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{
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"results": [
{
"id": "mp-1103986",
"created_at": "2022-09-04T14:41:15.575767Z",
"structure_string": "Ba1 Lu1 Fe4 O7\n1.0\n-3.207511 3.207511 4.508625\n3.207511 -3.207511 4.508625\n3.207511 3.207511 -4.508625\nBa Lu Fe O\n1 1 4 7\ndirect\n0.250000 0.750000 0.500000 Ba\n0.000000 0.000000 0.000000 Lu\n0.644206 0.859173 0.264792 Fe\n0.594382 0.379414 0.735208 Fe\n0.620586 0.355794 0.214967 Fe\n0.140827 0.405618 0.785033 Fe\n0.697686 0.183190 0.921854 O\n0.261336 0.775832 0.078146 O\n0.224168 0.302314 0.485504 O\n0.816810 0.738664 0.514496 O\n0.245880 0.245880 0.000000 O\n0.754120 0.754120 0.000000 O\n0.750000 0.250000 0.500000 O\n",
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{
"id": "mp-559670",
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"structure_string": "K4 Ba4 Y4 Si8 O28\n1.0\n5.787333 0.000000 0.000000\n0.000000 9.885541 0.000000\n0.000000 6.538637 12.835347\nK Ba Y Si O\n4 4 4 8 28\ndirect\n0.763862 0.006501 0.361694 K\n0.263862 0.993499 0.138306 K\n0.736138 0.006501 0.861694 K\n0.236138 0.993499 0.638306 K\n0.269014 0.534850 0.328307 Ba\n0.230986 0.534850 0.828307 Ba\n0.730986 0.465150 0.671693 Ba\n0.769014 0.465150 0.171693 Ba\n0.240480 0.739482 0.021193 Y\n0.759520 0.260518 0.978807 Y\n0.259520 0.739482 0.521193 Y\n0.740480 0.260518 0.478807 Y\n0.228341 0.326480 0.621381 Si\n0.744969 0.828892 0.646093 Si\n0.255031 0.171108 0.353907 Si\n0.755031 0.828892 0.146093 Si\n0.771659 0.673520 0.378619 Si\n0.728341 0.673520 0.878619 Si\n0.244969 0.171108 0.853907 Si\n0.271659 0.326480 0.121381 Si\n0.999302 0.258132 0.849132 O\n0.242310 0.480353 0.637978 O\n0.464990 0.701106 0.907897 O\n0.760274 0.008786 0.064527 O\n0.742310 0.519647 0.862022 O\n0.535010 0.298894 0.092103 O\n0.500698 0.258132 0.349132 O\n0.796892 0.821852 0.763652 O\n0.580522 0.676759 0.460598 O\n0.260274 0.991214 0.435473 O\n0.703108 0.821852 0.263652 O\n0.499302 0.741868 0.650868 O\n0.296892 0.178148 0.736348 O\n0.080522 0.323241 0.039402 O\n0.461554 0.263529 0.873074 O\n0.961554 0.736471 0.626926 O\n0.035010 0.701106 0.407897 O\n0.964990 0.298894 0.592103 O\n0.919478 0.676759 0.960598 O\n0.538446 0.736471 0.126926 O\n0.203108 0.178148 0.236348 O\n0.038446 0.263529 0.373074 O\n0.000698 0.741868 0.150868 O\n0.419478 0.323241 0.539402 O\n0.257690 0.480353 0.137978 O\n0.757690 0.519647 0.362022 O\n0.739726 0.008786 0.564527 O\n0.239726 0.991214 0.935473 O\n",
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],
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"formula_full": "K4 Ba4 Y4 Si8 O28",
"formula_reduced": "KBaYSi2O7",
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},
{
"id": "mp-1219400",
"created_at": "2022-09-04T14:39:29.770293Z",
