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{
"id": "jvasp-51574",
"created_at": "2022-09-04T14:37:50.034330Z",
"updated_at": "2022-09-04T14:37:50.034358Z",
"structure_string": "Rb8 Cu4 Cl12\n1.0\n4.187218 -0.000000 0.000000\n0.000000 12.472052 0.000000\n0.000000 0.000000 12.982358\nRb Cu Cl\n8 4 12\ndirect\n0.750000 0.328017 0.025834 Rb\n0.250000 0.171983 0.525834 Rb\n0.750000 0.828017 0.474166 Rb\n0.250000 0.513929 0.326926 Rb\n0.750000 0.986071 0.826926 Rb\n0.250000 0.671983 0.974166 Rb\n0.750000 0.486071 0.673074 Rb\n0.250000 0.013929 0.173074 Rb\n0.750000 0.744238 0.192118 Cu\n0.250000 0.255762 0.807882 Cu\n0.750000 0.244238 0.307882 Cu\n0.250000 0.755762 0.692118 Cu\n0.250000 0.138898 0.949883 Cl\n0.250000 0.936456 0.639353 Cl\n0.750000 0.361102 0.449883 Cl\n0.250000 0.638898 0.550117 Cl\n0.250000 0.774803 0.280350 Cl\n0.250000 0.436456 0.860647 Cl\n0.750000 0.861102 0.050117 Cl\n0.750000 0.063544 0.360647 Cl\n0.250000 0.274804 0.219650 Cl\n0.750000 0.725196 0.780350 Cl\n0.750000 0.225196 0.719650 Cl\n0.750000 0.563544 0.139353 Cl\n",
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{
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"updated_at": "2022-09-04T14:37:28.958968Z",
"structure_string": "Yb1 B2 Ir3\n1.0\n2.812069 -4.870646 -0.000000\n2.812069 4.870646 0.000000\n0.000000 -0.000000 2.937776\nYb B Ir\n1 2 3\ndirect\n0.000000 0.000000 0.500001 Yb\n0.333333 0.666667 0.500001 B\n0.666667 0.333333 0.500001 B\n-0.000000 0.500000 0.000000 Ir\n0.500000 0.500000 0.000000 Ir\n0.500000 -0.000000 0.000000 Ir\n",
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{
"id": "jvasp-34313",
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"updated_at": "2022-09-04T14:37:13.666795Z",
"structure_string": "K4 C2 O6\n1.0\n5.538718 0.000000 0.879807\n2.769360 5.044231 0.439904\n0.291908 -0.000000 6.708081\nK C O\n4 2 6\ndirect\n0.666129 0.667742 0.750000 K\n0.333872 0.332258 0.250000 K\n0.000000 0.000000 0.500000 K\n0.000000 0.000000 0.000000 K\n0.668036 0.663928 0.250000 C\n0.331964 0.336072 0.750000 C\n0.225605 0.207831 0.684398 O\n0.202921 0.594160 0.750000 O\n0.797080 0.405840 0.250000 O\n0.774396 0.792168 0.315602 O\n0.566564 0.207831 0.815602 O\n0.433437 0.792168 0.184398 O\n",
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"density": 2.466120655444033,
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"volume": 186.11873791525,
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"formula_full": "K4 C2 O6",
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{
"id": "jvasp-11192",
"created_at": "2022-09-04T14:37:17.296153Z",
"updated_at": "2022-09-04T14:37:17.296176Z",
"structure_string": "Na2 Ge4 N6\n1.0\n5.185183 0.000000 0.000000\n0.000000 5.035242 -2.817152\n-0.000000 0.002093 5.769749\nNa Ge N\n2 4 6\ndirect\n0.494092 0.661935 0.661936 Na\n0.994092 0.338064 0.338065 Na\n0.024935 0.010640 0.675368 Ge\n0.524935 0.989359 0.324633 Ge\n0.524935 0.324632 0.989359 Ge\n0.024935 0.675367 0.010641 Ge\n0.951241 0.738619 0.738620 N\n0.451241 0.261380 0.261380 N\n0.381398 0.659212 0.073382 N\n0.381398 0.073381 0.659212 N\n0.881398 0.926618 0.340788 N\n0.881398 0.340787 0.926619 N\n",
