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{
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"structure_string": "Rb4 Pr2 H16 N10 O38\n1.0\n4.531929 5.589325 0.000000\n-4.531929 5.589325 0.000000\n0.000000 3.753974 18.142797\nRb Pr H N O\n4 2 16 10 38\ndirect\n0.053570 0.867585 0.622640 Rb\n0.867585 0.053570 0.122640 Rb\n0.643156 0.456175 0.570548 Rb\n0.456175 0.643156 0.070548 Rb\n0.305276 0.200367 0.398644 Pr\n0.200367 0.305276 0.898644 Pr\n0.100760 0.833958 0.421112 H\n0.833958 0.100760 0.921112 H\n0.933539 0.005596 0.438716 H\n0.005596 0.933539 0.938716 H\n0.672272 0.405316 0.372846 H\n0.405316 0.672272 0.872846 H\n0.502853 0.577535 0.358332 H\n0.577535 0.502853 0.858332 H\n0.781623 0.478757 0.181263 H\n0.478757 0.781623 0.681263 H\n0.624955 0.378801 0.230070 H\n0.378801 0.624955 0.730070 H\n0.232520 0.888927 0.208897 H\n0.888927 0.232520 0.708897 H\n0.192270 0.679477 0.224959 H\n0.679477 0.192270 0.724959 H\n0.954667 0.540102 0.402088 N\n0.540102 0.954667 0.902088 N\n0.917412 0.567634 0.799630 N\n0.567634 0.917412 0.299630 N\n0.362864 0.156397 0.050933 N\n0.156397 0.362864 0.550933 N\n0.297907 0.177735 0.742271 N\n0.177735 0.297907 0.242271 N\n0.965041 0.581612 0.008551 N\n0.581612 0.965041 0.508551 N\n0.811673 0.664545 0.415999 O\n0.664545 0.811673 0.915999 O\n0.566410 0.124332 0.904581 O\n0.124332 0.566410 0.404581 O\n0.376994 0.939326 0.886042 O\n0.939326 0.376994 0.386042 O\n0.815951 0.662319 0.753593 O\n0.662319 0.815951 0.253593 O\n0.094725 0.577061 0.795927 O\n0.577061 0.094725 0.295927 O\n0.851453 0.453144 0.853600 O\n0.453144 0.851453 0.353600 O\n0.457377 0.084835 0.102638 O\n0.084835 0.457377 0.602638 O\n0.261774 0.059606 0.025877 O\n0.059606 0.261774 0.525877 O\n0.363856 0.326958 0.019229 O\n0.326958 0.363856 0.519229 O\n0.343113 0.112028 0.682559 O\n0.112028 0.343113 0.182559 O\n0.132688 0.177291 0.779714 O\n0.177291 0.132688 0.279714 O\n0.416241 0.249223 0.770064 O\n0.249223 0.416241 0.270064 O\n0.877103 0.683452 0.056113 O\n0.683452 0.877103 0.556113 O\n0.942297 0.409472 0.010193 O\n0.409472 0.942297 0.510193 O\n0.082720 0.644880 0.955497 O\n0.644880 0.082720 0.455497 O\n0.072885 0.961950 0.437343 O\n0.961950 0.072885 0.937343 O\n0.538244 0.436395 0.362677 O\n0.436395 0.538244 0.862677 O\n0.676718 0.414274 0.178903 O\n0.414274 0.676718 0.678903 O\n0.183544 0.794702 0.188269 O\n0.794702 0.183544 0.688269 O\n",
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"volume_molar": 7.907324463684218,
"formula_full": "Rb4 Pr2 H16 N10 O38",
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"energy": -436.18238386,
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"spacegroup": 9
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{
"id": "mp-1189194",
"created_at": "2022-09-04T14:42:14.623801Z",
"structure_string": "Na4 Nb4 O12\n1.0\n5.626237 0.000000 0.000000\n0.000000 5.679295 0.000000\n0.000000 0.000000 7.888613\nNa Nb O\n4 4 12\ndirect\n0.505060 0.507091 0.250000 Na\n0.994940 0.007091 0.250000 Na\n0.494940 0.492909 0.750000 Na\n0.005060 0.992909 0.750000 Na\n0.500000 0.000000 0.000000 Nb\n0.000000 0.500000 0.500000 Nb\n0.500000 0.000000 0.500000 Nb\n0.000000 0.500000 0.000000 Nb\n0.435678 0.998580 0.250000 O\n0.064322 0.498580 0.250000 O\n0.564322 0.001420 0.750000 O\n0.935678 0.501420 0.750000 O\n0.751244 0.751470 0.033258 O\n0.748756 0.251470 0.466742 O\n0.248756 0.248530 0.533258 O\n0.251244 0.748530 0.966742 O\n0.248756 0.248530 0.966742 O\n0.251244 0.748530 0.533258 O\n0.751244 0.751470 0.466742 O\n0.748756 0.251470 0.033258 O\n",
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"formula_full": "Na4 Nb4 O12",
