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{
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"structure_string": "K4 Sr4 B12 H48\n1.0\n0.000000 0.000000 -8.138871\n0.000000 -8.761937 0.000000\n-11.612495 0.000000 0.000000\nK Sr B H\n4 4 12 48\ndirect\n0.530806 0.943791 0.754897 K\n0.469194 0.056209 0.254897 K\n0.969194 0.443791 0.254897 K\n0.030806 0.556209 0.754897 K\n0.957098 0.971999 0.496610 Sr\n0.042902 0.028001 0.996610 Sr\n0.542902 0.471999 0.996610 Sr\n0.457098 0.528001 0.496610 Sr\n0.420685 0.484271 0.768688 B\n0.579315 0.515729 0.268688 B\n0.079315 0.984271 0.268688 B\n0.920685 0.015729 0.768688 B\n0.170067 0.355272 0.470657 B\n0.829933 0.644728 0.970657 B\n0.329933 0.855272 0.970657 B\n0.670067 0.144728 0.470657 B\n0.807885 0.682770 0.538430 B\n0.192115 0.317230 0.038430 B\n0.692115 0.182770 0.038430 B\n0.307885 0.817230 0.538430 B\n0.324957 0.489277 0.849812 H\n0.675043 0.510723 0.349812 H\n0.175043 0.989277 0.349812 H\n0.824957 0.010723 0.849812 H\n0.510706 0.595644 0.770426 H\n0.489294 0.404356 0.270426 H\n0.989294 0.095644 0.270426 H\n0.010706 0.904356 0.770426 H\n0.502853 0.366110 0.773481 H\n0.497147 0.633890 0.273481 H\n0.997147 0.866110 0.273481 H\n0.002853 0.133890 0.773481 H\n0.333525 0.482455 0.683587 H\n0.666475 0.517545 0.183587 H\n0.166475 0.982455 0.183587 H\n0.833525 0.017545 0.683587 H\n0.043530 0.281209 0.462010 H\n0.956470 0.718791 0.962010 H\n0.456470 0.781209 0.962010 H\n0.543530 0.218791 0.462010 H\n0.254923 0.343318 0.383022 H\n0.745077 0.656682 0.883022 H\n0.245077 0.843318 0.883022 H\n0.754923 0.156682 0.383022 H\n0.133428 0.490903 0.483075 H\n0.866572 0.509097 0.983075 H\n0.366572 0.990903 0.983075 H\n0.633428 0.009097 0.483075 H\n0.250741 0.313158 0.554060 H\n0.749259 0.686842 0.054060 H\n0.249259 0.813158 0.054060 H\n0.750741 0.186842 0.554060 H\n0.693571 0.766899 0.511470 H\n0.306429 0.233101 0.011470 H\n0.806429 0.266899 0.011470 H\n0.193571 0.733101 0.511470 H\n0.875191 0.739500 0.623009 H\n0.124809 0.260500 0.123009 H\n0.624809 0.239500 0.123009 H\n0.375191 0.760500 0.623009 H\n0.760789 0.554421 0.563474 H\n0.239211 0.445579 0.063474 H\n0.739211 0.054421 0.063474 H\n0.260789 0.945579 0.563474 H\n0.907031 0.676132 0.458783 H\n0.092969 0.323868 0.958783 H\n0.592969 0.176132 0.958783 H\n0.407031 0.823868 0.458783 H\n",
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{
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"created_at": "2022-09-04T14:44:58.825924Z",
"structure_string": "Rb5 Hg19\n1.0\n-6.147603 6.147603 5.478199\n6.147603 -6.147603 5.478199\n6.147603 6.147603 -5.478199\nRb Hg\n5 19\ndirect\n0.500000 0.500000 0.000000 Rb\n0.675888 0.120340 0.796229 Rb\n0.879660 0.675888 0.555548 Rb\n0.120340 0.324112 0.444452 Rb\n0.324112 0.879660 0.203771 Rb\n0.472744 0.654507 0.408178 Hg\n0.246328 0.064566 0.591822 Hg\n0.064566 0.472744 0.818237 Hg\n0.750000 0.250000 0.500000 Hg\n0.250000 0.750000 0.500000 Hg\n0.293373 0.040662 0.906492 Hg\n0.386880 0.293373 0.252711 Hg\n0.040662 0.134170 0.747289 Hg\n0.134170 0.386880 0.093508 Hg\n0.706627 0.959338 0.093508 Hg\n0.613120 0.706627 0.747289 Hg\n0.959338 0.865830 0.252711 Hg\n0.865830 0.613120 0.906492 Hg\n0.000000 0.000000 0.000000 Hg\n0.654507 0.246328 0.181763 Hg\n0.935434 0.527256 0.181763 Hg\n0.753672 0.935434 0.408178 Hg\n0.527256 0.345493 0.591822 Hg\n0.345493 0.753672 0.818237 Hg\n",
