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{
"id": "mp-1213477",
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"structure_string": "Cs4 Hf24 C4 Cl60\n1.0\n9.863999 0.000000 0.000000\n0.000000 14.125393 0.000000\n0.000000 0.000000 18.746757\nCs Hf C Cl\n4 24 4 60\ndirect\n0.828692 0.247676 0.750000 Cs\n0.171308 0.752324 0.250000 Cs\n0.828692 0.752324 0.750000 Cs\n0.171308 0.247676 0.250000 Cs\n0.117418 0.500000 0.750000 Hf\n0.882582 0.500000 0.250000 Hf\n0.078815 0.000000 0.111227 Hf\n0.921185 0.000000 0.888773 Hf\n0.078815 0.000000 0.388773 Hf\n0.921185 0.000000 0.611227 Hf\n0.341091 0.386571 0.664425 Hf\n0.658909 0.613429 0.335575 Hf\n0.341091 0.613429 0.835575 Hf\n0.658909 0.386571 0.335575 Hf\n0.658909 0.386571 0.164425 Hf\n0.341091 0.613429 0.664425 Hf\n0.658909 0.613429 0.164425 Hf\n0.341091 0.386571 0.835575 Hf\n0.567672 0.500000 0.750000 Hf\n0.432328 0.500000 0.250000 Hf\n0.153188 0.113135 0.529394 Hf\n0.846812 0.886865 0.470606 Hf\n0.153188 0.886865 0.970606 Hf\n0.846812 0.113135 0.470606 Hf\n0.846812 0.113135 0.029394 Hf\n0.153188 0.886865 0.529394 Hf\n0.846812 0.886865 0.029394 Hf\n0.153188 0.113135 0.970606 Hf\n0.000000 0.000000 0.500000 C\n0.000000 0.000000 0.000000 C\n0.343058 0.500000 0.750000 C\n0.656942 0.500000 0.250000 C\n0.821379 0.000000 0.750000 Cl\n0.178621 0.000000 0.250000 Cl\n0.841633 0.500000 0.750000 Cl\n0.158367 0.500000 0.250000 Cl\n0.341225 0.500000 0.561374 Cl\n0.658775 0.500000 0.438626 Cl\n0.341225 0.500000 0.938626 Cl\n0.658775 0.500000 0.061374 Cl\n0.000000 0.249719 0.500000 Cl\n0.000000 0.750281 0.500000 Cl\n0.000000 0.750281 0.000000 Cl\n0.000000 0.249719 0.000000 Cl\n0.349611 0.249586 0.750000 Cl\n0.650389 0.750414 0.250000 Cl\n0.349611 0.750414 0.750000 Cl\n0.650389 0.249586 0.250000 Cl\n0.334170 0.249314 0.564625 Cl\n0.665830 0.750686 0.435375 Cl\n0.334170 0.750686 0.935375 Cl\n0.665830 0.249314 0.435375 Cl\n0.665830 0.249314 0.064625 Cl\n0.334170 0.750686 0.564625 Cl\n0.665830 0.750686 0.064625 Cl\n0.334170 0.249314 0.935375 Cl\n0.082998 0.122085 0.657375 Cl\n0.917002 0.877915 0.342625 Cl\n0.082998 0.877915 0.842625 Cl\n0.917002 0.122085 0.342625 Cl\n0.917002 0.122085 0.157375 Cl\n0.082998 0.877915 0.657375 Cl\n0.917002 0.877915 0.157375 Cl\n0.082998 0.122085 0.842625 Cl\n0.087663 0.376993 0.655169 Cl\n0.912337 0.623007 0.344831 Cl\n0.087663 0.623007 0.844831 Cl\n0.912337 0.376993 0.344831 Cl\n0.912337 0.376993 0.155169 Cl\n0.087663 0.623007 0.655169 Cl\n0.912337 0.623007 0.155169 Cl\n0.087663 0.376993 0.844831 Cl\n0.337715 0.000000 0.564916 Cl\n0.662285 0.000000 0.435084 Cl\n0.337715 0.000000 0.935084 Cl\n0.662285 0.000000 0.064916 Cl\n0.595351 0.377564 0.652945 Cl\n0.404649 0.622436 0.347055 Cl\n0.595351 0.622436 0.847055 Cl\n0.404649 0.377564 0.347055 Cl\n0.404649 0.377564 0.152945 Cl\n0.595351 0.622436 0.652945 Cl\n0.404649 0.622436 0.152945 Cl\n0.595351 0.377564 0.847055 Cl\n0.259809 0.123880 0.092606 Cl\n0.740191 0.876120 0.907394 Cl\n0.259809 0.876120 0.407394 Cl\n0.740191 0.123880 0.907394 Cl\n0.740191 0.123880 0.592606 Cl\n0.259809 0.876120 0.092606 Cl\n0.740191 0.876120 0.592606 Cl\n0.259809 0.123880 0.407394 Cl\n",
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"formula_full": "Cs4 Hf24 C4 Cl60",
"formula_reduced": "CsHf6CCl15",
"formula_anonymous": "ABC6D15",
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"spacegroup": 51
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{
"id": "mp-1520629",
"created_at": "2022-09-04T14:43:34.142523Z",
