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{
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{
"id": "mp-1225803",
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{
"id": "mp-1209375",
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"structure_string": "Rb3 Dy1 P2 O8\n1.0\n2.874101 -4.978088 0.000000\n2.874101 4.978088 0.000000\n0.000000 0.000000 8.241215\nRb Dy P O\n3 1 2 8\ndirect\n0.333333 0.666667 0.758234 Rb\n0.666667 0.333333 0.241766 Rb\n0.000000 0.000000 0.000000 Rb\n0.000000 0.000000 0.500000 Dy\n0.333333 0.666667 0.276243 P\n0.666667 0.333333 0.723757 P\n0.333333 0.666667 0.090407 O\n0.666667 0.333333 0.909593 O\n0.185549 0.814451 0.341650 O\n0.814451 0.185549 0.658350 O\n0.185549 0.371099 0.341650 O\n0.814451 0.628901 0.658350 O\n0.628901 0.814451 0.341650 O\n0.371099 0.185549 0.658350 O\n",
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"formula_full": "Rb3 Dy1 P2 O8",
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},
{
"id": "mp-1215992",
"created_at": "2022-09-04T14:42:01.586993Z",
"structure_string": "Y3 Er3 Al18\n1.0\n14.074235 -3.122141 0.000000\n14.074235 3.122141 0.000000\n13.381639 0.000000 5.363171\nY Er Al\n3 3 18\ndirect\n0.108792 0.108792 0.108792 Y\n0.891342 0.891342 0.891342 Y\n0.391083 0.391083 0.391083 Y\n0.999894 0.999894 0.999894 Er\n0.499985 0.499985 0.499985 Er\n0.608767 0.608767 0.608767 Er\n0.929084 0.368597 0.368597 Al\n0.430283 0.867500 0.867500 Al\n0.368597 0.368597 0.929084 Al\n0.867500 0.867500 0.430283 Al\n0.368597 0.929084 0.368597 Al\n0.867500 0.430283 0.867500 Al\n0.570030 0.132236 0.132236 Al\n0.069705 0.632405 0.632405 Al\n0.132236 0.132236 0.570030 Al\n0.632405 0.632405 0.069705 Al\n0.132236 0.570030 0.132236 Al\n0.632405 0.069705 0.632405 Al\n0.500746 0.500746 0.997840 Al\n0.000208 0.000208 0.499811 Al\n0.500746 0.997840 0.500746 Al\n0.000208 0.499811 0.000208 Al\n0.997840 0.500746 0.500746 Al\n0.499811 0.000208 0.000208 Al\n",
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],
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"spacegroup": 160
},
{
"id": "mp-1183579",
"created_at": "2022-09-04T14:42:46.050505Z",
"structure_string": "Ca1 La1 Au2\n1.0\n0.000000 3.721683 3.721683\n3.721683 0.000000 3.721683\n3.721683 3.721683 0.000000\nCa La Au\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 La\n0.750000 0.750000 0.750000 Au\n0.250000 0.250000 0.250000 Au\n",
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],
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"volume": 103.09749939388864,
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"formula_full": "Ca1 La1 Au2",
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"updated_at": "2021-11-28T01:35:57.017000Z",
"spacegroup": 225
},
{
"id": "mp-20737",
"created_at": "2022-09-04T14:42:01.536350Z",
"structure_string": "K2 Na2 Eu2 Nb2 O10\n1.0\n5.761141 0.000000 0.000000\n0.000000 5.761141 0.000000\n0.000000 0.000000 8.388723\nK Na Eu Nb O\n2 2 2 2 10\ndirect\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 K\n0.000000 0.500000 0.242763 Na\n0.500000 0.000000 0.757237 Na\n0.000000 0.000000 0.500000 Eu\n0.500000 0.500000 0.500000 Eu\n0.500000 0.000000 0.259231 Nb\n0.000000 0.500000 0.740769 Nb\n0.000000 0.500000 0.964256 O\n0.500000 0.000000 0.035744 O\n0.231470 0.731470 0.668907 O\n0.768530 0.268530 0.668907 O\n0.731470 0.231470 0.331093 O\n0.231470 0.268530 0.668907 O\n0.768530 0.731470 0.668907 O\n0.268530 0.231470 0.331093 O\n0.268530 0.768530 0.331093 O\n0.731470 0.768530 0.331093 O\n",
