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{
"id": "jvasp-85732",
"created_at": "2022-09-04T14:36:07.278396Z",
"updated_at": "2022-09-04T14:36:07.278421Z",
"structure_string": "Dy12 Co4\n1.0\n6.170119 -0.000000 0.000000\n-0.000000 6.856701 0.000000\n0.000000 0.000000 9.343132\nDy Co\n12 4\ndirect\n0.142088 0.458613 0.750000 Dy\n0.675841 0.324590 0.932833 Dy\n0.357912 0.958613 0.750000 Dy\n0.857912 0.541387 0.250000 Dy\n0.642088 0.041387 0.250000 Dy\n0.175841 0.175410 0.432833 Dy\n0.824159 0.824590 0.567166 Dy\n0.175841 0.175410 0.067167 Dy\n0.824159 0.824590 0.932833 Dy\n0.675841 0.324590 0.567166 Dy\n0.324159 0.675410 0.067167 Dy\n0.324159 0.675410 0.432833 Dy\n0.551524 0.612740 0.750000 Co\n0.948476 0.112740 0.750000 Co\n0.051524 0.887260 0.250000 Co\n0.448476 0.387260 0.250000 Co\n",
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{
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"structure_string": "Rb1 Fe1 Mo2 O8\n1.0\n5.373872 -0.000001 -0.000000\n-2.686935 4.653909 0.000000\n0.000000 -0.000000 7.574469\nRb Fe Mo O\n1 1 2 8\ndirect\n0.000000 0.000000 0.500000 Rb\n0.000000 0.000000 0.000000 Fe\n0.666667 0.333333 0.785097 Mo\n0.333334 0.666667 0.214903 Mo\n0.248398 0.312767 0.145750 O\n0.751603 0.687233 0.854250 O\n0.333334 0.666667 0.444314 O\n0.935631 0.248398 0.854250 O\n0.666667 0.333333 0.555686 O\n0.687234 0.935631 0.145750 O\n0.312767 0.064369 0.854250 O\n0.064370 0.751602 0.145750 O\n",
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"formula_full": "Rb1 Fe1 Mo2 O8",
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{
"id": "jvasp-85727",
"created_at": "2022-09-04T14:35:56.900284Z",
"updated_at": "2022-09-04T14:35:56.900292Z",
"structure_string": "Tb1 Ga6 Fe6\n1.0\n4.642578 0.000362 1.932064\n2.277519 6.043075 1.072351\n-0.000092 0.025758 6.546283\nTb Ga Fe\n1 6 6\ndirect\n0.002449 0.996950 0.000243 Tb\n0.684928 0.814468 0.817777 Ga\n0.346563 0.652979 0.656290 Ga\n0.658379 0.340889 0.344213 Ga\n0.002488 0.330972 0.666232 Ga\n0.319969 0.179414 0.182738 Ga\n0.002490 0.662927 0.334256 Ga\n0.502479 0.752872 0.244318 Fe\n0.502477 0.241009 0.756194 Fe\n0.502472 0.996945 0.500252 Fe\n0.502472 0.496939 0.000251 Fe\n0.002474 0.996943 0.500258 Fe\n0.002458 0.496945 0.000251 Fe\n",
"nsites": 13,
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"elements": [
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"density": 8.249661310502558,
"density_atomic": 0.07079080047522471,
"volume": 183.6396807597864,
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"formula_full": "Tb1 Ga6 Fe6",
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{
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"created_at": "2022-09-04T14:35:52.860052Z",
"updated_at": "2022-09-04T14:35:52.860068Z",
"structure_string": "Eu2 Zn4 Sn4\n1.0\n4.256361 0.000000 0.000000\n0.000000 4.655319 -0.418894\n0.000000 -0.903993 11.865219\nEu Zn Sn\n2 4 4\ndirect\n0.748288 0.703624 0.256720 Eu\n0.248288 0.296377 0.743280 Eu\n0.248260 0.193735 0.354411 Zn\n0.748289 0.336644 -0.007053 Zn\n0.748260 0.806266 0.645590 Zn\n0.248289 0.663357 0.007053 Zn\n0.248297 0.191510 0.137000 Sn\n0.748297 0.808491 0.863000 Sn\n0.748265 0.255580 0.508877 Sn\n0.248265 0.744421 0.491124 Sn\n",
