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{
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"results": [
{
"id": "mp-1246981",
"created_at": "2022-09-04T14:40:17.295484Z",
"structure_string": "Al4 Cr2 N6\n1.0\n5.479332 -0.045460 0.000000\n-2.777837 4.812753 0.000000\n0.000000 0.000000 5.028387\nAl Cr N\n4 2 6\ndirect\n0.339068 0.331089 0.492004 Al\n0.660932 0.992021 0.492004 Al\n0.660932 0.668911 0.992004 Al\n0.339068 0.007979 0.992004 Al\n0.000000 0.655676 0.489082 Cr\n0.000000 0.344324 0.989082 Cr\n0.343897 0.331813 0.869484 N\n0.656103 0.987915 0.869484 N\n0.656103 0.668187 0.369484 N\n0.343897 0.012085 0.369484 N\n0.000000 0.680620 0.875944 N\n0.000000 0.319380 0.375944 N\n",
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},
{
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"created_at": "2022-09-04T14:42:51.145105Z",
"structure_string": "Ta1 S2\n1.0\n6.889292 -1.671874 0.000000\n6.889292 1.671874 0.000000\n6.483567 0.000000 2.867206\nTa S\n1 2\ndirect\n0.833235 0.833235 0.833235 Ta\n0.423529 0.423529 0.423529 S\n0.576236 0.576236 0.576236 S\n",
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"spacegroup": 160
},
{
"id": "mp-705551",
"created_at": "2022-09-04T14:46:10.078341Z",
"structure_string": "Fe15 O16\n1.0\n6.247103 0.000000 0.000000\n-0.009577 6.265315 0.000000\n-0.068644 -0.057780 8.767779\nFe O\n15 16\ndirect\n0.680595 0.259708 0.263576 Fe\n0.039511 0.212102 0.127048 Fe\n0.489943 0.496484 0.502989 Fe\n0.989648 0.568874 0.991604 Fe\n0.752016 0.753991 0.250546 Fe\n0.248296 0.761635 0.750748 Fe\n0.506146 0.996569 0.002994 Fe\n0.489792 0.999855 0.496907 Fe\n0.002212 0.006901 0.499087 Fe\n0.245429 0.249432 0.752003 Fe\n0.756875 0.246353 0.756234 Fe\n0.001082 0.495199 0.493502 Fe\n0.498516 0.501705 0.997699 Fe\n0.755845 0.760990 0.748065 Fe\n0.256327 0.747233 0.251720 Fe\n0.998377 0.487735 0.233661 O\n0.740829 0.725998 0.500778 O\n0.006315 0.967595 0.254002 O\n0.499799 0.014249 0.741923 O\n0.755433 0.248286 0.491158 O\n0.285997 0.250558 0.997660 O\n0.752148 0.264497 0.016053 O\n0.504123 0.528702 0.235693 O\n0.516550 0.503755 0.764054 O\n0.270571 0.730560 0.992159 O\n0.238838 0.750082 0.509165 O\n0.716010 0.741499 0.998341 O\n0.506240 0.991991 0.256993 O\n0.988279 0.996834 0.740895 O\n0.252908 0.267497 0.509650 O\n0.001683 0.491301 0.762823 O\n",
"nsites": 31,
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"elements": [
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"density": 5.292031228843319,
"density_atomic": 0.09033385039886349,
"volume": 343.17146743022056,
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"formula_full": "Fe15 O16",
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"energy": -250.90615624,
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"updated_at": "2021-11-28T01:37:24.658000Z",
"spacegroup": 1
},
{
"id": "mp-1258775",
"created_at": "2022-09-04T14:44:14.589848Z",
"structure_string": "Mn6 Al6 O18\n1.0\n6.013535 -0.383687 -0.000158\n-3.334673 4.998261 0.000479\n0.000028 0.000569 10.614482\nMn Al O\n6 6 18\ndirect\n0.655074 0.987155 0.491502 Mn\n0.682405 0.681404 0.016371 Mn\n0.014011 0.344140 0.991897 Mn\n0.985838 0.655730 0.491872 Mn\n0.317480 0.318577 0.516283 Mn\n0.345832 0.013655 0.991597 Mn\n0.643225 0.333852 0.238808 Al\n0.357170 0.665967 0.738960 Al\n0.666835 0.357928 0.739276 Al\n0.333083 0.641660 0.239326 Al\n0.968853 0.970228 0.759031 Al\n0.031165 0.029736 0.258944 Al\n0.740225 0.396592 0.048909 O\n0.260075 0.603637 0.548999 O\n0.602193 0.261691 0.549266 O\n0.398238 0.738757 0.049904 O\n0.062793 0.061636 0.932116 O\n0.937158 0.938215 0.432083 O\n0.441444 0.008455 0.821316 O\n0.373465 0.374602 0.340121 O\n0.991412 0.559708 0.321475 O\n0.008690 0.440066 0.821399 O\n0.625574 0.625344 0.840382 O\n0.558398 0.991481 0.321305 O\n0.292466 0.047951 0.164745 O\n0.290966 0.292500 0.694140 O\n0.953236 0.708887 0.665511 O\n0.045663 0.290436 0.165418 O\n0.709287 0.707365 0.194158 O\n0.707747 0.952642 0.664888 O\n",
