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{
"id": "mp-8760",
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"structure_string": "Dy5 P12 Ru19\n1.0\n6.266573 -10.854023 0.000000\n6.266573 10.854023 0.000000\n0.000000 0.000000 3.984727\nDy P Ru\n5 12 19\ndirect\n0.666667 0.333333 0.000000 Dy\n0.333333 0.666667 0.000000 Dy\n0.816165 0.000000 0.500000 Dy\n0.183835 0.183835 0.500000 Dy\n0.000000 0.816165 0.500000 Dy\n0.626778 0.000000 0.000000 P\n0.373222 0.373222 0.000000 P\n0.000000 0.626778 0.000000 P\n0.694231 0.522766 0.500000 P\n0.828536 0.305769 0.500000 P\n0.305769 0.828536 0.500000 P\n0.522766 0.694231 0.500000 P\n0.184542 0.000000 0.000000 P\n0.815458 0.815458 0.000000 P\n0.000000 0.184542 0.000000 P\n0.477234 0.171464 0.500000 P\n0.171464 0.477234 0.500000 P\n0.623213 0.808312 0.000000 Ru\n0.185099 0.376787 0.000000 Ru\n0.376787 0.185099 0.000000 Ru\n0.191688 0.814901 0.000000 Ru\n0.808312 0.623213 0.000000 Ru\n0.873867 0.507567 0.500000 Ru\n0.492433 0.366300 0.500000 Ru\n0.633700 0.126133 0.500000 Ru\n0.126133 0.633700 0.500000 Ru\n0.366300 0.492433 0.500000 Ru\n0.507567 0.873867 0.500000 Ru\n0.000000 0.000000 0.000000 Ru\n0.717370 0.717370 0.500000 Ru\n0.000000 0.282630 0.500000 Ru\n0.445011 0.000000 0.000000 Ru\n0.554989 0.554989 0.000000 Ru\n0.000000 0.445011 0.000000 Ru\n0.814901 0.191688 0.000000 Ru\n0.282630 0.000000 0.500000 Ru\n",
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{
"id": "mp-1186045",
"created_at": "2022-09-04T14:39:21.615038Z",
"structure_string": "Na3 Ga1\n1.0\n0.000000 3.825621 3.825621\n3.825621 0.000000 3.825621\n3.825621 3.825621 0.000000\nNa Ga\n3 1\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Ga\n",
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"spacegroup": 225
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{
"id": "mp-1177226",
"created_at": "2022-09-04T14:39:08.367862Z",
"structure_string": "Li8 V6 P16 O58\n1.0\n9.760354 0.000000 0.000000\n-4.875018 8.460284 0.000000\n-0.079622 -0.066106 14.324517\nLi V P O\n8 6 16 58\ndirect\n0.907989 0.673558 0.444306 Li\n0.322350 0.234701 0.445994 Li\n0.332338 0.092834 0.938034 Li\n0.902551 0.232135 0.936736 Li\n0.765433 0.096939 0.443915 Li\n0.231204 0.320150 0.055962 Li\n0.929152 0.916908 0.982693 Li\n0.995109 0.991661 0.512521 Li\n0.436378 0.998089 0.747053 V\n0.564561 0.000401 0.248800 V\n0.999939 0.565959 0.249266 V\n0.000229 0.437630 0.752718 V\n0.569986 0.568510 0.750569 V\n0.438582 0.437610 0.254403 V\n0.773683 0.689824 0.158380 P\n0.914551 0.690508 0.656679 P\n0.309834 0.223061 0.660170 P\n0.660990 0.329362 0.869579 P\n0.669708 0.332687 0.368729 P\n0.315070 0.089288 0.155130 P\n0.221603 0.917781 0.336067 P\n0.912944 0.227121 0.158156 P\n0.087721 0.782395 0.837447 P\n0.777496 0.089131 0.657105 P\n0.697264 