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{
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"results": [
{
"id": "mp-1185774",
"created_at": "2022-09-04T14:41:04.241516Z",
"structure_string": "Mg4 Sc2\n1.0\n1.629835 -8.294830 0.000000\n1.629835 8.294830 0.000000\n0.000000 0.000000 5.178714\nMg Sc\n4 2\ndirect\n0.110998 0.889002 0.250000 Mg\n0.777043 0.222957 0.250000 Mg\n0.889002 0.110998 0.750000 Mg\n0.222957 0.777043 0.750000 Mg\n0.443954 0.556046 0.250000 Sc\n0.556046 0.443954 0.750000 Sc\n",
"nsites": 6,
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"elements": [
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"density": 2.219185957713734,
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{
"id": "mp-1195950",
"created_at": "2022-09-04T14:41:04.260749Z",
"structure_string": "Na4 La4 P8 H16 C4 O28\n1.0\n15.326479 0.000000 0.000000\n0.000000 6.961663 0.000000\n0.000000 0.650528 7.042633\nNa La P H C O\n4 4 8 16 4 28\ndirect\n0.536453 0.136782 0.791775 Na\n0.036453 0.363218 0.208225 Na\n0.463547 0.863218 0.208225 Na\n0.963547 0.636782 0.791775 Na\n0.602669 0.427724 0.344445 La\n0.102669 0.072276 0.655555 La\n0.397331 0.572276 0.655555 La\n0.897331 0.927724 0.344445 La\n0.409567 0.363815 0.171247 P\n0.909567 0.136185 0.828753 P\n0.590433 0.636185 0.828753 P\n0.090433 0.863815 0.171247 P\n0.657053 0.902331 0.477962 P\n0.157053 0.597669 0.522038 P\n0.342947 0.097669 0.522038 P\n0.842947 0.402331 0.477962 P\n0.701756 0.208057 0.031413 H\n0.201756 0.291943 0.968587 H\n0.298244 0.791943 0.968587 H\n0.798244 0.708057 0.031413 H\n0.611706 0.123591 0.099775 H\n0.111706 0.376409 0.900225 H\n0.388294 0.876409 0.900225 H\n0.888294 0.623591 0.099775 H\n0.267529 0.325764 0.311706 H\n0.767529 0.174236 0.688294 H\n0.732471 0.674236 0.688294 H\n0.232471 0.825764 0.311706 H\n0.297247 0.122902 0.192317 H\n0.797247 0.377098 0.807683 H\n0.702753 0.877098 0.807683 H\n0.202753 0.622902 0.192317 H\n0.321483 0.225963 0.289120 C\n0.821483 0.274037 0.710880 C\n0.678517 0.774037 0.710880 C\n0.178517 0.725963 0.289120 C\n0.596893 0.774113 0.367221 O\n0.096893 0.725887 0.632779 O\n0.403107 0.225887 0.632779 O\n0.903107 0.274113 0.367221 O\n0.625968 0.539482 0.015927 O\n0.125968 0.960518 0.984073 O\n0.374032 0.460518 0.984073 O\n0.874032 0.039482 0.015927 O\n0.560909 0.482080 0.691390 O\n0.060909 0.017920 0.308610 O\n0.439091 0.517920 0.308610 O\n0.939091 0.982080 0.691390 O\n0.752077 0.430369 0.387521 O\n0.252077 0.069631 0.612479 O\n0.247923 0.569631 0.612479 O\n0.747923 0.930369 0.387521 O\n0.658445 0.109734 0.008145 O\n0.158445 0.390266 0.991855 O\n0.341555 0.890266 0.991855 O\n0.841555 0.609734 0.008145 O\n0.488589 0.228182 0.147728 O\n0.988589 0.271818 0.852272 O\n0.511411 0.771818 0.852272 O\n0.011411 0.728182 0.147728 O\n0.613166 0.098261 0.503692 O\n0.113166 0.401739 0.496308 O\n0.386834 0.901739 0.496308 O\n0.886834 0.598261 0.503692 O\n",
"nsites": 64,
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"elements": [
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"H",