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"elements": [
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],
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"density": 4.2375356100986075,
"density_atomic": 0.09821225093754264,
"volume": 305.460873909491,
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"formula_full": "Mn6 Al6 O18",
"formula_reduced": "MnAlO3",
"formula_anonymous": "ABC3",
"energy": -242.81232718,
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"updated_at": "2021-11-28T01:36:37.586000Z",
"spacegroup": 36
},
{
"id": "mp-867796",
"created_at": "2022-09-04T14:44:17.434630Z",
"structure_string": "Na6 W7 O21\n1.0\n4.845550 -7.400783 0.000000\n4.845550 7.400783 0.000000\n-6.457932 0.000000 6.045334\nNa W O\n6 7 21\ndirect\n0.570549 0.142739 0.285508 Na\n0.142739 0.285508 0.570549 Na\n0.285508 0.570549 0.142739 Na\n0.714492 0.429451 0.857261 Na\n0.857261 0.714492 0.429451 Na\n0.429451 0.857261 0.714492 Na\n0.785887 0.070593 0.645061 W\n0.070593 0.645061 0.785887 W\n0.645061 0.785887 0.070593 W\n0.929407 0.354939 0.214113 W\n0.214113 0.929407 0.354939 W\n0.354939 0.214113 0.929407 W\n0.500000 0.500000 0.500000 W\n0.784282 0.073597 0.144392 O\n0.566696 0.638808 0.782661 O\n0.361192 0.217339 0.433304 O\n0.500000 0.000000 0.500000 O\n0.928708 0.357672 0.714595 O\n0.782661 0.566696 0.638808 O\n0.073597 0.144392 0.784282 O\n0.357672 0.714595 0.928708 O\n0.285405 0.071292 0.642328 O\n0.855608 0.215718 0.926403 O\n0.144392 0.784282 0.073597 O\n0.714595 0.928708 0.357672 O\n0.500000 0.500000 0.000000 O\n0.642328 0.285405 0.071292 O\n0.926403 0.855608 0.215718 O\n0.071292 0.642328 0.285405 O\n0.638808 0.782661 0.566696 O\n0.217339 0.433304 0.361192 O\n0.433304 0.361192 0.217339 O\n0.000000 0.500000 0.500000 O\n0.215718 0.926403 0.855608 O\n",
"nsites": 34,
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"elements": [
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],
"chemical_system": "Na-O-W",
"density": 6.743565266986976,
"density_atomic": 0.07841657531215193,
"volume": 433.5818016109044,
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"formula_full": "Na6 W7 O21",
"formula_reduced": "Na6(WO3)7",
"formula_anonymous": "A6B7C21",
"energy": -275.18627222,
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"updated_at": "2021-11-28T01:36:28.013000Z",
"spacegroup": 148
},
{
"id": "mp-720808",
"created_at": "2022-09-04T14:42:17.024898Z",
"structure_string": "H4 Ru12 C34 O34\n1.0\n8.230684 0.000000 0.000000\n-3.704505 10.531578 0.000000\n-2.189920 -1.766118 15.264485\nH Ru C O\n4 12 34 34\ndirect\n0.420234 0.724344 0.761527 H\n0.579766 0.275656 0.238473 H\n0.160280 0.702091 0.633876 H\n0.839720 0.297909 0.366124 H\n0.295256 0.750850 0.848061 Ru\n0.704744 0.249150 0.151939 Ru\n0.037102 0.497872 0.790441 Ru\n0.962898 0.502128 0.209559 Ru\n0.260400 0.979506 0.781421 Ru\n0.739600 0.020494 0.218579 Ru\n0.016866 0.723841 0.710972 Ru\n0.983134 0.276159 0.289028 Ru\n0.389082 0.837001 0.672467 Ru\n0.610918 0.162999 0.327533 Ru\n0.272336 0.583909 0.677685 Ru\n0.727664 0.416091 0.322315 Ru\n0.161427 0.760890 0.936241 C\n0.838573 0.239110 0.063759 C\n0.492800 0.892055 0.906529 C\n0.507200 0.107945 0.093471 C\n0.400705 0.641099 0.906271 C\n0.599295 0.358901 0.093729 C\n0.864443 0.356493 0.720079 C\n0.135557 0.643507 0.279921 C\n0.139824 0.387170 0.843655 C\n0.860176 0.612830 0.156345 C\n0.894099 0.496875 0.876714 C\n0.105901 0.503125 0.123286 C\n0.192851 0.087118 0.706005 C\n0.807149 0.912882 0.293995 C\n0.461592 0.119275 0.831338 C\n0.538408 0.880725 0.168662 C\n0.124578 0.009535 0.864530 C\n0.875422 0.990465 0.135470 C\n0.840213 0.577339 0.642003 C\n0.159787 