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"density": 7.399034339206712,
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"volume": 233.4941842197389,
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"formula_full": "Eu2 Zn4 Sn4",
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{
"id": "jvasp-85723",
"created_at": "2022-09-04T14:35:49.000096Z",
"updated_at": "2022-09-04T14:35:49.000123Z",
"structure_string": "K2 Mg1 Mo2 H4 O10\n1.0\n4.959122 -0.636696 -1.747931\n-2.079829 7.314735 -0.143363\n-1.671764 1.759039 6.807201\nK Mg Mo H O\n2 1 2 4 10\ndirect\n0.540793 0.749055 0.437851 K\n0.459206 0.250944 0.562149 K\n0.000000 0.000000 0.000000 Mg\n0.354945 0.704043 0.887016 Mo\n0.645055 0.295956 0.112984 Mo\n0.168828 0.379839 0.080216 H\n0.831172 0.620160 0.919785 H\n0.888308 0.678169 0.272831 H\n0.111692 0.321830 0.727169 H\n0.829956 0.192238 0.040666 O\n0.170044 0.807760 0.959334 O\n0.184480 0.210503 0.825030 O\n0.815520 0.789495 0.174970 O\n0.530155 0.893736 0.746546 O\n0.616675 0.533354 0.872224 O\n0.469845 0.106263 0.253454 O\n0.020859 0.566204 0.677300 O\n0.383325 0.466644 0.127777 O\n-0.020858 0.433795 0.322700 O\n",
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{
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"created_at": "2022-09-04T14:35:41.420240Z",
"updated_at": "2022-09-04T14:35:41.420263Z",
"structure_string": "Mn6 O12\n1.0\n0.000020 2.871420 0.000003\n0.151111 -0.000177 8.848269\n6.948717 -1.435826 0.059830\nMn O\n6 12\ndirect\n0.342747 0.257096 0.679816 Mn\n0.342612 0.757065 0.679797 Mn\n0.661805 0.244651 0.317916 Mn\n0.661671 0.744659 0.317890 Mn\n0.002219 0.000867 0.998845 Mn\n0.002224 0.500864 0.998864 Mn\n0.226861 0.642443 0.448268 O\n0.227008 0.142445 0.448313 O\n0.896513 0.644183 0.787573 O\n0.896645 0.144239 0.787620 O\n0.107782 0.857520 0.210093 O\n0.444718 0.396513 0.883842 O\n0.444664 0.896538 0.883775 O\n0.777550 0.359305 0.549422 O\n0.559723 0.605215 0.113889 O\n0.559768 0.105188 0.113926 O\n0.107898 0.357520 0.210124 O\n0.777419 0.859284 0.549416 O\n",
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"formula_full": "Mn6 O12",
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{
"id": "jvasp-85719",
"created_at": "2022-09-04T14:36:17.902204Z",
"updated_at": "2022-09-04T14:36:17.902232Z",
"structure_string": "Ce2 Co2 Ge2 H2\n1.0\n4.010212 -0.000191 0.000089\n-0.000190 4.010172 0.000064\n0.000088 0.000104 7.321563\nCe Co Ge H\n2 2 2 2\ndirect\n0.749998 0.749995 0.324497 Ce\n0.250002 0.250003 0.675505 Ce\n0.750005 0.249992 0.999994 Co\n0.249997 0.750006 0.999997 Co\n0.750001 0.750000 0.825081 Ge\n0.250000 0.249999 0.174910 Ge\n0.249994 0.750010 0.500008 H\n0.750006 0.249989 0.500005 H\n",
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{
"id": "jvasp-85718",
"created_at": "2022-09-04T14:36:08.668145Z",
"updated_at": "2022-09-04T14:36:08.668170Z",