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],
"chemical_system": "C-H-La-Na-O-P",
"density": 3.110387422086674,
"density_atomic": 0.08517056455417993,
"volume": 751.4333189524345,
"volume_molar": 7.0706831538836505,
"formula_full": "Na4 La4 P8 H16 C4 O28",
"formula_reduced": "NaLaP2H4CO7",
"formula_anonymous": "ABCD2E4F7",
"energy": -433.84697224,
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"updated_at": "2021-11-28T01:35:10.228000Z",
"spacegroup": 14
},
{
"id": "mp-1195797",
"created_at": "2022-09-04T14:41:04.272562Z",
"structure_string": "Hg4 Sb14 H4 Xe6 F118\n1.0\n10.321575 0.000000 0.000000\n-2.982733 12.893380 0.000000\n-2.845460 -1.675153 18.943309\nHg Sb H Xe F\n4 14 4 6 118\ndirect\n0.494593 0.098756 0.364766 Hg\n0.505407 0.901244 0.635234 Hg\n0.490622 0.340288 0.106564 Hg\n0.509378 0.659712 0.893436 Hg\n0.410597 0.800316 0.454893 Sb\n0.589403 0.199684 0.545107 Sb\n0.069531 0.014525 0.366059 Sb\n0.930469 0.985475 0.633941 Sb\n0.347571 0.025489 0.147396 Sb\n0.652429 0.974511 0.852604 Sb\n0.821722 0.312944 0.282827 Sb\n0.178278 0.687056 0.717173 Sb\n0.343610 0.369636 0.306797 Sb\n0.656390 0.630364 0.693203 Sb\n0.068357 0.321417 0.054261 Sb\n0.931643 0.678583 0.945739 Sb\n0.578284 0.617087 0.121568 Sb\n0.421716 0.382913 0.878432 Sb\n0.738225 0.006282 0.353574 H\n0.261775 0.993718 0.646426 H\n0.737935 0.302974 0.045617 H\n0.262065 0.697026 0.954383 H\n0.145031 0.316212 0.498954 Xe\n0.854969 0.683788 0.501046 Xe\n0.114736 0.597858 0.209277 Xe\n0.885264 0.402142 0.790723 Xe\n0.884668 0.020630 0.142656 Xe\n0.115332 0.979370 0.857344 Xe\n0.644531 0.995592 0.332039 F\n0.355469 0.004408 0.667961 F\n0.132454 0.365502 0.594770 F\n0.867546 0.634498 0.405230 F\n0.335782 0.386452 0.530727 F\n0.664218 0.613548 0.469273 F\n0.952051 0.254659 0.497986 F\n0.047949 0.745341 0.502014 F\n0.104070 0.451629 0.479373 F\n0.895930 0.548371 0.520627 F\n0.183977 0.196710 0.548264 F\n0.816023 0.803290 0.451736 F\n0.643600 0.270481 0.045818 F\n0.356400 0.729519 0.954182 F\n0.068489 0.732797 0.213653 F\n0.931511 0.267203 0.786347 F\n0.293457 0.684254 0.251457 F\n0.706543 0.315746 0.748543 F\n0.161729 0.640543 0.117733 F\n0.838271 0.359457 0.882267 F\n0.924778 0.554720 0.163471 F\n0.075222 0.445280 0.836529 F\n0.061756 0.597591 0.303844 F\n0.938244 0.402409 0.696156 F\n0.755640 0.907230 0.082918 F\n0.244360 0.092770 0.917082 F\n0.757884 0.098852 0.099178 F\n0.242116 0.901148 0.900822 F\n0.972153 0.906466 0.165845 F\n0.027847 0.093534 0.834155 F\n0.968437 0.027975 0.057442 F\n0.031563 0.972025 0.942558 F\n0.763398 0.972392 0.210154 F\n0.236602 0.027608 0.789846 F\n0.368285 0.665379 0.486981 F\n0.631715 0.334621 0.513019 F\n0.505100 0.758768 0.385622 F\n0.494900 0.241232 0.614378 F\n0.241646 0.778416 0.395271 F\n0.758354 0.221584 0.604729 F\n0.455432 0.942690 0.429142 F\n0.544568 0.057310 0.570858 F\n0.575968 0.836760 0.524995 F\n0.424032 0.163240 0.475005 F\n0.335013 0.853856 0.533586 F\n0.664987 0.146144 0.466414 F\n0.118111 0.973529 0.457059 F\n0.881889 0.026471 0.542941 