0.422661 0.357997 C\n0.871604 0.742512 0.791466 C\n0.128396 0.257488 0.208534 C\n0.958581 0.834407 0.630188 C\n0.041419 0.165593 0.369812 C\n0.615582 0.952160 0.709920 C\n0.384418 0.047840 0.290080 C\n0.354602 0.938529 0.584538 C\n0.645398 0.061471 0.415462 C\n0.452402 0.706065 0.595039 C\n0.547598 0.293935 0.404961 C\n0.133238 0.448695 0.594176 C\n0.866762 0.551305 0.405824 C\n0.403857 0.484472 0.715403 C\n0.596143 0.515528 0.284597 C\n0.087356 0.765724 0.993795 O\n0.912644 0.234276 0.006205 O\n0.616652 0.960344 0.952917 O\n0.383348 0.039656 0.047083 O\n0.483717 0.589570 0.944515 O\n0.516283 0.410430 0.055485 O\n0.757611 0.269050 0.678009 O\n0.242389 0.730950 0.321991 O\n0.200242 0.316185 0.874476 O\n0.799758 0.683815 0.125524 O\n0.807923 0.492137 0.930258 O\n0.192077 0.507863 0.069742 O\n0.152966 0.157761 0.663106 O\n0.847034 0.842239 0.336894 O\n0.581216 0.208172 0.862376 O\n0.418784 0.791828 0.137624 O\n0.042361 0.032871 0.913354 O\n0.957639 0.967129 0.086646 O\n0.726053 0.502097 0.593872 O\n0.273947 0.497903 0.406128 O\n0.773433 0.750824 0.836556 O\n0.226567 0.249176 0.163444 O\n0.908170 0.887039 0.576177 O\n0.091830 0.112961 0.423823 O\n0.758252 0.020589 0.735046 O\n0.241748 0.979411 0.264954 O\n0.331822 0.999396 0.529062 O\n0.668178 0.000604 0.470938 O\n0.530981 0.691426 0.540726 O\n0.469019 0.308574 0.459274 O\n0.042814 0.363515 0.543184 O\n0.957186 0.636485 0.456816 O\n0.486771 0.422914 0.740701 O\n0.513229 0.577086 0.259299 O\n",
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"density_atomic": 0.0634845072134873,
"volume": 1323.1574708065807,
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"formula_full": "H4 Ru12 C34 O34",
"formula_reduced": "H2Ru6(CO)17",
"formula_anonymous": "A2B6C17D17",
"energy": -679.86562681,
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"updated_at": "2021-11-28T01:35:43.037000Z",
"spacegroup": 2
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{
"id": "mp-1301131",
"created_at": "2022-09-04T14:40:01.006728Z",
"structure_string": "Mg4 Cr2 W2 O12\n1.0\n5.192623 0.000031 -0.006015\n0.000032 5.356636 0.000018\n0.014881 0.000026 7.619422\nMg Cr W O\n4 2 2 12\ndirect\n0.999760 0.046112 0.253419 Mg\n0.500277 0.546025 0.246523 Mg\n0.000297 0.953885 0.746523 Mg\n0.499757 0.453787 0.753425 Mg\n0.499846 0.999779 0.999954 Cr\n0.000128 0.500437 0.500221 Cr\n0.499942 0.000020 0.499943 W\n0.000152 0.500015 0.999959 W\n0.677771 0.318764 0.426921 O\n0.822253 0.818443 0.073076 O\n0.322361 0.681555 0.573112 O\n0.177673 0.181242 0.926890 O\n0.180642 0.177893 0.561340 O\n0.319266 0.677377 0.938626 O\n0.819354 0.822608 0.438663 O\n0.680561 0.322080 0.061307 O\n0.125216 0.421973 0.249082 O\n0.374769 0.921888 0.250968 O\n0.625294 0.078014 0.748966 O\n0.874684 0.578102 0.751083 O\n",
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{
"id": "mp-689312",
"created_at": "2022-09-04T14:39:07.144887Z",
"structure_string": "Li4 W4 O14\n1.0\n5.261810 0.000000 0.000000\n0.598705 6.907395 0.000000\n2.057875 2.787527 7.986537\nLi W O\n4 4 14\ndirect\n0.865299 0.557605 0.751056 Li\n0.593031 0.227862 0.359433 Li\n0.134701 0.442395 0.248944 Li\n0.406969 0.772138 0.640567 Li\n0.302644 0.038400 0.164487 W\n0.209442 0.243951 0.687213 W\n0.790558 0.756049 0.312787 W\n0.697356 0.961600 0.835513 W\n0.852495 0.252201 0.796688 O\n0.147505 0.747799 0.203312 O\n0.726005 0.507568 0.309404 O\n0.273995 0.492432 0.690596 O\n0.051498 0.927164 0.748841 O\n0.948502 0.072836 0.251159 O\n0.805681 0.701386 0.527098 O\n0.669905 0.909805 0.076527 O\n0.443675 0.902032 0.363494 O\n0.405088 0.286764 0.144541 O\n0.556325 0.097968 0.636506 O\n0.330095 0.090195 0.923473 O\n0.194319 0.298614 0.472902 O\n0.594912 0.713236 0.855459 O\n",
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{
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