0.914642 0.835942 P\n0.333703 0.661960 0.635303 P\n0.330102 0.664626 0.135097 P\n0.695380 0.780901 0.340275 P\n0.084947 0.306985 0.339347 P\n0.228280 0.315334 0.840512 P\n0.797015 0.793715 0.421664 O\n0.743031 0.659591 0.672366 O\n0.004731 0.801204 0.918128 O\n0.913768 0.655758 0.174278 O\n0.618208 0.533650 0.172473 O\n0.662467 0.475048 0.821148 O\n0.464758 0.381697 0.671317 O\n0.233744 0.230721 0.927621 O\n0.338268 0.257681 0.166927 O\n0.815148 0.486869 0.328770 O\n0.915160 0.535659 0.668628 O\n0.514166 0.323434 0.330766 O\n0.641307 0.322063 0.972955 O\n0.674888 0.328745 0.472694 O\n0.511950 0.181456 0.824071 O\n0.907442 0.381706 0.175735 O\n0.812198 0.326688 0.837365 O\n0.343032 0.083099 0.670498 O\n0.197570 0.984752 0.237388 O\n0.210209 0.011031 0.414885 O\n0.245590 0.020277 0.062681 O\n0.474882 0.093942 0.176655 O\n0.675960 0.186425 0.325244 O\n0.264670 0.917857 0.836713 O\n0.618400 0.086305 0.672104 O\n0.913238 0.259083 0.674562 O\n0.017270 0.808023 0.740387 O\n0.976550 0.775758 0.566141 O\n0.989684 0.201885 0.417151 O\n0.084400 0.743154 0.339344 O\n0.383070 0.922844 0.326418 O\n0.743896 0.084388 0.168017 O\n0.339348 0.814790 0.681643 O\n0.544930 0.924880 0.828221 O\n0.804991 0.004608 0.915984 O\n0.790815 0.024252 0.565308 O\n0.791781 0.985181 0.739267 O\n0.659231 0.919919 0.338330 O\n0.183985 0.665879 0.183550 O\n0.080616 0.621006 0.828424 O\n0.477386 0.814879 0.181355 O\n0.323304 0.669605 0.032141 O\n0.339652 0.672167 0.532290 O\n0.484689 0.666658 0.680092 O\n0.079648 0.462106 0.327597 O\n0.191607 0.519705 0.680997 O\n0.658086 0.740526 0.836071 O\n0.793074 0.802877 0.246162 O\n0.792191 0.778876 0.072205 O\n0.537414 0.622445 0.329946 O\n0.326632 0.514476 0.173999 O\n0.382931 0.471642 0.825062 O\n0.084018 0.340033 0.843486 O\n0.990665 0.230865 0.067072 O\n0.015874 0.212217 0.240581 O\n0.258473 0.342436 0.342482 O\n0.221146 0.202847 0.570734 O\n0.201107 0.205325 0.749438 O\n",
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"elements": [
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"formula_full": "Li8 V6 P16 O58",
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{
"id": "mp-558088",
"created_at": "2022-09-04T14:39:05.641321Z",
"structure_string": "Al18 P18 O72\n1.0\n16.222783 9.372556 0.000000\n-16.222783 9.372556 0.000000\n0.000000 0.004039 8.528252\nAl P O\n18 18 72\ndirect\n0.316630 0.493368 0.262587 Al\n0.574116 0.990880 0.761898 Al\n0.662182 0.166676 0.263514 Al\n0.493368 0.316630 0.262587 Al\n0.416562 0.989805 0.261122 Al\n0.564422 0.564422 0.264459 Al\n0.155564 0.492630 0.764540 Al\n0.485083 0.813813 0.264469 Al\n0.166676 0.662182 0.263514 Al\n0.404713 0.404713 0.762686 Al\n0.481804 0.650627 0.764105 Al\n0.813813 0.485083 0.264469 Al\n0.990880 0.574116 0.761898 Al\n0.989805 0.416562 0.261122 