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{
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"updated_at": "2022-09-04T14:38:27.306959Z",
"structure_string": "Li8 Cr4 O8\n1.0\n2.868380 0.000098 0.000080\n-1.434381 6.913522 -2.432734\n-0.000225 0.163033 10.149526\nLi Cr O\n8 4 8\ndirect\n0.176932 0.353886 0.469170 Li\n0.426931 0.853884 0.719178 Li\n0.676933 0.353889 0.969168 Li\n0.926931 0.853883 0.219175 Li\n0.823068 0.646116 0.530825 Li\n0.073065 0.146110 0.780831 Li\n0.323071 0.646119 0.030824 Li\n0.573064 0.146108 0.280833 Li\n0.250008 0.500005 0.250000 Cr\n-0.000010 -0.000005 0.000000 Cr\n0.750014 0.500007 0.749999 Cr\n0.499987 -0.000008 0.500001 Cr\n0.713502 0.427059 0.359396 O\n0.963517 0.927066 0.609407 O\n0.213500 0.427062 0.859395 O\n0.463520 0.927068 0.109406 O\n0.286478 0.572932 0.640592 O\n0.536497 0.072941 0.890607 O\n0.786483 0.572932 0.140593 O\n0.036495 0.072936 0.390607 O\n",
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{
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"updated_at": "2022-09-04T14:38:16.021846Z",
"structure_string": "Rb4 B4 S12\n1.0\n5.799129 -0.018156 0.000000\n-2.031175 6.729397 0.000000\n0.000000 0.000000 11.837633\nRb B S\n4 4 12\ndirect\n0.207315 0.258816 0.421094 Rb\n0.792684 0.741184 0.578906 Rb\n0.707315 0.258816 0.078906 Rb\n0.292684 0.741184 0.921094 Rb\n0.666377 0.703319 0.230466 B\n0.166377 0.703319 0.269534 B\n0.333623 0.296681 0.769534 B\n0.833623 0.296681 0.730466 B\n0.335813 0.063552 0.678669 S\n0.835813 0.063552 0.821330 S\n0.664186 0.936448 0.321330 S\n0.337148 0.805031 0.405225 S\n0.662851 0.194969 0.594774 S\n0.837148 0.805031 0.094774 S\n0.346617 0.547194 0.193549 S\n0.153383 0.452806 0.693549 S\n0.653383 0.452806 0.806451 S\n0.846617 0.547194 0.306451 S\n0.164186 0.936448 0.178669 S\n0.162851 0.194969 0.905225 S\n",
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{
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"created_at": "2022-09-04T14:38:12.022598Z",
"updated_at": "2022-09-04T14:38:12.022623Z",
"structure_string": "H8 Pb4 O8\n1.0\n7.997325 -0.000000 0.000000\n0.000000 3.774525 0.000000\n0.000000 0.000000 9.478972\nH Pb O\n8 4 8\ndirect\n0.979981 0.250000 0.148873 H\n0.479981 0.250000 0.351127 H\n0.020019 0.750001 0.851127 H\n0.520019 0.750001 0.648873 H\n0.698075 0.250000 0.143459 H\n0.198075 0.250000 0.356541 H\n0.301925 0.750001 0.856541 H\n0.801925 0.750001 0.643459 H\n0.694983 0.750001 0.930611 Pb\n0.194982 0.750001 0.569389 Pb\n0.305018 0.250000 0.069389 Pb\n0.805018 0.250000 0.430611 Pb\n0.085075 0.250000 0.205585 O\n0.585075 0.250000 0.294415 O\n0.914925 0.750001 0.794415 O\n0.414925 0.750001 0.705585 O\n0.781344 0.250000 0.064113 O\n0.281343 0.250000 0.435887 O\n0.218657 0.750001 0.935887 O\n0.718657 0.750001 0.564112 O\n",
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{
"id": "jvasp-45285",
"created_at": "2022-09-04T14:38:11.083120Z",
"updated_at": "2022-09-04T14:38:11.083147Z",