"structure_string": "Sr2 Tb1 Bi1 O6\n1.0\n-0.000000 -4.310525 -4.310525\n4.310525 0.000000 -4.310525\n4.310525 -4.310525 -0.000000\nSr Tb Bi O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 Bi\n0.756151 0.243849 0.243849 O\n0.243849 0.756151 0.756151 O\n0.756151 0.243849 0.756151 O\n0.243849 0.756151 0.243849 O\n0.756151 0.756151 0.243849 O\n0.243849 0.243849 0.756151 O\n",
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"formula_full": "Sr2 Tb1 Bi1 O6",
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"updated_at": "2021-11-28T01:36:30.969000Z",
"spacegroup": 225
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{
"id": "mp-755650",
"created_at": "2022-09-04T14:43:34.143569Z",
"structure_string": "Gd6 Y2 O12\n1.0\n4.559628 -5.659945 0.000000\n4.559628 5.659945 0.000000\n0.000000 0.000000 5.783823\nGd Y O\n6 2 12\ndirect\n0.088424 0.313234 0.464558 Gd\n0.313234 0.088424 0.964558 Gd\n0.602083 0.397917 0.410742 Gd\n0.397917 0.602083 0.910741 Gd\n0.686766 0.911576 0.464558 Gd\n0.911576 0.686766 0.964558 Gd\n0.836535 0.163465 0.978111 Y\n0.163465 0.836535 0.478111 Y\n0.320185 0.355676 0.182495 O\n0.355676 0.320185 0.682495 O\n0.579151 0.098344 0.177050 O\n0.098344 0.579151 0.677050 O\n0.983551 0.016449 0.252144 O\n0.777542 0.222458 0.618096 O\n0.222458 0.777542 0.118096 O\n0.016449 0.983551 0.752144 O\n0.901656 0.420849 0.177050 O\n0.420849 0.901656 0.677050 O\n0.644324 0.679815 0.182495 O\n0.679815 0.644324 0.682495 O\n",
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"elements": [
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"density": 7.30512946795697,
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"formula_full": "Gd6 Y2 O12",
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{
"id": "mp-1234120",
"created_at": "2022-09-04T14:43:34.024750Z",
"structure_string": "Mg1 Fe10 O9 F11\n1.0\n4.845618 -0.256768 -0.016723\n-0.253728 4.930466 0.018026\n-0.047317 0.053136 15.553577\nMg Fe O F\n1 10 9 11\ndirect\n0.990574 0.515179 0.800806 Mg\n0.989995 0.994549 0.006541 Fe\n0.993822 0.989859 0.203892 Fe\n0.991329 0.981265 0.403112 Fe\n0.040645 0.000412 0.602188 Fe\n0.070539 0.024773 0.794254 Fe\n0.491193 0.492324 0.106496 Fe\n0.490852 0.469978 0.488440 Fe\n0.493596 0.489230 0.298902 Fe\n0.457272 0.525080 0.689783 Fe\n0.492207 0.489941 0.916249 Fe\n0.179483 0.769339 0.703738 O\n0.289886 0.271191 0.012910 O\n0.292323 0.288645 0.204107 O\n0.293180 0.279495 0.396138 O\n0.331593 0.310839 0.593748 O\n0.343142 0.345279 0.800541 O\n0.687105 0.709523 0.010152 O\n0.693006 0.690512 0.204167 O\n0.695244 0.683489 0.399534 O\n0.176939 0.793703 0.107133 F\n0.183342 0.798334 0.302342 F\n0.198468 0.784370 0.494042 F\n0.147815 0.775170 0.901150 F\n0.691501 0.726400 0.597595 F\n0.701382 0.756694 0.796569 F\n0.801481 0.184094 0.106826 F\n0.807260 0.188002 0.495218 F\n0.803317 0.171440 0.302410 F\n0.847408 0.230438 0.893733 F\n0.820211 0.270448 0.708950 F\n",
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"density": 4.1930357344359255,
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"volume": 370.5715139887202,
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"formula_full": "Mg1 Fe10 O9 F11",
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{
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"created_at": "2022-09-04T14:43:34.026171Z",