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"density": 4.63519440028765,
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{
"id": "jvasp-10472",
"created_at": "2022-09-04T14:37:06.265243Z",
"updated_at": "2022-09-04T14:37:06.265270Z",
"structure_string": "Na2 Si4 N6\n1.0\n4.912568 -0.000000 0.000000\n-0.000000 4.783947 -2.730841\n0.000000 -0.004063 5.508504\nNa Si N\n2 4 6\ndirect\n0.485371 0.663156 0.663155 Na\n0.985371 0.336846 0.336845 Na\n0.011949 0.016159 0.675210 Si\n0.511949 0.983843 0.324790 Si\n0.511949 0.324791 0.983841 Si\n0.011949 0.675211 0.016159 Si\n0.967682 0.771040 0.771039 N\n0.467682 0.228961 0.228961 N\n0.360025 0.655888 0.092549 N\n0.360025 0.092549 0.655887 N\n0.860025 0.907452 0.344113 N\n0.860025 0.344113 0.907451 N\n",
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"density": 3.1100505414187976,
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{
"id": "jvasp-8081",
"created_at": "2022-09-04T14:37:10.176432Z",
"updated_at": "2022-09-04T14:37:10.176455Z",
"structure_string": "Er1 B2 Ir3\n1.0\n3.165132 -0.028718 0.016558\n0.028592 4.718386 2.721010\n-0.028459 0.003016 5.446700\nEr B Ir\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Er\n-0.000001 0.666666 0.666669 B\n-0.000000 0.333336 0.333331 B\n0.499999 0.000000 0.500000 Ir\n0.499999 0.500000 0.000000 Ir\n0.499999 0.500001 0.500000 Ir\n",
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"formula_full": "Er1 B2 Ir3",
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"spacegroup": 191
},
{
"id": "jvasp-12727",
"created_at": "2022-09-04T14:37:07.504899Z",
"updated_at": "2022-09-04T14:37:07.504909Z",
"structure_string": "Sn4 I2 F6\n1.0\n4.342903 -0.000000 0.000000\n-2.171451 6.941937 -0.000000\n-0.000000 -0.000000 9.062977\nSn I F\n4 2 6\ndirect\n0.638396 0.276852 0.714161 Sn\n0.638455 0.276852 0.285839 Sn\n0.361545 0.723149 0.785839 Sn\n0.361604 0.723149 0.214161 Sn\n0.013736 0.027471 0.000000 I\n0.986264 0.972529 0.500000 I\n0.708267 0.416534 0.500000 F\n0.291732 0.583466 0.000000 F\n0.208039 0.415938 0.705391 F\n0.792101 0.584063 0.794609 F\n0.207899 0.415938 0.294609 F\n0.791961 0.584063 0.205391 F\n",
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{
"id": "jvasp-42387",
"created_at": "2022-09-04T14:37:13.456804Z",
"updated_at": "2022-09-04T14:37:13.456837Z",
"structure_string": "Mn4 O2 F6\n1.0\n-0.107278 4.766717 3.162956\n-0.107278 4.766717 -3.162956\n-4.766717 0.107278 -3.162956\nMn O F\n4 2 6\ndirect\n0.750001 0.750000 0.500001 Mn\n0.250000 0.250000 0.500001 Mn\n-0.000000 0.961742 0.038259 Mn\n0.500001 0.538259 0.961742 Mn\n0.500001 0.830539 0.669463 O\n-0.000000 0.669462 0.330539 O\n0.548574 0.250000 0.798574 F\n0.048573 0.750001 0.798574 F\n-0.000000 0.275104 0.724897 F\n0.500001 0.224896 0.275104 F\n0.451427 0.750000 0.201427 F\n0.951428 0.250000 0.201427 F\n",
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{