"structure_string": "Sm4 Fe31 Co3\n1.0\n4.256620 2.463824 4.168237\n-4.239188 2.438926 4.165136\n-0.025678 -9.806933 8.334176\nSm Fe Co\n4 31 3\ndirect\n0.658150 0.656544 0.329248 Sm\n0.659662 0.657889 0.828899 Sm\n0.340699 0.341378 0.170986 Sm\n0.341249 0.342113 0.670492 Sm\n0.291352 0.708446 0.000549 Fe\n0.294639 0.705778 0.500192 Fe\n0.709370 0.999682 0.145331 Fe\n0.708598 0.999856 0.645078 Fe\n0.999238 0.293060 0.353626 Fe\n0.999878 0.294723 0.853054 Fe\n0.289702 0.000415 0.354610 Fe\n0.291605 0.001164 0.854060 Fe\n0.000170 0.706459 0.147377 Fe\n0.000137 0.705864 0.647089 Fe\n0.707239 0.293323 0.499598 Fe\n0.708924 0.290495 0.999602 Fe\n0.998381 0.000214 0.250336 Fe\n0.999162 0.000915 0.750085 Fe\n0.999450 0.499892 0.000410 Fe\n0.000286 0.499565 0.500186 Fe\n0.500549 0.000194 0.499270 Fe\n0.500869 0.999743 0.999636 Fe\n0.904151 0.903247 0.452085 Fe\n0.904198 0.903606 0.951863 Fe\n0.096821 0.096056 0.048061 Fe\n0.096601 0.095563 0.548274 Fe\n0.341946 0.343087 0.922513 Fe\n0.342453 0.845535 0.171403 Fe\n0.341785 0.845578 0.671287 Fe\n0.158527 0.657446 0.329296 Fe\n0.156489 0.658444 0.829229 Fe\n0.657586 0.656249 0.079149 Fe\n0.658611 0.657375 0.579046 Fe\n0.656446 0.160229 0.328330 Fe\n0.657527 0.158339 0.827903 Fe\n0.844041 0.340773 0.170055 Co\n0.844306 0.340122 0.669653 Co\n0.339203 0.340640 0.422141 Co\n",
"nsites": 38,
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"elements": [
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],
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"formula_full": "Sm4 Fe31 Co3",
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"energy": -302.68841588,
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"updated_at": "2021-11-28T01:34:34.627000Z",
"spacegroup": 1
},
{
"id": "mp-774421",
"created_at": "2022-09-04T14:45:13.485505Z",
"structure_string": "Li3 Fe8 B8 O24\n1.0\n5.248897 0.000000 0.000000\n0.093885 9.155824 0.000000\n0.008950 0.120313 10.103316\nLi Fe B O\n3 8 8 24\ndirect\n0.152560 0.172593 0.654247 Li\n0.329678 0.331719 0.392942 Li\n0.681685 0.673988 0.156244 Li\n0.165311 0.832043 0.626808 Fe\n0.171657 0.498673 0.129566 Fe\n0.329850 0.991843 0.885312 Fe\n0.335800 0.663604 0.381395 Fe\n0.651690 0.344738 0.629976 Fe\n0.684382 0.004542 0.128667 Fe\n0.831041 0.159153 0.374942 Fe\n0.828338 0.500962 0.872791 Fe\n0.153546 0.499039 0.625834 B\n0.166316 0.825167 0.123902 B\n0.334604 0.004834 0.387534 B\n0.329258 0.666581 0.880288 B\n0.670363 0.001542 0.630244 B\n0.675595 0.338615 0.133944 B\n0.832540 0.488273 0.366262 B\n0.826581 0.166524 0.874331 B\n0.092160 0.483171 0.330634 O\n0.080904 0.140757 0.850702 O\n0.220627 0.795074 0.828137 O\n0.235493 0.874141 0.433750 O\n0.192079 0.132328 0.390525 O\n0.169165 0.556762 0.929084 O\n0.277668 0.367548 0.603230 O\n0.312976 0.939951 0.075902 O\n0.263048 0.629631 0.586689 O\n0.300375 0.697012 0.164789 O\n0.418147 0.350239 0.143866 O\n0.410572 0.002236 0.670691 O\n0.583098 0.009653 0.339860 O\n0.584022 0.649204 0.888909 O\n0.716132 0.301605 0.844283 O\n0.721888 0.359951 0.417814 O\n0.692702 0.610126 0.347942 O\n0.671835 0.056505 0.922820 O\n0.815227 0.458915 0.084365 O\n0.816872 0.879923 0.637430 O\n0.774329 0.133390 0.582483 O\n0.806927 0.215192 0.178619 O\n0.910145 0.831079 0.132734 O\n0.911671 0.501284 0.680914 O\n",