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{
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"created_at": "2022-09-04T14:42:14.658228Z",
"structure_string": "Mg2 Cr4 S8\n1.0\n0.000000 5.101452 5.101452\n5.101452 0.000000 5.101452\n5.101452 5.101452 0.000000\nMg Cr S\n2 4 8\ndirect\n0.750000 0.750000 0.750000 Mg\n0.500000 0.500000 0.500000 Mg\n0.125000 0.625000 0.125000 Cr\n0.125000 0.125000 0.625000 Cr\n0.625000 0.125000 0.125000 Cr\n0.125000 0.125000 0.125000 Cr\n0.888281 0.335158 0.888281 S\n0.361719 0.361719 0.914842 S\n0.361719 0.361719 0.361719 S\n0.914842 0.361719 0.361719 S\n0.888281 0.888281 0.888281 S\n0.335158 0.888281 0.888281 S\n0.361719 0.914842 0.361719 S\n0.888281 0.888281 0.335158 S\n",
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"volume": 265.5286636402249,
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"formula_full": "Mg2 Cr4 S8",
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"updated_at": "2021-11-28T01:35:40.587000Z",
"spacegroup": 227
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{
"id": "mp-1223140",
"created_at": "2022-09-04T14:42:14.700370Z",
"structure_string": "La1 Ce1 Co5 Ni5\n1.0\n0.000000 0.000000 -4.010721\n-2.469596 -4.277465 0.000000\n-7.331746 4.232986 0.000000\nLa Ce Co Ni\n1 1 5 5\ndirect\n0.000000 0.499976 0.500000 La\n0.000000 0.000011 0.000000 Ce\n0.000000 0.999999 0.330507 Co\n0.000000 0.499959 0.845522 Co\n0.000000 0.499959 0.154478 Co\n0.000000 0.999999 0.669493 Co\n0.500000 0.999986 0.500000 Co\n0.500000 0.499981 0.000000 Ni\n0.500000 0.247809 0.246599 Ni\n0.500000 0.752156 0.753406 Ni\n0.500000 0.752156 0.246594 Ni\n0.500000 0.247809 0.753401 Ni\n",
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"elements": [
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"formula_full": "La1 Ce1 Co5 Ni5",
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{
"id": "mp-1013577",
"created_at": "2022-09-04T14:42:14.884034Z",
"structure_string": "Na8 Co4 P8 O28\n1.0\n-1.986973 5.817816 -2.234133\n-10.565980 -0.119764 1.029465\n3.250694 5.852881 6.727375\nNa Co P O\n8 4 8 28\ndirect\n0.416766 0.685719 0.723894 Na\n0.415914 0.186238 0.723799 Na\n0.583583 0.314240 0.276212 Na\n0.583932 0.813778 0.276331 Na\n0.257852 0.553050 0.968862 Na\n0.256406 0.053506 0.969413 Na\n0.742485 0.447242 0.031420 Na\n0.742724 0.946924 0.031163 Na\n0.767516 0.361802 0.631652 Co\n0.232391 0.638128 0.368480 Co\n0.766780 0.862155 0.631449 Co\n0.233099 0.138040 0.368266 Co\n0.228843 0.432282 0.609501 P\n0.228910 0.932116 0.608981 P\n0.770988 0.567581 0.390449 P\n0.770860 0.068086 0.390833 P\n0.805488 0.644099 0.860476 P\n0.806473 0.144142 0.860163 P\n0.194437 0.355818 0.139680 P\n0.193994 0.855864 0.139935 P\n0.114961 0.320835 0.574621 O\n0.113769 0.821329 0.574386 O\n0.884974 0.678987 0.425007 O\n0.885639 0.179046 0.425421 O\n0.271813 0.494760 0.486096 O\n0.272504 0.994314 0.485418 O\n0.727864 0.505358 0.514096 O\n0.726692 0.006254 0.514742 O\n0.433860 0.378223 0.658579 O\n0.433892 0.877378 0.657795 O\n0.566117 0.621471 0.341172 O\n0.566411 0.122240 0.341272 O\n0.069555 0.556246 0.768839 O\n0.070591 0.056493 0.768241 O\n0.930322 0.443287 0.231380 O\n0.929950 0.943371 0.232060 O\n0.676137 0.541452 0.827726 O\n0.677384 0.041343 0.827779 O\n0.323662 0.458528 0.172323 O\n0.323189 0.958650 0.172159 O\n0.807806 0.187835 0.026720 O\n0.806292 0.687373 0.027198 O\n0.192391 0.812311 0.973382 O\n0.193697 0.312407 0.972925 O\n0.738767 0.764379 0.802327 O\n0.739081 0.264361 0.802015 O\n0.261687 0.235433 0.197525 O\n0.261551 0.735526 0.197837 O\n",
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{
