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{
"id": "mp-772633",
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"structure_string": "Sr6 Sc12 O24\n1.0\n2.891077 4.879124 0.000000\n-2.891077 4.879124 0.000000\n0.000000 0.092024 20.511742\nSr Sc O\n6 12 24\ndirect\n0.445169 0.224740 0.646042 Sr\n0.224740 0.445169 0.146042 Sr\n0.109533 0.890467 0.750000 Sr\n0.890467 0.109533 0.250000 Sr\n0.554831 0.775260 0.353958 Sr\n0.775260 0.554831 0.853958 Sr\n0.443142 0.219477 0.805709 Sc\n0.219477 0.443142 0.305709 Sc\n0.456985 0.215884 0.947774 Sc\n0.215884 0.456985 0.447774 Sc\n0.115166 0.878876 0.928883 Sc\n0.878876 0.115166 0.428883 Sc\n0.121124 0.884834 0.571117 Sc\n0.884834 0.121124 0.071117 Sc\n0.784116 0.543015 0.552226 Sc\n0.543015 0.784116 0.052226 Sc\n0.780523 0.556858 0.694291 Sc\n0.556858 0.780523 0.194291 Sc\n0.204642 0.098756 0.003130 O\n0.098756 0.204642 0.503130 O\n0.355099 0.982491 0.874413 O\n0.982491 0.355099 0.374413 O\n0.329344 0.104311 0.251903 O\n0.104311 0.329344 0.751903 O\n0.220546 0.528713 0.880577 O\n0.528713 0.220546 0.380577 O\n0.775362 0.119749 0.875267 O\n0.119749 0.775362 0.375267 O\n0.536793 0.463207 0.750000 O\n0.500000 0.500000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.463207 0.536793 0.250000 O\n0.880251 0.224638 0.624733 O\n0.224638 0.880251 0.124733 O\n0.471287 0.779454 0.619423 O\n0.779454 0.471287 0.119423 O\n0.670656 0.895689 0.748097 O\n0.895689 0.670656 0.248097 O\n0.017509 0.644901 0.625587 O\n0.644901 0.017509 0.125587 O\n0.795358 0.901244 0.996870 O\n0.901244 0.795358 0.496870 O\n",
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{
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"structure_string": "Ni4 Te4 P8 O36\n1.0\n6.391092 -0.000013 0.000034\n-0.000226 7.845616 0.001194\n-0.000017 0.001495 14.048672\nNi Te P O\n4 4 8 36\ndirect\n0.499645 0.000312 0.000042 Ni\n0.500232 0.499925 0.499997 Ni\n0.000390 0.500333 0.500090 Ni\n0.000417 0.999872 0.000169 Ni\n0.750023 0.347913 0.874218 Te\n0.249962 0.652043 0.125763 Te\n0.249986 0.848073 0.625885 Te\n0.749987 0.151931 0.374121 Te\n0.250012 0.345121 0.941517 P\n0.749959 0.654940 0.058431 P\n0.749990 0.845007 0.558514 P\n0.249967 0.154978 0.441484 P\n0.750053 0.388028 0.683786 P\n0.249960 0.611942 0.316197 P\n0.250010 0.888595 0.816310 P\n0.749967 0.111377 0.183699 P\n0.047893 0.597405 0.369704 O\n0.547915 0.402516 0.630277 O\n0.952127 0.097153 0.130219 O\n0.452247 0.902843 0.869790 O\n0.952067 0.402571 0.630250 O\n0.452045 0.597447 0.369742 O\n0.047856 0.902871 0.869803 O\n0.547714 0.097170 0.130237 O\n0.249986 0.332985 0.482079 O\n0.750000 0.667008 0.517892 O\n0.749975 0.833008 0.017790 O\n0.249957 0.167078 0.982210 O\n0.750008 0.158636 0.951240 O\n0.249950 0.841348 0.048744 O\n0.249991 0.659013 0.548864 O\n0.749985 0.340974 0.451128 O\n0.750054 0.221111 0.753230 O\n0.249883 0.778875 0.246718 O\n0.249965 0.721510 0.746942 O\n0.750025 0.278444 0.253047 O\n0.439478 0.125369 0.373351 O\n0.939486 