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{
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"structure_string": "Ba4 As8 O36\n1.0\n7.858071 -0.183406 3.422984\n3.297694 8.701143 2.732475\n0.538445 -0.244113 12.206625\nBa As O\n4 8 36\ndirect\n0.195534 0.953705 0.737767 Ba\n0.804466 0.046295 0.262233 Ba\n0.650275 0.456568 0.755759 Ba\n0.349725 0.543432 0.244241 Ba\n0.477788 0.761626 0.456595 As\n0.522212 0.238374 0.543405 As\n0.952397 0.748573 0.555730 As\n0.047603 0.251427 0.444270 As\n0.960300 0.291624 0.934147 As\n0.039700 0.708376 0.065853 As\n0.482741 0.829792 0.928821 As\n0.517259 0.170208 0.071179 As\n0.781865 0.565892 0.321151 O\n0.218135 0.434108 0.678849 O\n0.372249 0.684763 0.412799 O\n0.627751 0.315237 0.587201 O\n0.484460 0.708321 0.597144 O\n0.515540 0.291679 0.402856 O\n0.550746 0.903324 0.367997 O\n0.449254 0.096676 0.632003 O\n0.122221 0.754079 0.596438 O\n0.877779 0.245921 0.403562 O\n0.805563 0.684592 0.694425 O\n0.194437 0.315408 0.305575 O\n0.039143 0.612117 0.458124 O\n0.960857 0.387883 0.541876 O\n0.861724 0.914232 0.477755 O\n0.138276 0.085768 0.522245 O\n0.009144 0.248143 0.793349 O\n0.990856 0.751857 0.206651 O\n0.005302 0.146653 0.042102 O\n0.994698 0.853347 0.957898 O\n0.734518 0.417305 0.983222 O\n0.265482 0.582695 0.016778 O\n0.102525 0.401144 0.911131 O\n0.897475 0.598856 0.088869 O\n0.707712 0.832429 0.835661 O\n0.292288 0.167571 0.164339 O\n0.427157 0.721745 0.865766 O\n0.572843 0.278255 0.134234 O\n0.449270 0.772106 0.078565 O\n0.550730 0.227894 0.921435 O\n0.357031 0.016748 0.893839 O\n0.642969 0.983252 0.106161 O\n0.848643 0.149284 0.746886 O\n0.151357 0.850716 0.253114 O\n0.233222 0.455791 0.768413 O\n0.766778 0.544209 0.231587 O\n",
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{
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{
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"structure_string": "Ho20 Pt16\n1.0\n7.456772 0.000000 0.000000\n0.000000 7.554886 0.000000\n0.000000 0.000000 14.702708\nHo Pt\n20 16\ndirect\n0.657450 0.167570 0.622488 Ho\n0.157450 0.332430 0.877512 Ho\n0.342550 0.832430 0.122488 Ho\n0.842550 0.667570 0.377512 Ho\n0.342550 0.832430 0.377512 Ho\n0.842550 0.667570 0.122488 Ho\n0.657450 0.167570 0.877512 Ho\n0.157450 0.332430 0.622488 Ho\n0.501013 0.680241 0.592561 Ho\n0.001013 0.819759 0.907439 Ho\n0.498987 0.319759 0.092561 Ho\n0.998987 0.180241 0.407439 Ho\n0.498987 0.319759 0.407439 Ho\n0.998987 0.180241 0.092561 Ho\n0.501013 0.680241 0.907439 Ho\n0.001013 0.819759 0.592561 Ho\n0.818484 0.512530 0.750000 Ho\n0.318484 0.987470 0.750000 Ho\n0.181516 0.487470 0.250000 Ho\n0.681516 0.012530 0.250000 Ho\n0.682771 0.967360 0.458306 Pt\n0.182771 0.532640 0.041694 Pt\n0.317229 0.032640 0.958306 Pt\n0.817229 0.467360 0.541694 Pt\n0.317229 0.032640 0.541694 Pt\n0.817229 0.467360 0.958306 Pt\n0.682771 0.967360 0.041694 Pt\n0.182771 0.532640 0.458306 Pt\n0.454012 0.387688 0.750000 Pt\n0.954012 0.112312 0.750000 Pt\n0.545988 0.612312 0.250000 Pt\n0.045988 0.887688 0.250000 Pt\n0.684199 0.857165 0.750000 Pt\n0.184199 0.642835 0.750000 Pt\n0.315801 0.142835 0.250000 Pt\n0.815801 0.357165 0.250000 Pt\n",