"structure_string": "Ba3 Ti3 B2 O12\n1.0\n4.427434 -7.668541 -0.000000\n4.427434 7.668541 -0.000000\n0.000000 0.000000 3.846216\nBa Ti B O\n3 3 2 12\ndirect\n0.595967 0.595967 0.500001 Ba\n-0.000000 0.404032 0.500001 Ba\n0.404032 -0.000000 0.500001 Ba\n0.235065 0.235065 0.000000 Ti\n-0.000000 0.764934 0.000000 Ti\n0.764934 -0.000000 0.000000 Ti\n0.666667 0.333333 0.000000 B\n0.333333 0.666667 0.000000 B\n0.185379 -0.000000 0.000000 O\n0.263971 0.263971 0.500001 O\n-0.000000 0.736029 0.500001 O\n0.736029 -0.000000 0.500001 O\n0.185213 0.680008 0.000000 O\n0.814786 0.494794 0.000000 O\n0.505205 0.319991 0.000000 O\n0.680008 0.185213 0.000000 O\n-0.000000 0.185379 0.000000 O\n0.494794 0.814786 0.000000 O\n0.319991 0.505205 0.000000 O\n0.814621 0.814621 0.000000 O\n",
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"formula_full": "Ba3 Ti3 B2 O12",
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{
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"created_at": "2022-09-04T14:38:10.695838Z",
"updated_at": "2022-09-04T14:38:10.695848Z",
"structure_string": "Ge4 Cl16\n1.0\n0.000000 9.506950 -0.059635\n6.367800 0.000000 0.000000\n0.000000 -2.070879 -9.354809\nGe Cl\n4 16\ndirect\n0.252400 0.076767 0.135118 Ge\n0.747600 0.576767 0.364882 Ge\n0.747600 0.923233 0.864882 Ge\n0.252400 0.423233 0.635118 Ge\n0.924004 0.082180 0.803850 Cl\n0.075996 0.582180 0.696150 Cl\n0.433804 0.073857 0.310823 Cl\n0.566195 0.573857 0.189177 Cl\n0.566195 0.926143 0.689177 Cl\n0.433804 0.426143 0.810823 Cl\n0.306838 0.918023 0.956863 Cl\n0.693162 0.081977 0.043137 Cl\n0.924004 0.417820 0.303850 Cl\n0.306838 0.581977 0.456863 Cl\n0.190438 0.106299 0.577599 Cl\n0.809562 0.606299 0.922400 Cl\n0.809562 0.893701 0.422400 Cl\n0.190438 0.393701 0.077599 Cl\n0.693162 0.418023 0.543137 Cl\n0.075996 0.917821 0.196150 Cl\n",
"nsites": 20,
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"elements": [
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},
{
"id": "jvasp-25775",
"created_at": "2022-09-04T14:38:07.193244Z",
"updated_at": "2022-09-04T14:38:07.193263Z",
"structure_string": "Cd4 Bi2 As2 O12\n1.0\n5.697847 0.000000 0.000000\n0.000000 6.939827 -2.129603\n0.000000 0.169732 7.257244\nCd Bi As O\n4 2 2 12\ndirect\n0.367514 0.593284 0.815882 Cd\n0.367514 0.184117 0.406716 Cd\n0.867514 0.406716 0.184117 Cd\n0.867514 0.815883 0.593284 Cd\n0.374841 0.096866 0.903133 Bi\n0.874842 0.903134 0.096867 Bi\n0.355613 0.665950 0.334050 As\n0.855614 0.334050 0.665950 As\n0.321396 0.519369 0.480631 O\n0.717001 0.434724 0.883134 O\n0.717001 0.116866 0.565276 O\n0.651332 0.703137 0.296864 O\n0.821396 0.480631 0.519369 O\n0.217001 0.883134 0.434724 O\n0.619600 0.153191 0.157992 O\n0.119600 0.846809 0.842008 O\n0.151332 0.296864 0.703136 O\n0.619600 0.842008 0.846809 O\n0.119600 0.157992 0.153191 O\n0.217001 0.565276 0.116866 O\n",
"nsites": 20,
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],
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"formula_full": "Cd4 Bi2 As2 O12",
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},
{
"id": "jvasp-27483",
"created_at": "2022-09-04T14:38:15.990276Z",
"updated_at": "2022-09-04T14:38:15.990305Z",