"id": "jvasp-9698",
"created_at": "2022-09-04T14:37:08.008836Z",
"updated_at": "2022-09-04T14:37:08.008867Z",
"structure_string": "Na6 Al2 P4\n1.0\n5.597653 -0.000000 -2.293655\n-1.164982 5.985296 -2.843134\n0.026284 0.043561 8.041495\nNa Al P\n6 2 4\ndirect\n0.749990 0.500000 -0.000000 Na\n0.250010 0.500000 0.000000 Na\n0.808970 0.001089 0.617943 Na\n0.308959 0.616845 0.617919 Na\n0.691040 0.383156 0.382082 Na\n0.191028 -0.001089 0.382057 Na\n0.250002 0.000000 -0.000000 Al\n0.749998 0.000000 -0.000001 Al\n0.397791 0.096338 0.795584 P\n0.602209 0.903662 0.204416 P\n0.897791 0.699246 0.795583 P\n0.102208 0.300755 0.204417 P\n",
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{
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"created_at": "2022-09-04T14:37:07.304534Z",
"updated_at": "2022-09-04T14:37:07.304554Z",
"structure_string": "Ba8 Hg4 S12\n1.0\n4.386710 -0.000000 0.000000\n-0.000000 8.996967 0.000000\n0.000000 0.000000 17.405694\nBa Hg S\n8 4 12\ndirect\n0.250000 0.258561 0.960969 Ba\n0.250000 0.424811 0.215236 Ba\n0.750000 0.075189 0.715235 Ba\n0.250000 0.924811 0.284764 Ba\n0.250000 0.758562 0.539031 Ba\n0.750000 0.241439 0.460969 Ba\n0.750000 0.741439 0.039031 Ba\n0.750000 0.575190 0.784764 Ba\n0.750000 0.124678 0.133404 Hg\n0.250000 0.875322 0.866595 Hg\n0.750000 0.624678 0.366596 Hg\n0.250000 0.375322 0.633404 Hg\n0.250000 0.114115 0.571838 S\n0.250000 0.810093 0.721250 S\n0.750000 0.189907 0.278750 S\n0.250000 0.310093 0.778750 S\n0.750000 0.689907 0.221250 S\n0.250000 0.983246 0.095597 S\n0.750000 0.016754 0.904402 S\n0.250000 0.483246 0.404403 S\n0.750000 0.516754 0.595597 S\n0.250000 0.614115 0.928162 S\n0.750000 0.885885 0.428162 S\n0.750000 0.385885 0.071838 S\n",
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{
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"structure_string": "Fe6 O3 F9\n1.0\n-4.922175 4.922175 3.086522\n-0.125368 4.796060 -3.084682\n-4.796060 0.125368 -3.084682\nFe O F\n6 3 9\ndirect\n0.835236 0.665410 0.667763 Fe\n0.335841 0.691331 0.639282 Fe\n0.664159 0.360718 0.308669 Fe\n0.164764 0.332237 0.334589 Fe\n0.500000 0.980647 0.019353 Fe\n0.000000 0.965375 0.034625 Fe\n0.328599 0.982911 0.357240 O\n0.000000 0.680333 0.319666 O\n0.671400 0.642760 0.017089 O\n0.366540 0.431340 0.436108 F\n0.662601 0.048967 0.622942 F\n0.337399 0.377058 0.951032 F\n0.963203 0.228321 0.237691 F\n0.299646 0.904086 0.896225 F\n0.633460 0.563892 0.568659 F\n0.036797 0.762309 0.771679 F\n0.700354 0.103775 0.095913 F\n0.000000 0.278529 0.721471 F\n",
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{
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"structure_string": "V2 O3 F1\n1.0\n4.642836 -0.127234 0.000000\n-0.127234 4.642836 0.000000\n0.000000 0.000000 2.919137\nV O F\n2 3 1\ndirect\n0.020323 0.979679 0.000000 V\n0.480259 0.519743 0.500000 V\n0.201429 0.798573 0.500000 O\n0.297650 0.299306 0.000000 O\n0.700695 0.702352 0.000000 O\n0.799650 0.200352 0.500000 F\n",
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]
}