F\n0.010645 0.875599 0.325134 F\n0.989355 0.124401 0.674866 F\n0.026010 0.064877 0.274935 F\n0.973990 0.935123 0.725065 F\n0.889272 0.015773 0.383438 F\n0.110728 0.984227 0.616562 F\n0.125308 0.160263 0.404730 F\n0.874692 0.839737 0.595270 F\n0.250197 0.026699 0.345538 F\n0.749803 0.973301 0.654462 F\n0.261785 0.979124 0.053452 F\n0.738215 0.020876 0.946548 F\n0.507134 0.985721 0.132890 F\n0.492866 0.014279 0.867110 F\n0.276498 0.899203 0.185429 F\n0.723502 0.100797 0.814571 F\n0.198581 0.081235 0.165734 F\n0.801419 0.918765 0.834266 F\n0.426182 0.162852 0.116691 F\n0.573818 0.837148 0.883309 F\n0.439789 0.085457 0.242541 F\n0.560211 0.914543 0.757459 F\n0.792562 0.434280 0.328374 F\n0.207438 0.565720 0.671626 F\n0.847067 0.188379 0.236521 F\n0.152933 0.811621 0.763479 F\n0.961828 0.394433 0.239543 F\n0.038172 0.605567 0.760457 F\n0.953382 0.300526 0.361627 F\n0.046618 0.699474 0.638373 F\n0.689008 0.320012 0.202108 F\n0.310992 0.679988 0.797892 F\n0.682501 0.226800 0.325621 F\n0.317499 0.773200 0.674379 F\n0.185710 0.275165 0.260457 F\n0.814290 0.724835 0.739543 F\n0.500140 0.464301 0.354098 F\n0.499860 0.535699 0.645902 F\n0.271168 0.485274 0.273334 F\n0.728832 0.514726 0.726666 F\n0.426085 0.360592 0.223331 F\n0.573915 0.639408 0.776669 F\n0.259286 0.376194 0.391023 F\n0.740714 0.623806 0.608977 F\n0.412978 0.254735 0.342235 F\n0.587022 0.745265 0.657765 F\n0.125327 0.423309 0.992869 F\n0.874673 0.576691 0.007131 F\n0.019444 0.212989 0.980541 F\n0.980556 0.787011 0.019459 F\n0.013963 0.225310 0.122372 F\n0.986037 0.774690 0.877628 F\n0.119092 0.430971 0.132027 F\n0.880908 0.569029 0.867973 F\n0.887925 0.345796 0.040491 F\n0.112075 0.654204 0.959509 F\n0.247388 0.296205 0.075946 F\n0.752612 0.703795 0.924054 F\n0.485933 0.724472 0.128726 F\n0.514067 0.275528 0.871274 F\n0.753074 0.704920 0.129033 F\n0.246926 0.295080 0.870967 F\n0.600053 0.602009 0.219867 F\n0.399947 0.397991 0.780133 F\n0.555868 0.620777 0.019730 F\n0.444132 0.379223 0.980270 F\n0.410549 0.509401 0.108733 F\n0.589451 0.490599 0.891267 F\n0.654649 0.493744 0.108492 F\n0.345351 0.506256 0.891508 F\n",
"nsites": 146,
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"H",
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"formula_full": "Hg4 Sb14 H4 Xe6 F118",
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{
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"created_at": "2022-09-04T14:41:04.275396Z",
"structure_string": "Nd1 Mg1 Tl2\n1.0\n0.000000 3.796977 3.796977\n3.796977 0.000000 3.796977\n3.796977 3.796977 0.000000\nNd Mg Tl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 Mg\n0.250000 0.250000 0.250000 Tl\n0.750000 0.750000 0.750000 Tl\n",
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"formula_full": "Nd1 Mg1 Tl2",
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"spacegroup": 225
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{
"id": "mp-1104435",