0.874563 0.626671 O\n0.560453 0.625633 0.126594 O\n0.060508 0.374358 0.873388 O\n0.560485 0.874567 0.626655 O\n0.060480 0.125358 0.373326 O\n0.439509 0.374290 0.873379 O\n0.939479 0.625565 0.126580 O\n0.749935 0.976511 0.276997 O\n0.250050 0.023454 0.722991 O\n0.249955 0.476990 0.222950 O\n0.750000 0.522979 0.777009 O\n0.750053 0.984654 0.480729 O\n0.249941 0.015348 0.519295 O\n0.250036 0.484824 0.019195 O\n0.749953 0.515181 0.980763 O\n",
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{
"id": "mp-1218523",
"created_at": "2022-09-04T14:48:13.492263Z",
"structure_string": "Sr8 Ca2 Fe10 O30\n1.0\n-7.808916 -0.001025 -0.000931\n-3.905028 -7.800673 3.903048\n0.001457 3.895139 7.797157\nSr Ca Fe O\n8 2 10 30\ndirect\n0.400216 0.199735 0.399342 Sr\n0.900051 0.199742 0.399361 Sr\n0.300474 0.399137 0.800429 Sr\n0.800341 0.399222 0.800420 Sr\n0.199856 0.600343 0.199669 Sr\n0.699769 0.600420 0.199636 Sr\n0.099822 0.800446 0.600668 Sr\n0.599740 0.800468 0.600718 Sr\n0.499920 0.000237 0.999831 Ca\n0.999859 0.000238 0.999851 Ca\n0.999963 0.499979 0.500018 Fe\n0.499969 0.500061 0.500088 Fe\n0.899224 0.701659 0.900578 Fe\n0.399055 0.701594 0.900749 Fe\n0.799765 0.900509 0.298334 Fe\n0.299764 0.900645 0.298414 Fe\n0.200320 0.099362 0.701545 Fe\n0.700230 0.099376 0.701642 Fe\n0.100737 0.298435 0.099406 Fe\n0.600854 0.298418 0.099367 Fe\n0.249922 0.500054 0.500017 O\n0.750005 0.500069 0.500075 O\n0.249991 0.000041 0.499962 O\n0.750028 0.999941 0.499986 O\n0.000015 0.499990 0.999991 O\n0.500004 0.499978 0.999994 O\n0.147699 0.704652 0.901819 O\n0.647660 0.704666 0.901758 O\n0.049155 0.901732 0.295242 O\n0.549166 0.901722 0.295225 O\n0.450871 0.098221 0.704669 O\n0.950887 0.098207 0.704650 O\n0.352352 0.295323 0.098298 O\n0.852314 0.295334 0.098234 O\n0.050834 0.398286 0.299288 O\n0.550864 0.398364 0.299303 O\n0.949165 0.601725 0.700762 O\n0.449091 0.601715 0.700756 O\n0.899696 0.700611 0.398277 O\n0.399635 0.700708 0.398303 O\n0.100308 0.299378 0.601720 O\n0.600344 0.299345 0.601696 O\n0.848215 0.803581 0.097776 O\n0.348188 0.803619 0.097834 O\n0.151818 0.196373 0.902153 O\n0.651823 0.196356 0.902170 O\n0.799008 0.902083 0.803683 O\n0.298946 0.902086 0.803644 O\n0.201016 0.097898 0.196305 O\n0.701052 0.097918 0.196342 O\n",
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"elements": [
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"formula_full": "Sr8 Ca2 Fe10 O30",
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{
"id": "mp-1652433",
"created_at": "2022-09-04T14:45:40.060793Z",