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"elements": [
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"density": 4.6155897184286685,
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"formula_full": "K2 Na2 Eu2 Nb2 O10",
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},
{
"id": "mp-1219607",
"created_at": "2022-09-04T14:42:01.541921Z",
"structure_string": "Rb1 Ba2 Fe2 F9\n1.0\n7.263223 -2.996096 0.000000\n7.263223 2.996096 0.000000\n6.027326 0.000000 5.040073\nRb Ba Fe F\n1 2 2 9\ndirect\n0.213392 0.213392 0.213392 Rb\n0.999165 0.999165 0.999165 Ba\n0.793122 0.793122 0.793122 Ba\n0.391560 0.391560 0.391560 Fe\n0.604343 0.604343 0.604343 Fe\n0.265542 0.782170 0.265542 F\n0.782170 0.265542 0.265542 F\n0.265542 0.265542 0.782170 F\n0.734947 0.210256 0.734947 F\n0.210256 0.734947 0.734947 F\n0.734947 0.734947 0.210256 F\n0.992659 0.506178 0.506178 F\n0.506178 0.506178 0.992659 F\n0.506178 0.992659 0.506178 F\n",
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"elements": [
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],
"chemical_system": "Ba-F-Fe-Rb",
"density": 4.865991016460432,
"density_atomic": 0.0638228377235315,
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"energy": -82.95883435,
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{
"id": "mp-1244878",
"created_at": "2022-09-04T14:42:01.543273Z",
"structure_string": "Al40 O60\n1.0\n10.513504 0.547644 -0.328204\n0.556115 10.284425 0.241647\n-0.332270 0.262675 10.358245\nAl O\n40 60\ndirect\n0.106944 0.324131 0.570364 Al\n0.865023 0.207886 0.444159 Al\n0.124586 0.740587 0.611105 Al\n0.008493 0.580764 0.826786 Al\n0.692022 0.791818 0.415536 Al\n0.309053 0.329666 0.744478 Al\n0.372269 0.144732 0.505359 Al\n0.087652 0.924596 0.823445 Al\n0.198901 0.423799 0.073223 Al\n0.744018 0.595253 0.891418 Al\n0.474751 0.690258 0.366583 Al\n0.544449 0.198931 0.888702 Al\n0.629168 0.129163 0.391626 Al\n0.776670 0.071240 0.699691 Al\n0.270130 0.659331 0.948609 Al\n0.890798 0.086260 0.979485 Al\n0.365746 0.026043 0.759992 Al\n0.175989 0.923044 0.115061 Al\n0.430643 0.912579 0.996487 Al\n0.552603 0.826913 0.697466 Al\n0.604346 0.314092 0.589769 Al\n0.969465 0.768331 0.291831 Al\n0.951195 0.433290 0.276358 Al\n0.985194 0.107243 0.253135 Al\n0.316781 0.857477 0.498644 Al\n0.081705 0.071110 0.520606 Al\n0.712479 0.981780 0.134081 Al\n0.504567 0.470343 0.951196 Al\n0.759239 0.331042 0.803620 Al\n0.653220 0.577874 0.610638 Al\n0.401218 0.451000 0.219692 Al\n0.813630 0.856897 0.838016 Al\n0.472122 0.973392 0.257329 Al\n0.942157 0.596985 0.510321 Al\n0.128168 0.194753 0.893919 Al\n0.681352 0.285110 0.161022 Al\n0.275622 0.165824 0.187490 Al\n0.927540 0.379620 0.033145 Al\n0.741692 0.680607 0.188711 Al\n0.356628 0.528363 0.529331 Al\n0.228596 0.255132 0.017190 O\n0.515333 0.477124 0.593365 O\n0.882225 0.697275 0.866431 O\n0.654128 0.674995 0.749563 O\n0.889581 0.457654 0.872903 O\n0.008243 0.446926 0.455023 O\n0.967208 0.263087 