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"elements": [
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"chemical_system": "Ho-Pt",
"density": 12.870773821582668,
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"formula_full": "Ho20 Pt16",
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"updated_at": "2021-11-28T01:36:33.563000Z",
"spacegroup": 62
},
{
"id": "mp-532768",
"created_at": "2022-09-04T14:42:03.305839Z",
"structure_string": "Y2 Zr10 Si10 P2 O48\n1.0\n3.010659 -4.780905 0.000000\n3.010659 4.780905 0.000000\n0.000000 0.000000 28.772592\nY Zr Si P O\n2 10 10 2 48\ndirect\n0.000000 0.500000 0.585893 Y\n0.500000 0.000000 0.414107 Y\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.328557 Zr\n0.500000 0.500000 0.164686 Zr\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.835314 Zr\n0.000000 0.000000 0.671443 Zr\n0.000000 0.500000 0.246601 Zr\n0.500000 0.000000 0.082327 Zr\n0.000000 0.500000 0.917673 Zr\n0.500000 0.000000 0.753399 Zr\n0.000000 0.000000 0.500000 Si\n0.500000 0.000000 0.247262 Si\n0.500000 0.500000 0.328465 Si\n0.000000 0.500000 0.082439 Si\n0.000000 0.000000 0.164522 Si\n0.500000 0.000000 0.917561 Si\n0.500000 0.500000 0.000000 Si\n0.000000 0.500000 0.752738 Si\n0.000000 0.000000 0.835478 Si\n0.500000 0.500000 0.671535 Si\n0.500000 0.000000 0.585072 P\n0.000000 0.500000 0.414928 P\n0.251755 0.931611 0.615258 O\n0.569710 0.249592 0.554971 O\n0.430290 0.750408 0.554971 O\n0.750408 0.430290 0.445029 O\n0.748245 0.068389 0.615258 O\n0.068389 0.748245 0.384742 O\n0.724757 0.902685 0.470285 O\n0.931611 0.251755 0.384742 O\n0.227708 0.911163 0.277421 O\n0.097315 0.275243 0.529715 O\n0.249592 0.569710 0.445029 O\n0.902685 0.724757 0.529715 O\n0.588181 0.270573 0.216976 O\n0.227208 0.414010 0.298307 O\n0.411819 0.729427 0.216976 O\n0.728580 0.410974 0.112647 O\n0.275243 0.097315 0.470285 O\n0.599917 0.773512 0.358061 O\n0.772292 0.088837 0.277421 O\n0.400083 0.226488 0.358061 O\n0.088897 0.771491 0.052250 O\n0.728226 0.910850 0.134479 O\n0.911103 0.228509 0.052250 O\n0.228509 0.911103 0.947750 O\n0.772792 0.585990 0.298307 O\n0.088813 0.271104 0.194747 O\n0.271420 0.589026 0.112647 O\n0.911187 0.728896 0.194747 O\n0.589026 0.271420 0.887353 O\n0.228492 0.411007 0.969820 O\n0.410974 0.728580 0.887353 O\n0.729427 0.411819 0.783024 O\n0.271774 0.089150 0.134479 O\n0.588993 0.771508 0.030180 O\n0.771491 0.088897 0.947750 O\n0.411007 0.228492 0.030180 O\n0.088837 0.772292 0.722579 O\n0.728896 0.911187 0.805253 O\n0.911163 0.227708 0.722579 O\n0.771508 0.588993 0.969820 O\n0.089150 0.271774 0.865521 O\n0.270573 0.588181 0.783024 O\n0.910850 0.728226 0.865521 O\n0.226488 0.400083 0.641939 O\n0.271104 0.088813 0.805253 O\n0.585990 0.772792 0.701693 O\n0.414010 0.227208 0.701693 O\n0.773512 0.599917 0.641939 O\n",
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"formula_full": "Y2 Zr10 Si10 P2 O48",
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"energy": -655.33120387,
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"updated_at": "2021-11-28T01:35:45.417000Z",
"spacegroup": 21
}
]
}