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],
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"volume": 485.5449292260431,
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"formula_full": "Li3 Fe8 B8 O24",
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{
"id": "mp-756099",
"created_at": "2022-09-04T14:46:37.269243Z",
"structure_string": "Mn3 Sn1 P4 O16\n1.0\n4.998344 0.027572 0.000006\n0.058376 10.039112 -0.000503\n0.000009 -0.000305 6.079242\nMn Sn P O\n3 1 4 16\ndirect\n0.075738 0.711443 0.750063 Mn\n0.450856 0.220464 0.750145 Mn\n0.584742 0.784864 0.249940 Mn\n0.953663 0.281559 0.249961 Sn\n0.096638 0.603808 0.250036 P\n0.392657 0.095318 0.250028 P\n0.587741 0.893110 0.749965 P\n0.917783 0.410425 0.749964 P\n0.165859 0.451858 0.249974 O\n0.233796 0.671025 0.049807 O\n0.233733 0.671009 0.450303 O\n0.216489 0.388759 0.750021 O\n0.281448 0.869987 0.750020 O\n0.238892 0.166598 0.054484 O\n0.238921 0.166610 0.445510 O\n0.358657 0.944663 0.249994 O\n0.641000 0.041383 0.749990 O\n0.729394 0.821988 0.550058 O\n0.729436 0.821994 0.949870 O\n0.694048 0.126797 0.249945 O\n0.789334 0.620844 0.249970 O\n0.773318 0.338075 0.549051 O\n0.773296 0.338056 0.950888 O\n0.842568 0.559364 0.750011 O\n",
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],
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"density_atomic": 0.07867817905471053,
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},
{
"id": "mp-758872",
"created_at": "2022-09-04T14:39:19.340954Z",
"structure_string": "Li6 Ti3 Mn9 O24\n1.0\n5.791807 0.000000 0.000000\n-0.041111 8.866537 0.000000\n-2.827721 -4.378374 9.036792\nLi Ti Mn O\n6 3 9 24\ndirect\n0.000000 0.500000 0.500000 Li\n0.655812 0.666417 0.333160 Li\n0.000000 0.000000 0.000000 Li\n0.830907 0.831069 0.162684 Li\n0.344188 0.333583 0.666840 Li\n0.169093 0.168931 0.837316 Li\n0.162296 0.166477 0.333420 Ti\n0.500000 0.500000 0.000000 Ti\n0.837704 0.833523 0.666580 Ti\n0.668097 0.167140 0.333373 Mn\n0.500000 0.000000 0.500000 Mn\n0.337259 0.337867 0.170781 Mn\n0.000000 0.000000 0.500000 Mn\n0.832371 0.329635 0.161350 Mn\n0.662741 0.662133 0.829219 Mn\n0.331903 0.832860 0.666627 Mn\n0.167629 0.670365 0.838650 Mn\n0.000000 0.500000 0.000000 Mn\n0.661288 0.410570 0.308282 O\n0.492561 0.209239 0.479772 O\n0.318781 0.077380 0.642385 O\n0.150374 0.384223 0.310943 O\n0.995534 0.253827 0.476949 O\n0.824618 0.050713 0.645626 O\n0.681219 0.922620 0.357615 O\n0.507439 0.790761 0.520228 O\n0.348341 0.126870 0.188214 O\n0.175382 