0.317613 O\n0.199279 0.182491 0.498534 O\n0.605675 0.110706 0.215243 O\n0.622569 0.678843 0.302470 O\n0.428169 0.342599 0.871191 O\n0.408997 0.962514 0.591538 O\n0.982543 0.209342 0.580268 O\n0.259775 0.417608 0.590174 O\n0.924509 0.942312 0.743819 O\n0.293016 0.333267 0.227963 O\n0.443484 0.863005 0.819868 O\n0.342354 0.009415 0.120976 O\n0.657187 0.451491 0.882755 O\n0.285828 0.690876 0.551912 O\n0.375154 0.095490 0.339342 O\n0.148382 0.765969 0.786204 O\n0.138492 0.075231 0.206471 O\n0.850708 0.169597 0.815319 O\n0.627678 0.221510 0.742034 O\n0.545610 0.729838 0.529307 O\n0.778723 0.657115 0.518478 O\n0.015784 0.736867 0.459044 O\n0.162219 0.912364 0.555316 O\n0.452906 0.070328 0.909602 O\n0.610042 0.950892 0.402989 O\n0.303178 0.551260 0.103887 O\n0.537196 0.409630 0.127957 O\n0.782544 0.950593 0.973814 O\n0.894573 0.609617 0.271043 O\n0.810220 0.395575 0.145339 O\n0.795516 0.836484 0.259494 O\n0.403014 0.543582 0.362863 O\n0.142290 0.309420 0.757737 O\n0.564636 0.892190 0.123182 O\n0.147882 0.538220 0.925513 O\n0.989316 0.224839 0.992579 O\n0.511456 0.231271 0.477091 O\n0.719538 0.267554 0.341000 O\n0.745194 0.136085 0.539891 O\n0.084578 0.821384 0.203017 O\n0.377463 0.838030 0.340037 O\n0.953731 0.039704 0.407946 O\n0.045104 0.441369 0.136080 O\n0.050341 0.981035 0.977228 O\n0.031654 0.597694 0.661255 O\n0.282732 0.818919 0.014387 O\n0.675239 0.216019 0.999970 O\n0.684619 0.928694 0.720956 O\n0.194739 0.049305 0.801133 O\n0.701192 0.662356 0.032439 O\n0.411812 0.605406 0.883212 O\n0.743072 0.408299 0.635563 O\n0.378270 0.183311 0.680736 O\n0.854299 0.079769 0.150593 O\n",
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{
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"structure_string": "Mo8 Ru4 Se16\n1.0\n6.728990 0.000000 0.000000\n-0.800172 9.273812 0.000000\n-0.103072 -0.017265 9.818786\nMo Ru Se\n8 4 16\ndirect\n0.766258 0.518791 0.066792 Mo\n0.766518 0.019713 0.565947 Mo\n0.582927 0.107627 0.345636 Mo\n0.543514 0.326446 0.911320 Mo\n0.456486 0.673554 0.088680 Mo\n0.417073 0.892373 0.654364 Mo\n0.233482 0.980287 0.434053 Mo\n0.233742 0.481209 0.933208 Mo\n0.548538 0.818789 0.408445 Ru\n0.587925 0.610124 0.837766 Ru\n0.412075 0.389876 0.162234 Ru\n0.451462 0.181211 0.591555 Ru\n0.866916 0.944846 0.319803 Se\n0.869022 0.451076 0.819036 Se\n0.719946 0.251571 0.128412 Se\n0.735124 0.747499 0.617293 Se\n0.779101 0.284418 0.504471 Se\n0.784301 0.782374 0.992935 Se\n0.629633 0.566186 0.303503 Se\n0.625264 0.078791 0.798219 Se\n0.374736 0.921209 0.201781 Se\n0.370367 0.433814 0.696497 Se\n0.220899 0.715582 0.495529 Se\n0.264876 0.252501 0.382707 Se\n0.215699 0.217626 0.007065 Se\n0.280054 0.748429 0.871588 Se\n0.130978 0.548924 0.180964 Se\n0.133084 0.055154 0.680197 Se\n",
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},
{
"id": "mp-1206394",
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"structure_string": "Eu1 Mg2 As2\n1.0\n2.209504 -3.826973 0.000000\n2.209504 3.826973 0.000000\n0.000000 0.000000 7.318466\nEu Mg As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Eu\n0.333333 0.666667 0.631165 Mg\n0.666667 0.333333 0.368835 Mg\n0.333333 0.666667 0.256721 As\n0.666667 0.333333 0.743279 As\n",
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