"structure_string": "Ca2 Zn2 Si4 O12\n1.0\n5.188176 -0.008054 1.054569\n1.237006 6.544896 0.614301\n-0.007874 0.027170 6.688977\nCa Zn Si O\n2 2 4 12\ndirect\n0.250001 0.699909 0.300092 Ca\n0.750001 0.300093 0.699908 Ca\n0.250001 0.094268 0.905732 Zn\n0.750001 0.905733 0.094268 Zn\n0.770681 0.379988 0.193308 Si\n0.729321 0.806693 0.620013 Si\n0.229321 0.620013 0.806692 Si\n0.270681 0.193308 0.379987 Si\n0.355520 0.026532 0.206815 O\n0.144481 0.793186 0.973468 O\n0.509226 0.329224 0.371692 O\n0.673498 0.610534 0.111169 O\n0.826504 0.888832 0.389467 O\n0.326504 0.389467 0.888831 O\n0.173498 0.111169 0.610533 O\n0.009226 0.371692 0.329224 O\n0.490776 0.670777 0.628308 O\n0.990776 0.628309 0.670777 O\n0.855521 0.206815 0.026532 O\n0.644482 0.973469 0.793185 O\n",
"nsites": 20,
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],
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"density_atomic": 0.08802767936151545,
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"formula_full": "Ca2 Zn2 Si4 O12",
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{
"id": "jvasp-88839",
"created_at": "2022-09-04T14:38:12.052681Z",
"updated_at": "2022-09-04T14:38:12.052706Z",
"structure_string": "Sr4 Cd2 W2 O12\n1.0\n5.813143 0.000000 0.000000\n0.000000 5.956277 0.000000\n0.000000 0.000000 8.268612\nSr Cd W O\n4 2 2 12\ndirect\n0.000000 0.511715 0.256893 Sr\n0.000000 0.511715 0.743107 Sr\n0.500000 0.950287 0.243107 Sr\n0.500000 0.950287 0.756893 Sr\n0.500000 0.464848 0.000000 Cd\n0.000000 -0.002849 0.500000 Cd\n0.000000 0.974363 0.000000 W\n0.500000 0.487636 0.500000 W\n0.232474 0.736877 0.000000 O\n0.767526 0.736877 0.000000 O\n0.500000 0.506072 0.732624 O\n0.261182 0.269161 0.500000 O\n0.738818 0.269161 0.500000 O\n0.267526 0.725123 0.500000 O\n0.732473 0.725123 0.500000 O\n0.000000 0.955930 0.232627 O\n0.000000 0.955930 0.767373 O\n0.500000 0.506072 0.267376 O\n0.238821 0.192838 0.000000 O\n0.761179 0.192838 0.000000 O\n",
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"formula_full": "Sr4 Cd2 W2 O12",
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"spacegroup": 59
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{
"id": "jvasp-45907",
"created_at": "2022-09-04T14:38:05.983683Z",
"updated_at": "2022-09-04T14:38:05.983714Z",
"structure_string": "Zn3 Ni7 O10\n1.0\n2.123017 -2.123017 -0.000000\n-2.123017 0.000000 -2.123017\n14.743700 14.743700 -12.620682\nZn Ni O\n3 7 10\ndirect\n0.999392 0.998784 0.998173 Zn\n0.100000 0.200000 0.300000 Zn\n0.200609 0.401217 0.601827 Zn\n0.299010 0.598020 0.897030 Ni\n0.900991 0.801981 0.702970 Ni\n0.500148 0.000294 0.500441 Ni\n0.600001 0.200000 0.800000 Ni\n0.699853 0.399707 0.099559 Ni\n0.399534 0.799070 0.198602 Ni\n0.800467 0.600932 0.401398 Ni\n0.949447 0.898893 0.848338 O\n0.349977 0.699955 0.049931 O\n0.049690 0.099378 0.149069 O\n0.749405 0.498809 0.248213 O\n0.450596 0.901192 0.351787 O\n0.150310 0.300622 0.450931 O\n0.850025 0.700047 0.550069 O\n0.551230 0.102457 0.653687 O\n0.250554 0.501108 0.751662 O\n0.648771 0.297542 0.946313 O\n",
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},