0.949287 0.354374 O\n0.004466 0.746173 0.523051 O\n0.853090 0.079261 0.189141 O\n0.817696 0.578018 0.141784 O\n0.651659 0.873130 0.811786 O\n0.492689 0.717523 0.980234 O\n0.325509 0.548760 0.150577 O\n0.146910 0.920739 0.810859 O\n0.975918 0.744053 0.976364 O\n0.849626 0.615777 0.689057 O\n0.674491 0.451240 0.849423 O\n0.507311 0.282477 0.019766 O\n0.338712 0.589430 0.691718 O\n0.182304 0.421982 0.858216 O\n0.024082 0.255947 0.023636 O\n",
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"formula_full": "Li6 Ti3 Mn9 O24",
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{
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"structure_string": "Np6 F24\n1.0\n5.428633 6.388624 0.000000\n-5.428633 6.388624 0.000000\n0.000000 5.002366 6.720755\nNp F\n6 24\ndirect\n0.786752 0.213248 0.250000 Np\n0.213248 0.786752 0.750000 Np\n0.632871 0.777356 0.169415 Np\n0.777356 0.632871 0.669415 Np\n0.367129 0.222644 0.830585 Np\n0.222644 0.367129 0.330585 Np\n0.741764 0.681521 0.395361 F\n0.597850 0.184540 0.572538 F\n0.740438 0.497244 0.217597 F\n0.318479 0.258236 0.104639 F\n0.065017 0.173892 0.044145 F\n0.184540 0.597850 0.072538 F\n0.402150 0.815460 0.427462 F\n0.396366 0.603634 0.250000 F\n0.603634 0.396366 0.750000 F\n0.497244 0.740438 0.717597 F\n0.826108 0.934983 0.455855 F\n0.173892 0.065017 0.544145 F\n0.259562 0.502756 0.782403 F\n0.258236 0.318479 0.604639 F\n0.726286 0.028355 0.149866 F\n0.000000 0.500000 0.500000 F\n0.971645 0.273714 0.350134 F\n0.815460 0.402150 0.927462 F\n0.502756 0.259562 0.282403 F\n0.934983 0.826108 0.955855 F\n0.273714 0.971645 0.850134 F\n0.681521 0.741764 0.895361 F\n0.028355 0.726286 0.649866 F\n0.500000 0.000000 0.000000 F\n",
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{
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"structure_string": "La6 Co6 O16\n1.0\n5.432514 0.000000 0.000000\n0.000000 5.655171 0.000000\n0.000000 0.075032 11.764397\nLa Co O\n6 6 16\ndirect\n0.249798 0.250992 0.498781 La\n0.749798 0.749008 0.501219 La\n0.255783 0.268443 0.188742 La\n0.755783 0.731557 0.811258 La\n0.252711 0.267125 0.807468 La\n0.752711 0.732875 0.192532 La\n0.250407 0.750225 0.664341 Co\n0.750407 0.249775 0.335659 Co\n0.250140 0.758026 0.332496 Co\n0.750140 0.241974 0.667504 Co\n0.298504 0.812102 0.002398 Co\n0.798504 0.187898 0.997602 Co\n0.007577 0.000892 0.306599 O\n0.507577 0.999108 0.693401 O\n0.495388 0.997623 0.307294 O\n0.995388 0.002377 0.692706 O\n0.249648 0.829965 0.491793 O\n0.749648 0.170035 0.508207 O\n0.007499 0.509348 0.355548 O\n0.507499 0.490652 0.644452 O\n0.497764 0.514243 0.355790 O\n0.997764 0.485757 0.644210 O\n0.230926 0.676608 0.853427 O\n0.730926 0.323392 0.146573 O\n0.169928 0.142529 0.999636 O\n0.669928 0.857471 0.000364 O\n0.740928 0.311794 0.841436 O\n0.240928 0.688206 0.158564 O\n",
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