"structure_string": "Sr8 Ca2 Fe10 O30\n1.0\n3.894275 0.000000 -0.000001\n-0.000001 3.898893 7.812732\n-0.000001 -15.629208 7.829515\nSr Ca Fe O\n8 2 10 30\ndirect\n0.999998 0.398657 0.099023 Sr\n0.000000 0.398740 0.599001 Sr\n0.000000 0.800431 0.200047 Sr\n0.000002 0.800447 0.699827 Sr\n0.999999 0.199508 0.300187 Sr\n0.000001 0.199558 0.800001 Sr\n0.000000 0.601298 0.401050 Sr\n0.000001 0.601226 0.900880 Sr\n0.999999 0.000248 0.999998 Ca\n0.000001 0.999856 0.499926 Ca\n0.500000 0.500113 0.749966 Fe\n0.500000 0.900181 0.351053 Fe\n0.499999 0.298490 0.450064 Fe\n0.500000 0.701579 0.049923 Fe\n0.499999 0.099811 0.149010 Fe\n0.499999 0.500011 0.250023 Fe\n0.500001 0.900130 0.851026 Fe\n0.500001 0.298557 0.950056 Fe\n0.500000 0.701468 0.549954 Fe\n0.500000 0.099788 0.648962 Fe\n0.000001 0.499972 0.250037 O\n0.000001 0.499967 0.749935 O\n0.499999 0.499994 0.000014 O\n0.500000 0.500078 0.499996 O\n0.499999 0.999968 0.250104 O\n0.500001 0.999975 0.749927 O\n0.000000 0.904438 0.352530 O\n0.000001 0.904335 0.852464 O\n0.999999 0.291146 0.450763 O\n0.000000 0.291206 0.950736 O\n0.999999 0.708840 0.049274 O\n0.000001 0.708841 0.549228 O\n0.999999 0.095587 0.147570 O\n0.000001 0.095618 0.647478 O\n0.499999 0.296971 0.196765 O\n0.500000 0.296929 0.696688 O\n0.499999 0.703019 0.303307 O\n0.500001 0.702952 0.803245 O\n0.500000 0.397424 0.350922 O\n0.500001 0.397611 0.850858 O\n0.499999 0.602474 0.149114 O\n0.500002 0.602527 0.649114 O\n0.499999 0.096785 0.398960 O\n0.500000 0.096884 0.898899 O\n0.499999 0.903196 0.101136 O\n0.500002 0.903098 0.601003 O\n0.500001 0.808865 0.452983 O\n0.500000 0.809044 0.952913 O\n0.499999 0.190927 0.047058 O\n0.500000 0.191230 0.546999 O\n",
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{
"id": "mp-531201",
"created_at": "2022-09-04T14:42:11.678280Z",
"structure_string": "Ho20 Cd10 Se40\n1.0\n34.010338 -4.178744 0.000000\n34.010338 4.178744 0.000000\n33.496909 0.000000 7.219564\nHo Cd Se\n20 10 40\ndirect\n0.000363 0.000363 0.000363 Ho\n0.127969 0.127969 0.619501 Ho\n0.600546 0.600546 0.600546 Ho\n0.127969 0.619501 0.127969 Ho\n0.619501 0.127969 0.127969 Ho\n0.727886 0.727886 0.219695 Ho\n0.200556 0.200556 0.200556 Ho\n0.727886 0.219695 0.727886 Ho\n0.219695 0.727886 0.727886 Ho\n0.327060 0.327060 0.820956 Ho\n0.327060 0.820956 0.327060 Ho\n0.820956 0.327060 0.327060 Ho\n0.924975 0.924975 0.425173 Ho\n0.924975 0.425173 0.924975 Ho\n0.125122 0.125122 0.125122 Ho\n0.525791 0.525791 0.023777 Ho\n0.425173 0.924975 0.924975 Ho\n0.525791 0.023777 0.525791 Ho\n0.725128 0.725128 0.725128 Ho\n0.023777 0.525791 0.525791 Ho\n0.649544 0.649544 0.649544 Cd\n0.249448 0.249448 0.249448 Cd\n0.324196 0.324196 0.324196 Cd\n0.849343 0.849343 0.849343 Cd\n0.924370 0.924370 0.924370 Cd\n0.449816 0.449816 0.449816 Cd\n0.524314 0.524314 0.524314 Cd\n0.800159 0.800159 0.800159 Cd\n0.400060 0.400060 0.400060 Cd\n0.050125 0.050125 0.050125 Cd\n0.992685 0.465347 0.465347 Se\n0.465347 0.992685 0.465347 Se\n0.276297 0.276297 0.276297 Se\n0.465347 0.465347 0.992685 Se\n0.786992 0.786992 0.252991 Se\n0.592935 0.065203 0.065203 Se\n0.973554 0.973554 0.973554 Se\n0.065203 0.592935 0.065203 Se\n0.786992 0.252991 0.786992 Se\n0.876261 0.876261 0.876261 Se\n0.252991 0.786992 0.786992 Se\n0.065203 0.065203 0.592935 Se\n0.193358 0.664867 0.664867 Se\n0.387003 0.387003 0.852936 Se\n0.573618 0.573618 0.573618 Se\n0.387003 0.852936 0.387003 