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"structure_string": "U6 Sb8\n1.0\n-4.551114 4.551114 4.551114\n4.551114 -4.551114 4.551114\n4.551114 4.551114 -4.551114\nU Sb\n6 8\ndirect\n0.875000 0.250000 0.125000 U\n0.125000 0.875000 0.250000 U\n0.375000 0.625000 0.750000 U\n0.250000 0.125000 0.875000 U\n0.750000 0.375000 0.625000 U\n0.625000 0.750000 0.375000 U\n0.500000 0.000000 0.659210 Sb\n0.159210 0.500000 0.000000 Sb\n0.340790 0.340790 0.340790 Sb\n0.000000 0.159210 0.500000 Sb\n0.840790 0.840790 0.840790 Sb\n0.000000 0.659210 0.500000 Sb\n0.500000 0.000000 0.159210 Sb\n0.659210 0.500000 0.000000 Sb\n",
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},
{
"id": "mp-1043286",
"created_at": "2022-09-04T14:42:14.894136Z",
"structure_string": "Ca8 Co8 Sn16 O56\n1.0\n15.192268 0.000000 0.000000\n0.000000 7.581550 0.000000\n0.000000 3.336487 10.389226\nCa Co Sn O\n8 8 16 56\ndirect\n0.528407 0.922976 0.770018 Ca\n0.883904 0.698784 0.953253 Ca\n0.383904 0.301216 0.546747 Ca\n0.116096 0.301216 0.046747 Ca\n0.616096 0.698784 0.453253 Ca\n0.971593 0.922976 0.270018 Ca\n0.471593 0.077024 0.229982 Ca\n0.028407 0.077024 0.729982 Ca\n0.657174 0.362340 0.098842 Co\n0.157174 0.637660 0.401158 Co\n0.342826 0.637660 0.901158 Co\n0.842826 0.362340 0.598842 Co\n0.751330 0.025051 0.250958 Co\n0.251330 0.974949 0.249042 Co\n0.248670 0.974949 0.749042 Co\n0.748670 0.025051 0.750958 Co\n0.872707 0.179484 0.960925 Sn\n0.021462 0.599205 0.685033 Sn\n0.478538 0.599205 0.185033 Sn\n0.978538 0.400795 0.314967 Sn\n0.724111 0.521009 0.771438 Sn\n0.224111 0.478991 0.728562 Sn\n0.275889 0.478991 0.228562 Sn\n0.775889 0.521009 0.271438 Sn\n0.521462 0.400795 0.814967 Sn\n0.154804 0.144096 0.436547 Sn\n0.654804 0.855904 0.063453 Sn\n0.845196 0.855904 0.563453 Sn\n0.372707 0.820516 0.539075 Sn\n0.627293 0.179484 0.460925 Sn\n0.127293 0.820516 0.039075 Sn\n0.345196 0.144096 0.936547 Sn\n0.002631 0.152927 0.943676 O\n0.502631 0.847073 0.556324 O\n0.997369 0.847073 0.056324 O\n0.497369 0.152927 0.443676 O\n0.833925 0.994829 0.877706 O\n0.333925 0.005171 0.622294 O\n0.166075 0.005171 0.122294 O\n0.666075 0.994829 0.377706 O\n0.843449 0.022827 0.138116 O\n0.343449 0.977173 0.361884 O\n0.156551 0.977173 0.861884 O\n0.656551 0.022827 0.638116 O\n0.284226 0.396368 0.915482 O\n0.784226 0.603632 0.584518 O\n0.715774 0.603632 0.084518 O\n0.215774 0.396368 0.415482 O\n0.339912 0.032999 0.128328 O\n0.839912 0.967001 0.371672 O\n0.660088 0.967001 0.871672 O\n0.160088 0.032999 0.628328 O\n0.334833 0.905101 0.884375 O\n0.442594 0.625287 0.812770 O\n0.834833 0.094899 0.615625 O\n0.165167 0.905101 0.384375 O\n0.483466 0.237583 0.712489 O\n0.983466 0.762417 0.787511 O\n0.516534 0.762417 0.287511 O\n0.016534 0.237583 0.212489 O\n0.466695 0.216627 0.974438 O\n0.966695 0.783373 0.525562 O\n0.533305 0.783373 0.025562 O\n0.033305 0.216627 0.474438 O\n0.894282 0.561551 0.177032 O\n0.394282 0.438449 0.322968 O\n0.105718 0.438449 0.822968 O\n0.605718 0.561551 0.677032 O\n0.749875 0.279230 0.221542 O\n0.249875 0.720770 0.278458 O\n0.250125 0.720770 0.778458 O\n0.750125 0.279230 0.721542 O\n0.676781 0.433876 0.411898 O\n0.176781 0.566124 0.088102 O\n0.323219 0.566124 0.588102 O\n0.823219 0.433876 0.911898 O\n0.719446 0.779814 0.253835 O\n0.219446 0.220186 0.246165 O\n0.280554 0.220186 0.746165 O\n0.780554 0.779814 0.753835 O\n0.867408 0.432283 0.418883 O\n0.367408 0.567717 0.081117 O\n0.132592 0.567717 0.581117 O\n0.632592 0.432283 0.918883 O\n0.057406 0.625287 0.312770 O\n0.557406 0.374713 0.187230 O\n0.942594 0.374713 0.687230 O\n0.665167 0.094899 0.115625 O\n",
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},
{
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