Al\n0.327095 0.820340 0.764275 Al\n0.650627 0.481804 0.764105 Al\n0.492630 0.155564 0.764540 Al\n0.820340 0.327095 0.764275 Al\n0.158512 0.494498 0.389375 P\n0.313989 0.491797 0.890658 P\n0.325595 0.821101 0.388529 P\n0.988043 0.413015 0.886540 P\n0.662266 0.167598 0.890894 P\n0.403100 0.403100 0.389172 P\n0.576991 0.990945 0.390000 P\n0.990945 0.576991 0.390000 P\n0.482026 0.652572 0.388676 P\n0.821101 0.325595 0.388529 P\n0.566232 0.566232 0.885086 P\n0.491797 0.313989 0.890658 P\n0.167598 0.662266 0.890894 P\n0.494498 0.158512 0.389375 P\n0.486848 0.812715 0.890095 P\n0.413015 0.988043 0.886540 P\n0.812715 0.486848 0.890095 P\n0.652572 0.482026 0.388676 P\n0.388570 0.804986 0.301890 O\n0.488438 0.291555 0.064478 O\n0.589876 0.404238 0.298865 O\n0.471412 0.629431 0.563255 O\n0.629431 0.471412 0.563255 O\n0.080211 0.647553 0.858554 O\n0.600142 0.995892 0.564025 O\n0.491256 0.796858 0.065195 O\n0.173744 0.585569 0.849537 O\n0.796858 0.491256 0.065195 O\n0.494384 0.739294 0.370490 O\n0.347465 0.834265 0.563463 O\n0.909191 0.331044 0.848298 O\n0.495689 0.139650 0.563915 O\n0.480023 0.989147 0.779598 O\n0.420247 0.329651 0.852916 O\n0.683128 0.188686 0.064591 O\n0.176329 0.576398 0.313092 O\n0.382949 0.382949 0.563754 O\n0.558330 0.899067 0.847108 O\n0.995892 0.600142 0.564025 O\n0.647553 0.080211 0.858554 O\n0.083597 0.421529 0.308221 O\n0.899067 0.558330 0.847108 O\n0.390487 0.575958 0.855059 O\n0.066763 0.408951 0.851431 O\n0.739294 0.494384 0.370490 O\n0.435604 0.987163 0.060329 O\n0.484744 0.484744 0.372302 O\n0.911326 0.567533 0.317987 O\n0.327648 0.898512 0.318849 O\n0.233540 0.483108 0.372316 O\n0.575958 0.390487 0.855059 O\n0.066840 0.644895 0.303628 O\n0.576398 0.176329 0.313092 O\n0.333762 0.411536 0.310239 O\n0.644895 0.066840 0.303628 O\n0.404238 0.589876 0.298865 O\n0.548644 0.548644 0.061751 O\n0.238485 0.747603 0.369308 O\n0.834265 0.347465 0.563463 O\n0.735405 0.229240 0.791286 O\n0.497331 0.497331 0.786549 O\n0.989147 0.480023 0.779598 O\n0.421529 0.083597 0.308221 O\n0.229240 0.735405 0.791286 O\n0.411536 0.333762 0.310239 O\n0.567533 0.911326 0.317987 O\n0.804605 0.402605 0.853618 O\n0.241086 0.480694 0.791012 O\n0.139650 0.495689 0.563915 O\n0.585569 0.173744 0.849537 O\n0.329651 0.420247 0.852916 O\n0.990182 0.494796 0.374612 O\n0.408951 0.066763 0.851431 O\n0.188686 0.683128 0.064591 O\n0.651774 0.558607 0.321782 O\n0.568209 0.647247 0.842316 O\n0.494796 0.990182 0.374612 O\n0.898512 0.327648 0.318849 O\n0.402605 0.804605 0.853618 O\n0.747603 0.238485 0.369308 O\n0.496844 0.749018 0.794532 O\n0.483108 0.233540 0.372316 O\n0.804986 0.388570 0.301890 O\n0.558607 0.651774 0.321782 O\n0.331044 0.909191 0.848298 O\n0.291555 0.488438 0.064478 O\n0.480694 0.241086 0.791012 O\n0.987163 0.435604 0.060329 O\n0.647247 0.568209 0.842316 O\n0.749018 0.496844 0.794532 O\n",