"structure_string": "Ba1 Ti1 O3\n1.0\n3.724638 0.000000 0.000000\n0.000000 4.319477 3.293298\n0.000000 -4.319477 3.293298\nBa Ti O\n1 1 3\ndirect\n0.000000 0.645456 0.645456 Ba\n0.500000 0.105934 0.105934 Ti\n0.500000 0.380862 0.380862 O\n0.500000 0.104707 0.783041 O\n0.500000 0.783041 0.104707 O\n",
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{
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"created_at": "2022-09-04T14:36:00.997513Z",
"updated_at": "2022-09-04T14:36:00.997523Z",
"structure_string": "Lu2 Nb2 O8\n1.0\n-2.595516 5.415653 2.733565\n2.615620 -5.415653 2.351476\n2.595516 5.415653 -2.733565\nLu Nb O\n2 2 8\ndirect\n0.878195 0.750000 0.628194 Lu\n0.121806 0.250001 0.371805 Lu\n0.359591 0.750000 0.109591 Nb\n0.640410 0.250001 0.890409 Nb\n0.492729 0.708756 0.778557 O\n0.069804 0.791247 0.283974 O\n0.507271 0.291245 0.221443 O\n0.930197 0.208754 0.716025 O\n0.790774 0.672619 0.953914 O\n0.281297 0.827384 0.618156 O\n0.209227 0.327382 0.046086 O\n0.718703 0.172617 0.381844 O\n",
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{
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"created_at": "2022-09-04T14:37:51.522295Z",
"updated_at": "2022-09-04T14:37:51.522320Z",
"structure_string": "K2 Al2 H8\n1.0\n-2.672432 2.672432 6.278286\n2.672432 -2.672432 6.278286\n2.672432 2.672432 -6.278286\nK Al H\n2 2 8\ndirect\n0.375000 0.125000 0.250000 K\n0.625000 0.875000 0.749999 K\n0.875000 0.625000 0.250000 Al\n0.125000 0.374999 0.749999 Al\n0.182177 0.599866 0.385827 H\n0.714041 0.796351 0.114172 H\n0.296351 0.682177 0.082310 H\n0.099867 0.214040 0.417689 H\n0.817823 0.400133 0.614172 H\n0.285959 0.203649 0.885827 H\n0.703649 0.317823 0.917689 H\n0.900133 0.785960 0.582310 H\n",
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{
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"created_at": "2022-09-04T14:38:08.597317Z",
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"structure_string": "Cd4 P6 Cl2\n1.0\n3.958292 4.547958 -0.768893\n-3.958292 4.547958 0.768893\n-0.011748 0.000000 7.622518\nCd P Cl\n4 6 2\ndirect\n0.897844 0.404907 0.795600 Cd\n0.404907 0.897844 0.704400 Cd\n0.102156 0.595094 0.204400 Cd\n0.595094 0.102156 0.295600 Cd\n0.335292 0.570187 0.530929 P\n0.570187 0.335292 0.969071 P\n0.664708 0.429813 0.469071 P\n0.429813 0.664708 0.030929 P\n0.303324 0.303324 0.750000 P\n0.696676 0.696676 0.250000 P\n0.866340 0.866340 0.750000 Cl\n0.133661 0.133661 0.250000 Cl\n",
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{
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"created_at": "2022-09-04T14:35:55.644104Z",
"updated_at": "2022-09-04T14:35:55.644120Z",
"structure_string": "Sr2 Co1 O3\n1.0\n2.469148 2.517180 -0.487495\n-2.469148 2.517180 0.487495\n-1.085084 0.000000 7.489728\nSr Co O\n2 1 3\ndirect\n0.657983 0.342017 0.816122 Sr\n0.342018 0.657982 0.183878 Sr\n0.000000 -0.000000 0.500000 Co\n0.500000 0.500000 0.500000 O\n0.146313 0.853687 0.792823 O\n0.853688 0.146312 0.207177 O\n",
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"spacegroup": 139
}
]
}