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"structure_string": "La6 Pd8\n1.0\n4.491786 -6.999404 0.000000\n4.491786 6.999404 0.000000\n-6.415156 0.000000 5.292785\nLa Pd\n6 8\ndirect\n0.971260 0.594503 0.720150 La\n0.720150 0.971260 0.594503 La\n0.594503 0.720150 0.971260 La\n0.028740 0.405497 0.279850 La\n0.279850 0.028740 0.405497 La\n0.405497 0.279850 0.028740 La\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 Pd\n0.941538 0.777939 0.446604 Pd\n0.446604 0.941538 0.777939 Pd\n0.777939 0.446604 0.941538 Pd\n0.058462 0.222061 0.553396 Pd\n0.553396 0.058462 0.222061 Pd\n0.222061 0.553396 0.058462 Pd\n",
"nsites": 14,
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"density": 8.406229324964302,
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"volume": 332.8084672195238,
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"formula_full": "La6 Pd8",
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"spacegroup": 148
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{
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"created_at": "2022-09-04T14:41:04.293308Z",
"structure_string": "Si2 Ni6 Mo4\n1.0\n2.387142 -4.069270 0.000000\n2.387142 4.069270 0.000000\n0.000000 0.000000 7.570470\nSi Ni Mo\n2 6 4\ndirect\n0.170911 0.335856 0.000000 Si\n0.664144 0.829089 0.000000 Si\n0.181805 0.818195 0.000000 Ni\n0.830890 0.661192 0.500000 Ni\n0.338808 0.169110 0.500000 Ni\n0.830394 0.169606 0.500000 Ni\n0.993337 0.006663 0.241007 Ni\n0.993337 0.006663 0.758993 Ni\n0.335073 0.664927 0.682897 Mo\n0.663053 0.336947 0.810915 Mo\n0.663053 0.336947 0.189085 Mo\n0.335073 0.664927 0.317103 Mo\n",
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"volume": 147.07796053059437,
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"formula_full": "Si2 Ni6 Mo4",
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{
"id": "mp-865921",
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"structure_string": "Mg1 Al1 Ir2\n1.0\n0.000000 3.056323 3.056323\n3.056323 0.000000 3.056323\n3.056323 3.056323 0.000000\nMg Al Ir\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Al\n0.250000 0.250000 0.250000 Ir\n0.750000 0.750000 0.750000 Ir\n",
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{
"id": "mp-1218569",
"created_at": "2022-09-04T14:41:04.284315Z",
"structure_string": "Sr5 Zn1 Pb3 O12\n1.0\n5.161696 -8.940319 0.000000\n5.161696 8.940319 0.000000\n0.000000 0.000000 3.587825\nSr Zn Pb O\n5 1 3 12\ndirect\n0.333333 0.666667 0.502118 Sr\n0.666667 0.333333 0.502118 Sr\n0.000000 0.301494 0.500856 Sr\n0.698506 0.698506 0.500856 Sr\n0.301494 0.000000 0.500856 Sr\n0.000000 0.000000 0.580995 Zn\n0.000000 0.660902 0.001359 Pb\n0.339098 0.339098 0.001359 Pb\n0.660902 0.000000 0.001359 Pb\n0.000000 0.818507 0.529673 O\n0.181493 0.181493 0.529673 O\n0.818507 0.000000 0.529673 O\n0.555861 0.761441 0.005988 O\n0.238559 0.794419 0.005988 O\n0.205581 0.444139 0.005988 O\n0.444139 0.205581 0.005988 O\n0.761441 0.555861 0.005988 O\n0.794419 0.238559 0.005988 O\n0.000000 0.534504 0.502676 O\n0.465496 0.465496 0.502676 O\n0.534504 0.000000 0.502676 O\n",
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