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{
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"structure_string": "Ba6 Ni6 F33\n1.0\n3.800582 -6.582801 0.000000\n3.800582 6.582801 0.000000\n0.000000 0.000000 13.938962\nBa Ni F\n6 6 33\ndirect\n0.530006 0.181367 0.675695 Ba\n0.153708 0.477499 0.827631 Ba\n0.651361 0.469994 0.009029 Ba\n0.522501 0.676209 0.494297 Ba\n0.323791 0.846292 0.160964 Ba\n0.818633 0.348639 0.342362 Ba\n0.649286 0.975893 0.881808 Ni\n0.856344 0.775117 0.726288 Ni\n0.224883 0.081227 0.392954 Ni\n0.326607 0.350714 0.215141 Ni\n0.918773 0.143656 0.059621 Ni\n0.024107 0.673393 0.548475 Ni\n0.632108 0.050919 0.015486 F\n0.518829 0.711662 0.930278 F\n0.418810 0.367892 0.348819 F\n0.109221 0.505315 0.486018 F\n0.518620 0.269958 0.181226 F\n0.937304 0.604859 0.185391 F\n0.494685 0.603906 0.152685 F\n0.395141 0.332445 0.852058 F\n0.751337 0.481380 0.514560 F\n0.208258 0.267684 0.089663 F\n0.396094 0.890779 0.819352 F\n0.949081 0.581190 0.682153 F\n0.327869 0.043387 0.999046 F\n0.992302 0.414568 0.014190 F\n0.715518 0.672131 0.332379 F\n0.288338 0.807167 0.596945 F\n0.936828 0.091636 0.920994 F\n0.059426 0.791742 0.422996 F\n0.012076 0.126603 0.405899 F\n0.956613 0.284482 0.665713 F\n0.114526 0.987924 0.739233 F\n0.585432 0.577735 0.680856 F\n0.422265 0.007698 0.347523 F\n0.154808 0.063172 0.254327 F\n0.732316 0.940574 0.756329 F\n0.730042 0.248663 0.847893 F\n0.192833 0.481171 0.263612 F\n0.837182 0.668168 0.846452 F\n0.830987 0.162818 0.179785 F\n0.873397 0.885474 0.072566 F\n0.667555 0.062696 0.518725 F\n0.908364 0.845192 0.587661 F\n0.331832 0.169013 0.513119 F\n",
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{
"id": "mp-1217149",
"created_at": "2022-09-04T14:43:11.219574Z",
"structure_string": "Ti9 O10\n1.0\n4.466343 2.522035 0.000000\n-4.466343 2.522035 0.000000\n0.000000 2.032279 9.712058\nTi O\n9 10\ndirect\n0.836783 0.163217 0.500000 Ti\n0.559346 0.896744 0.257184 Ti\n0.351757 0.648243 0.000000 Ti\n0.103256 0.440654 0.742816 Ti\n0.440654 0.103256 0.742816 Ti\n0.163217 0.836783 0.500000 Ti\n0.896744 0.559346 0.257184 Ti\n0.648243 0.351757 0.000000 Ti\n0.000000 0.000000 0.000000 Ti\n0.460900 0.802893 0.623239 O\n0.197107 0.539100 0.376761 O\n0.942587 0.286712 0.119657 O\n0.713288 0.057413 0.880343 O\n0.802893 0.460900 0.623239 O\n0.539100 0.197107 0.376761 O\n0.286712 0.942587 0.119657 O\n0.057413 0.713288 0.880343 O\n0.392456 0.392456 0.862093 O\n0.607544 0.607544 0.137907 O\n",
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"formula_full": "Ti9 O10",
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"formula_anonymous": "A9B10",
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{
"id": "mp-11860",
"created_at": "2022-09-04T14:43:11.223247Z",
"structure_string": "Ho3 Mn3 Ga3\n1.0\n3.713038 -6.431171 0.000000\n3.713038 6.431171 0.000000\n0.000000 0.000000 3.673433\nHo Mn Ga\n3 3 3\ndirect\n0.000000 0.601544 0.500000 Ho\n0.601544 0.000000 0.500000 Ho\n0.398456 0.398456 0.500000 Ho\n0.666667 0.333333 0.000000 Mn\n0.333333 0.666667 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.726368 0.726368 0.000000 Ga\n0.273632 0.000000 0.000000 Ga\n0.000000 0.273632 0.000000 Ga\n",
"nsites": 9,
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"formula_full": "Ho3 Mn3 Ga3",
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"updated_at": "2021-11-28T01:36:03.726000Z",