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{
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"structure_string": "Li1 Sc2 Ga1\n1.0\n0.000000 3.378996 3.378996\n3.378996 0.000000 3.378996\n3.378996 3.378996 0.000000\nLi Sc Ga\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.250000 0.250000 0.250000 Sc\n0.750000 0.750000 0.750000 Sc\n0.500000 0.500000 0.500000 Ga\n",
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"formula_full": "Li1 Sc2 Ga1",
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"spacegroup": 225
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{
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"structure_string": "La3 Mn9 Ni6\n1.0\n4.563376 -7.904000 0.000000\n4.563376 7.904000 0.000000\n0.000000 0.000000 4.161008\nLa Mn Ni\n3 9 6\ndirect\n0.666667 0.333333 0.500000 La\n0.333333 0.666667 0.500000 La\n0.000000 0.000000 0.000000 La\n0.000000 0.500000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.695723 0.000000 0.500000 Mn\n0.695723 0.695723 0.500000 Mn\n0.000000 0.304277 0.500000 Mn\n0.000000 0.695723 0.500000 Mn\n0.304277 0.000000 0.500000 Mn\n0.304277 0.304277 0.500000 Mn\n0.820134 0.179866 0.000000 Ni\n0.179866 0.820134 0.000000 Ni\n0.640269 0.820134 0.000000 Ni\n0.359731 0.179866 0.000000 Ni\n0.179866 0.359731 0.000000 Ni\n0.820134 0.640269 0.000000 Ni\n",
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"formula_full": "La3 Mn9 Ni6",
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{
"id": "mp-1220841",
"created_at": "2022-09-04T14:39:32.526387Z",
"structure_string": "Na4 B16 Ir12\n1.0\n5.717713 5.005521 0.000000\n-5.717713 5.005521 0.000000\n0.000000 0.000000 8.315731\nNa B Ir\n4 16 12\ndirect\n0.001517 0.998483 0.500000 Na\n0.501517 0.498483 0.500000 Na\n0.159648 0.340352 0.823560 Na\n0.659648 0.840352 0.176440 Na\n0.157218 0.155333 0.184739 B\n0.844667 0.842782 0.815261 B\n0.657218 0.655333 0.815261 B\n0.344667 0.342782 0.184739 B\n0.911452 0.409697 0.499993 B\n0.590303 0.088548 0.500007 B\n0.090303 0.588548 0.499993 B\n0.411452 0.909697 0.500007 B\n0.214142 0.943786 0.162889 B\n0.056214 0.785858 0.837111 B\n0.445817 0.713814 0.837251 B\n0.286186 0.554183 0.162749 B\n0.786186 0.054183 0.837251 B\n0.945817 0.213814 0.162749 B\n0.556214 0.285858 0.162889 B\n0.714142 0.443786 0.837111 B\n0.109903 0.390097 0.313053 Ir\n0.609903 0.890097 0.686947 Ir\n0.892182 0.607818 0.687823 Ir\n0.392182 0.107818 0.312177 Ir\n0.750953 0.249047 0.000000 Ir\n0.250953 0.749047 0.000000 Ir\n0.000953 0.999047 0.000000 Ir\n0.500953 0.499047 0.000000 Ir\n0.751030 0.249184 0.665281 Ir\n0.750816 0.248970 0.334719 Ir\n0.251030 0.749184 0.334719 Ir\n0.250816 0.748970 0.665281 Ir\n",
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