Se\n0.476286 0.476286 0.476286 Se\n0.664867 0.193358 0.664867 Se\n0.664867 0.664867 0.193358 Se\n0.852936 0.387003 0.387003 Se\n0.985655 0.985655 0.455255 Se\n0.794512 0.264447 0.264447 Se\n0.173589 0.173589 0.173589 Se\n0.264447 0.794512 0.264447 Se\n0.985655 0.455255 0.985655 Se\n0.076501 0.076501 0.076501 Se\n0.264447 0.264447 0.794512 Se\n0.455255 0.985655 0.985655 Se\n0.585316 0.585316 0.055787 Se\n0.393990 0.864876 0.864876 Se\n0.773556 0.773556 0.773556 Se\n0.864876 0.393990 0.864876 Se\n0.585316 0.055787 0.585316 Se\n0.676445 0.676445 0.676445 Se\n0.864876 0.864876 0.393990 Se\n0.055787 0.585316 0.585316 Se\n0.186412 0.186412 0.654109 Se\n0.373543 0.373543 0.373543 Se\n0.186412 0.654109 0.186412 Se\n0.654109 0.186412 0.186412 Se\n",
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"elements": [
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],
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"density_atomic": 0.03411146405421297,
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"formula_full": "Ho20 Cd10 Se40",
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{
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"structure_string": "Ca6 Co6 As8 O32\n1.0\n5.169800 0.000000 0.000000\n0.000000 9.246050 0.000000\n0.000000 7.843364 15.388314\nCa Co As O\n6 6 8 32\ndirect\n0.537379 0.309590 0.231464 Ca\n0.037379 0.690410 0.268536 Ca\n0.462621 0.690410 0.768536 Ca\n0.962621 0.309590 0.731464 Ca\n0.500000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.476729 0.200650 0.621928 Co\n0.523271 0.799350 0.378072 Co\n0.976729 0.799350 0.878072 Co\n0.023271 0.200650 0.121928 Co\n0.000000 0.500000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.008874 0.038246 0.342268 As\n0.490258 0.435911 0.404224 As\n0.990258 0.564089 0.095776 As\n0.009742 0.435911 0.904224 As\n0.991126 0.961754 0.657732 As\n0.509742 0.564089 0.595776 As\n0.491126 0.038246 0.842268 As\n0.508874 0.961754 0.157732 As\n0.446188 0.811993 0.262753 O\n0.947054 0.747583 0.006297 O\n0.384004 0.436765 0.311482 O\n0.404292 0.147354 0.148498 O\n0.615996 0.563235 0.688518 O\n0.053812 0.811993 0.762753 O\n0.884004 0.563235 0.188518 O\n0.699061 0.511366 0.896078 O\n0.655239 0.101525 0.905837 O\n0.553812 0.188007 0.737247 O\n0.095708 0.147354 0.648498 O\n0.300939 0.488634 0.103922 O\n0.298774 0.578609 0.419339 O\n0.344761 0.898475 0.094163 O\n0.657599 0.971351 0.642057 O\n0.157599 0.028649 0.857943 O\n0.798774 0.421391 0.080661 O\n0.115996 0.436765 0.811482 O\n0.155239 0.898475 0.594163 O\n0.199061 0.488634 0.603922 O\n0.842401 0.971351 0.142057 O\n0.342401 0.028649 0.357943 O\n0.052946 0.252417 0.993703 O\n0.447054 0.252417 0.493703 O\n0.701226 0.421391 0.580661 O\n0.946188 0.188007 0.237247 O\n0.595708 0.852646 0.851502 O\n0.844761 0.101525 0.405837 O\n0.552946 0.747583 0.506297 O\n0.800939 0.511366 0.396078 O\n0.201226 0.578609 0.919339 O\n0.904292 0.852646 0.351502 O\n",
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