"structure_string": "Sb2 Se12 I2 F12\n1.0\n7.258565 0.000000 0.000000\n0.000000 9.496302 0.000000\n0.000000 5.963392 10.435303\nSb Se I F\n2 12 2 12\ndirect\n0.000000 0.000000 0.000000 Sb\n0.000000 0.000000 0.500000 Sb\n0.742954 0.338604 0.611587 Se\n0.257046 0.661396 0.388413 Se\n0.245401 0.556934 0.890150 Se\n0.754599 0.443066 0.109850 Se\n0.432296 0.241684 0.616198 Se\n0.742954 0.661396 0.888413 Se\n0.567704 0.758316 0.383802 Se\n0.754599 0.556934 0.390150 Se\n0.245401 0.443066 0.609850 Se\n0.257046 0.338604 0.111587 Se\n0.567704 0.241684 0.116198 Se\n0.432296 0.758316 0.883802 Se\n0.723279 0.500000 0.750000 I\n0.276721 0.500000 0.250000 I\n0.102738 0.210976 0.886363 F\n0.779366 0.943663 0.602122 F\n0.220634 0.943663 0.102122 F\n0.895163 0.083023 0.102711 F\n0.897262 0.789024 0.113637 F\n0.220634 0.056337 0.397878 F\n0.897262 0.210976 0.386363 F\n0.104837 0.916977 0.897289 F\n0.104837 0.083023 0.602711 F\n0.102738 0.789024 0.613637 F\n0.895163 0.916977 0.397289 F\n0.779366 0.056337 0.897878 F\n",
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"formula_full": "Sb2 Se12 I2 F12",
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{
"id": "mp-863758",
"created_at": "2022-09-04T14:43:34.124142Z",
"structure_string": "K4 Sr2 Cd2 Sb4\n1.0\n4.997119 0.000000 0.000000\n0.000000 8.326006 0.000000\n0.000000 0.000000 9.973139\nK Sr Cd Sb\n4 2 2 4\ndirect\n0.500000 0.024867 0.422269 K\n0.000000 0.340920 0.337570 K\n0.500000 0.524867 0.577731 K\n0.000000 0.840920 0.662430 K\n0.000000 0.496069 0.954097 Sr\n0.000000 0.996069 0.045903 Sr\n0.500000 0.151804 0.824433 Cd\n0.500000 0.651804 0.175567 Cd\n0.000000 0.249437 0.684902 Sb\n0.500000 0.282423 0.109571 Sb\n0.000000 0.749437 0.315098 Sb\n0.500000 0.782423 0.890429 Sb\n",
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"formula_full": "K4 Sr2 Cd2 Sb4",
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{
"id": "mp-12105",
"created_at": "2022-09-04T14:43:34.315770Z",
"structure_string": "Rb1 O2\n1.0\n-2.097171 2.097171 3.526424\n2.097171 -2.097171 3.526424\n2.097171 2.097171 -3.526424\nRb O\n1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.404048 0.404048 0.000000 O\n0.595952 0.595952 0.000000 O\n",
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{
"id": "mp-3154",
"created_at": "2022-09-04T14:43:34.658199Z",
"structure_string": "Sm6 Sb10 O24\n1.0\n-5.527063 5.527063 5.527063\n5.527063 -5.527063 5.527063\n5.527063 5.527063 -5.527063\nSm Sb O\n6 10 24\ndirect\n0.750000 0.500000 0.250000 Sm\n0.250000 0.750000 0.500000 Sm\n0.750000 0.250000 0.500000 Sm\n0.500000 0.250000 0.750000 Sm\n0.500000 0.750000 0.250000 Sm\n0.250000 0.500000 0.750000 Sm\n0.508983 0.508983 0.508983 Sb\n0.000000 0.491017 0.000000 Sb\n0.491017 0.000000 0.000000 Sb\n0.000000 0.000000 0.491017 Sb\n0.000000 0.717999 0.717999 Sb\n0.000000 0.282001 0.282001 Sb\n0.282001 0.000000 0.282001 Sb\n0.717999 0.000000 0.717999 Sb\n0.282001 0.282001 0.000000 Sb\n0.717999 0.717999 0.000000 Sb\n0.525332 0.000000 0.801030 O\n0.198970 0.198970 0.724302 O\n0.000000 0.801030 0.525332 O\n0.275698 0.474668 0.474668 O\n0.801030 0.525332 0.000000 O\n0.474668 0.275698 0.474668 O\n0.198970 0.724302 0.198970 O\n0.525332 0.801030 0.000000 O\n0.474668 0.474668 0.275698 O\n0.000000 0.525332 0.801030 O\n0.724302 0.198970 0.198970 O\n0.801030 0.000000 0.525332 O\n0.493152 0.000000 0.293427 O\n0.706573 0.706573 0.199726 O\n0.000000 0.293427 0.493152 O\n0.800274 0.506848 0.506848 O\n0.293427 0.000000 0.493152 O\n0.199726 0.706573 0.706573 O\n0.000000 0.493152 0.293427 O\n0.506848 0.506848 0.800274 O\n0.493152 0.293427 0.000000 O\n0.706573 0.199726 0.706573 O\n0.506848 0.800274 0.506848 O\n0.293427 0.493152 0.000000 O\n",
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{
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