"spacegroup": 189
},
{
"id": "mp-642754",
"created_at": "2022-09-04T14:43:11.223614Z",
"structure_string": "Gd4 Mo4 O14\n1.0\n0.000000 5.254932 5.254932\n5.254932 0.000000 5.254932\n5.254932 5.254932 0.000000\nGd Mo O\n4 4 14\ndirect\n0.625000 0.125000 0.125000 Gd\n0.125000 0.625000 0.125000 Gd\n0.125000 0.125000 0.625000 Gd\n0.125000 0.125000 0.125000 Gd\n0.125000 0.625000 0.625000 Mo\n0.625000 0.125000 0.625000 Mo\n0.625000 0.625000 0.125000 Mo\n0.625000 0.625000 0.625000 Mo\n0.711491 0.711491 0.288509 O\n0.288509 0.288509 0.711491 O\n0.711491 0.288509 0.711491 O\n0.288509 0.711491 0.288509 O\n0.288509 0.711491 0.711491 O\n0.711491 0.288509 0.288509 O\n0.538509 0.538509 0.961491 O\n0.961491 0.961491 0.538509 O\n0.538509 0.961491 0.538509 O\n0.961491 0.538509 0.961491 O\n0.961491 0.538509 0.538509 O\n0.538509 0.961491 0.961491 O\n0.250000 0.250000 0.250000 O\n0.000000 0.000000 0.000000 O\n",
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"elements": [
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],
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"density": 7.076202963581,
"density_atomic": 0.0758038709446819,
"volume": 290.2226459655941,
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"formula_full": "Gd4 Mo4 O14",
"formula_reduced": "Gd2Mo2O7",
"formula_anonymous": "A2B2C7",
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"updated_at": "2021-11-28T01:35:55.276000Z",
"spacegroup": 227
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{
"id": "mp-1228896",
"created_at": "2022-09-04T14:43:11.224739Z",
"structure_string": "Ba10 Bi2 Pb8 O30\n1.0\n6.171130 0.000000 0.000000\n3.044553 5.369439 0.000000\n3.046690 1.785388 25.177908\nBa Bi Pb O\n10 2 8 30\ndirect\n0.747967 0.755239 0.246860 Ba\n0.347634 0.353288 0.449152 Ba\n0.544265 0.553885 0.851843 Ba\n0.945400 0.951859 0.652950 Ba\n0.145325 0.155284 0.049437 Ba\n0.854675 0.844716 0.950563 Ba\n0.455735 0.446115 0.148157 Ba\n0.652366 0.646712 0.550848 Ba\n0.054600 0.048141 0.347050 Ba\n0.252033 0.244761 0.753140 Ba\n0.700543 0.699869 0.399513 Bi\n0.299457 0.300131 0.600487 Bi\n0.800100 0.800419 0.099464 Pb\n0.399888 0.401412 0.298492 Pb\n0.000000 0.000000 0.500000 Pb\n0.600112 0.598588 0.701508 Pb\n0.199900 0.199581 0.900536 Pb\n0.899011 0.900129 0.800896 Pb\n0.500000 0.500000 0.000000 Pb\n0.100989 0.099871 0.199104 Pb\n0.669906 0.170892 0.056897 O\n0.267549 0.772919 0.257587 O\n0.467722 0.968298 0.654532 O\n0.865261 0.372003 0.456104 O\n0.072077 0.567278 0.855963 O\n0.130782 0.629019 0.043469 O\n0.734883 0.226957 0.244804 O\n0.932530 0.432690 0.642599 O\n0.335759 0.829991 0.444043 O\n0.528040 0.031019 0.842887 O\n0.471960 0.968981 0.157113 O\n0.067470 0.567310 0.357401 O\n0.265117 0.773043 0.755196 O\n0.664241 0.170009 0.555957 O\n0.869218 0.370981 0.956531 O\n0.927923 0.432722 0.144037 O\n0.532278 0.031702 0.345468 O\n0.732451 0.227081 0.742413 O\n0.134739 0.627997 0.543896 O\n0.330094 0.829108 0.943103 O\n0.587913 0.710788 0.050257 O\n0.187199 0.306155 0.251549 O\n0.792771 0.903228 0.450057 O\n0.396094 0.506532 0.648199 O\n0.990839 0.113055 0.849169 O\n0.009161 0.886945 0.150831 O\n0.603906 0.493468 0.351801 O\n0.207229 0.096772 0.549943 O\n0.812801 0.693845 0.748451 O\n0.412087 0.289212 0.949743 O\n",
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"volume": 834.2827240202895,
