347281 0.625000 Mg\n0.657837 0.842163 0.125000 Mg\n0.673641 0.826359 0.625000 Mg\n0.324210 0.175790 0.401638 Mg\n0.324210 0.175790 0.848362 Mg\n0.324210 0.648422 0.401638 Mg\n0.324210 0.648422 0.848362 Mg\n0.851578 0.175790 0.401638 Mg\n0.851578 0.175790 0.848362 Mg\n0.833333 0.666667 0.360087 Mg\n0.833333 0.666667 0.889913 Mg\n0.166667 0.333333 0.625000 C\n",
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{
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"structure_string": "U4 Pb4 Se8 O32\n1.0\n5.889734 0.000000 0.000000\n0.000000 11.475057 0.000000\n0.000000 0.000000 12.192997\nU Pb Se O\n4 4 8 32\ndirect\n0.000263 0.224775 0.250985 U\n0.000263 0.224775 0.749015 U\n0.999737 0.724775 0.749015 U\n0.999737 0.724775 0.250985 U\n0.050561 0.978864 0.000000 Pb\n0.486001 0.776245 0.500000 Pb\n0.513999 0.276245 0.500000 Pb\n0.949439 0.478864 0.000000 Pb\n0.139913 0.030751 0.500000 Se\n0.860087 0.530751 0.500000 Se\n0.625491 0.949894 0.234280 Se\n0.374509 0.449894 0.234280 Se\n0.625491 0.949894 0.765720 Se\n0.401588 0.715324 0.000000 Se\n0.598412 0.215324 0.000000 Se\n0.374509 0.449894 0.765720 Se\n0.162429 0.131434 0.606650 O\n0.750737 0.276730 0.890570 O\n0.162429 0.131434 0.393350 O\n0.255159 0.578236 0.720184 O\n0.750737 0.276730 0.109430 O\n0.172671 0.815298 0.657128 O\n0.249263 0.776730 0.109430 O\n0.255159 0.578236 0.279816 O\n0.744841 0.078236 0.720184 O\n0.169513 0.134508 0.843770 O\n0.837571 0.631434 0.606650 O\n0.830487 0.634508 0.156230 O\n0.249263 0.776730 0.890570 O\n0.744841 0.078236 0.279816 O\n0.690274 0.846947 0.664880 O\n0.172671 0.815298 0.342872 O\n0.590304 0.478504 0.500000 O\n0.837571 0.631434 0.393350 O\n0.678181 0.072699 0.000000 O\n0.835561 0.890819 0.147912 O\n0.321819 0.572699 0.000000 O\n0.827329 0.315298 0.657128 O\n0.309726 0.346947 0.335120 O\n0.835561 0.890819 0.852088 O\n0.164439 0.390819 0.147912 O\n0.164439 0.390819 0.852088 O\n0.827329 0.315298 0.342872 O\n0.690274 0.846947 0.335120 O\n0.830487 0.634508 0.843770 O\n0.169513 0.134508 0.156230 O\n0.309726 0.346947 0.664880 O\n0.409696 0.978504 0.500000 O\n",
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{
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"structure_string": "Th3 Nb12 O36\n1.0\n-2.801460 8.006678 8.453794\n2.801460 -8.006678 8.453794\n2.801460 8.006678 -8.453794\nTh Nb O\n3 12 36\ndirect\n0.000000 0.000000 0.000000 Th\n0.827802 0.327802 0.500000 Th\n0.172198 0.672198 0.500000 Th\n0.960384 0.826629 0.133755 Nb\n0.692874 0.826629 0.866245 Nb\n0.533636 0.157263 0.376374 Nb\n0.780889 0.157263 0.623626 Nb\n0.619730 0.500000 0.119730 Nb\n0.135758 0.500000 0.635758 Nb\n0.380270 0.500000 0.880270 Nb\n0.864242 0.500000 0.364242 Nb\n0.219111 0.842737 0.376374 Nb\n0.466364 0.842737 0.623626 Nb\n0.307126 0.173371 0.133755 Nb\n0.039616 0.173371 0.866245 Nb\n0.000000 0.500000 0.500000 O\n0.845873 0.845873 0.000000 O\n0.647766 0.492647 0.619351 O\n0.873296 0.028415 0.380649 O\n0.647766 0.028415 0.155119 O\n0.873296 0.492647 0.844881 O\n0.682070 0.182070 0.500000 O\n0.422653 0.170315 0.252338 O\n0.917976 0.170315 0.747662 O\n0.187683 0.327885 0.355100 O\n0.972785 0.327885 0.140202 O\n0.706595 0.336873 0.874139 O\n0.462734 0.336873 0.630278 O\n0.187683 0.832583 0.859798 O\n0.972785 0.832583 0.644900 O\n0.462734 0.832456 0.125861 O\n0.706595 0.832456 0.369722 O\n0.500000 0.500000 0.000000 O\n0.251700 0.500000 0.751700 O\n0.748300 0.500000 0.248300 O\n0.293405 0.167544 0.630278 O\n0.027215 0.167417 0.355100 O\n0.537266 0.663127 0.369722 O\n0.293405 0.663127 0.125861 O\n0.537266 0.167544 0.874139 O\n0.027215 0.672115 0.859798 O\n0.812317 0.167417 0.140202 O\n0.812317 0.672115 0.644900 O\n0.577347 0.829685 0.747662 O\n0.082024 0.829685 0.252338 O\n0.317930 0.817930 0.500000 O\n0.126704 0.507353 0.155119 O\n0.352234 0.507353 0.380649 O\n0.352234 0.971585 0.844881 O\n0.126704 0.971585 0.619351 O\n0.154127 0.154127 0.000000 O\n",
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