{
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"created_at": "2022-09-04T14:38:16.630511Z",
"updated_at": "2022-09-04T14:38:16.630539Z",
"structure_string": "In4 Bi4 O12\n1.0\n5.663693 0.000000 0.000000\n-0.000000 6.075817 0.000000\n0.000000 0.000000 8.176873\nIn Bi O\n4 4 12\ndirect\n0.500000 0.000000 0.500000 In\n0.500000 0.000000 0.000000 In\n0.000000 0.500000 0.000000 In\n0.000000 0.500000 0.500000 In\n0.011736 0.952550 0.250000 Bi\n0.988263 0.047450 0.750000 Bi\n0.488263 0.452550 0.250000 Bi\n0.511736 0.547451 0.750000 Bi\n0.131044 0.450720 0.750000 O\n0.327184 0.684564 0.057507 O\n0.672815 0.315436 0.557506 O\n0.172815 0.184564 0.442493 O\n0.631044 0.049280 0.250000 O\n0.868956 0.549281 0.250000 O\n0.827184 0.815437 0.942493 O\n0.172815 0.184564 0.057507 O\n0.827184 0.815437 0.557506 O\n0.368956 0.950720 0.750000 O\n0.327184 0.684564 0.442493 O\n0.672815 0.315436 0.942493 O\n",
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"elements": [
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"volume": 281.37897394060315,
"volume_molar": 8.47251893987342,
"formula_full": "In4 Bi4 O12",
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"spacegroup": 62
},
{
"id": "jvasp-52528",
"created_at": "2022-09-04T14:38:06.774219Z",
"updated_at": "2022-09-04T14:38:06.774244Z",
"structure_string": "Li4 Sb4 O12\n1.0\n5.987931 0.000000 -0.000000\n0.000000 5.987931 0.000000\n-0.000000 -0.000000 5.987931\nLi Sb O\n4 4 12\ndirect\n0.873985 0.873985 0.873985 Li\n0.626014 0.126014 0.373985 Li\n0.373985 0.626014 0.126014 Li\n0.126014 0.373985 0.626014 Li\n0.091097 0.908903 0.408903 Sb\n0.408903 0.091097 0.908903 Sb\n0.591097 0.591097 0.591097 Sb\n0.908903 0.408903 0.091097 Sb\n0.773057 0.864922 0.514558 O\n0.726943 0.135078 0.014558 O\n0.635078 0.485442 0.273057 O\n0.485442 0.273057 0.635078 O\n0.514558 0.773057 0.864922 O\n0.135078 0.014558 0.726943 O\n0.273057 0.635078 0.485442 O\n0.226943 0.364922 0.985441 O\n0.864922 0.514558 0.773057 O\n0.985441 0.226943 0.364922 O\n0.364922 0.985441 0.226943 O\n0.014558 0.726943 0.135078 O\n",
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},
{
"id": "jvasp-43686",
"created_at": "2022-09-04T14:38:11.304681Z",
"updated_at": "2022-09-04T14:38:11.304706Z",
"structure_string": "Li4 Mn4 O4 F8\n1.0\n6.487550 -0.002366 0.023277\n-0.538011 6.465204 -0.023277\n-0.600096 0.552434 5.190658\nLi Mn O F\n4 4 4 8\ndirect\n0.218466 0.609416 0.665813 Li\n0.390583 0.781533 0.165813 Li\n0.609416 0.218465 0.834188 Li\n0.781534 0.390582 0.334187 Li\n0.089407 0.089407 0.750000 Mn\n0.259539 0.259538 0.250000 Mn\n0.740461 0.740460 0.750000 Mn\n0.910593 0.910591 0.250000 Mn\n0.001393 0.193359 0.401128 O\n0.806640 -0.001395 0.901129 O\n0.193359 0.001393 0.098872 O\n-0.001394 0.806640 0.598872 O\n0.128402 0.376879 0.867180 F\n0.290781 0.536783 0.355797 F\n0.376879 0.128401 0.632821 F\n0.463216 0.709217 0.855797 F\n0.536784 0.290781 0.144203 F\n0.623120 0.871597 0.367180 F\n0.709218 0.463215 0.644204 F\n0.871598 0.623119 0.132820 F\n",
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}
]
}