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"formula_full": "Ba10 Bi2 Pb8 O30",
"formula_reduced": "Ba5BiPb4O15",
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{
"id": "mp-975373",
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"structure_string": "Rb1 Ni1 O3\n1.0\n4.051925 0.000000 0.000000\n0.000000 4.051925 0.000000\n0.000000 0.000000 4.051925\nRb Ni O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n",
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{
"id": "mp-1076863",
"created_at": "2022-09-04T14:43:11.269300Z",
"structure_string": "Ba4 Fe4 O10\n1.0\n-2.903628 2.957986 8.197355\n2.903628 -2.957986 8.197355\n2.903628 2.957986 -8.197355\nBa Fe O\n4 4 10\ndirect\n0.878126 0.387523 0.489966 Ba\n0.121874 0.611840 0.509397 Ba\n0.397558 0.887523 0.509397 Ba\n0.602442 0.111840 0.489966 Ba\n0.000000 0.996854 0.996854 Fe\n0.500000 0.496854 0.996854 Fe\n0.819178 0.775464 0.094642 Fe\n0.180822 0.275464 0.956286 Fe\n0.751574 0.752709 0.495658 O\n0.248426 0.744083 0.001134 O\n0.757051 0.252709 0.001134 O\n0.242949 0.244083 0.495658 O\n0.822528 0.846637 0.950089 O\n0.177472 0.127561 0.024109 O\n0.396549 0.346637 0.024109 O\n0.603451 0.627561 0.950089 O\n0.909355 0.093329 0.502683 O\n0.090645 0.593329 0.183974 O\n",
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"formula_full": "Ba4 Fe4 O10",
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{
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"created_at": "2022-09-04T14:43:11.286756Z",
"structure_string": "Ce1 Al2 Cu3\n1.0\n2.652666 -4.428586 0.000000\n2.652666 4.428586 0.000000\n0.000000 0.000000 4.188158\nCe Al Cu\n1 2 3\ndirect\n0.500000 0.500000 0.000000 Ce\n0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 Al\n0.164024 0.835976 0.000000 Cu\n0.835976 0.164024 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n",
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{
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"structure_string": "Rb18 I6 O6\n1.0\n4.024846 -6.971238 0.000000\n4.024846 6.971238 0.000000\n0.000000 0.000000 20.012917\nRb I O\n18 6 6\ndirect\n0.331907 0.165954 0.418701 Rb\n0.331907 0.165954 0.081299 Rb\n0.834046 0.668093 0.081299 Rb\n0.165954 0.331907 0.581299 Rb\n0.668093 0.834046 0.581299 Rb\n0.165954 0.834046 0.918701 Rb\n0.834046 0.668093 0.418701 Rb\n0.834046 0.165954 0.081299 Rb\n0.834046 0.165954 0.418701 Rb\n0.479629 0.520371 0.750000 Rb\n0.668093 0.834046 0.918701 Rb\n0.165954 0.331907 0.918701 Rb\n0.520371 0.479629 0.250000 Rb\n0.959258 0.479629 0.250000 Rb\n0.520371 0.040742 0.250000 Rb\n0.479629 0.959258 0.750000 Rb\n0.040742 0.520371 0.750000 Rb\n0.165954 0.834046 0.581299 Rb\n0.333333 0.666667 0.410761 I\n0.666667 0.333333 0.910761 I\n0.666667 0.333333 0.589239 I\n0.333333 0.666667 0.089239 I\n0.000000 0.000000 0.750000 I\n0.000000 0.000000 0.250000 I\n0.333333 0.666667 0.658786 O\n0.666667 0.333333 0.158786 O\n0.666667 0.333333 0.341214 O\n0.333333 0.666667 0.841214 O\n0.000000 0.000000 0.500000 O\n0.000000 0.000000 0.000000 O\n",
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"formula_full": "Rb18 I6 O6",
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{
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{
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{
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}