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{
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{
"id": "jvasp-100889",
"created_at": "2022-09-04T14:37:01.516735Z",
"updated_at": "2022-09-04T14:37:01.516758Z",
"structure_string": "K3 Bi1 Cl6\n1.0\n6.848467 -0.000000 3.953965\n2.282822 6.456797 3.953965\n-0.000000 -0.000000 7.907929\nK Bi Cl\n3 1 6\ndirect\n0.750000 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.499999 K\n0.000000 0.000000 0.000000 Bi\n0.758838 0.241162 0.241161 Cl\n0.241162 0.241162 0.758838 Cl\n0.241161 0.758839 0.758838 Cl\n0.241161 0.758839 0.241161 Cl\n0.758838 0.241162 0.758838 Cl\n0.758838 0.758839 0.241161 Cl\n",
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{
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"structure_string": "Mg4 Sb4 F20\n1.0\n0.000000 5.607307 0.028622\n10.070110 0.000000 0.000000\n0.000000 -4.020165 -6.900382\nMg Sb F\n4 4 20\ndirect\n0.470083 0.026358 0.189150 Mg\n0.529917 0.526358 0.310850 Mg\n0.529916 0.973642 0.810850 Mg\n0.470083 0.473642 0.689150 Mg\n0.052122 0.777933 0.327783 Sb\n0.947878 0.277933 0.172217 Sb\n0.947878 0.222067 0.672217 Sb\n0.052122 0.722067 0.827783 Sb\n0.195575 0.082459 0.651759 F\n0.161800 0.155006 0.054575 F\n0.838200 0.655006 0.445425 F\n0.691579 0.176565 0.385007 F\n0.161799 0.344994 0.554575 F\n0.308422 0.676565 0.114993 F\n0.804424 0.582459 0.848240 F\n0.838200 0.844994 0.945425 F\n0.804425 0.917541 0.348241 F\n0.644753 0.100498 0.037253 F\n0.355246 0.899502 0.962747 F\n0.644753 0.399502 0.537253 F\n0.691578 0.323435 0.885007 F\n0.355247 0.600498 0.462747 F\n0.282443 0.560588 0.811991 F\n0.717556 0.060588 0.688009 F\n0.717557 0.439412 0.188009 F\n0.282443 0.939412 0.311991 F\n0.195576 0.417541 0.151760 F\n0.308421 0.823435 0.614993 F\n",
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{
"id": "jvasp-36896",
"created_at": "2022-09-04T14:38:01.691651Z",
"updated_at": "2022-09-04T14:38:01.691671Z",
"structure_string": "Rb1 Ag1 Br3\n1.0\n5.365890 0.004202 0.000114\n-0.004284 5.366010 0.007578\n-0.000139 -0.007727 5.365965\nRb Ag Br\n1 1 3\ndirect\n-0.000003 0.011788 0.001865 Rb\n0.500011 0.512080 0.502066 Ag\n0.000001 0.512006 0.501910 Br\n0.500040 0.012076 0.502110 Br\n0.499949 0.512048 0.002045 Br\n",
"nsites": 5,
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},
{
"id": "jvasp-58367",
"created_at": "2022-09-04T14:37:13.107399Z",
"updated_at": "2022-09-04T14:37:13.107411Z",
"structure_string": "Rb4 Li4 F8\n1.0\n5.791600 -0.000000 0.546764\n2.895800 5.553491 0.273381\n0.066391 0.000000 7.835210\nRb Li F\n4 4 8\ndirect\n0.324313 0.817976 0.568482 Rb\n0.857710 0.817976 0.931517 Rb\n0.675687 0.182023 0.431518 Rb\n0.142290 0.182023 0.068482 Rb\n0.440746 0.604869 0.139206 Li\n0.559254 0.395131 0.860794 Li\n0.045616 0.395131 0.639206 Li\n0.954384 0.604869 0.360793 Li\n0.114013 0.771973 0.250000 F\n0.316869 0.366262 0.750000 F\n0.885987 0.228026 0.750000 F\n0.683131 0.633738 0.250000 F\n0.150571 0.277870 0.415114 F\n0.571560 0.277870 0.084885 F\n0.849429 0.722130 0.584885 F\n0.428440 0.722130 0.915114 F\n",
"nsites": 16,
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"elements": [
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"density": 3.4398351463400063,
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"spacegroup": 15
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{
"id": "jvasp-80032",
"created_at": "2022-09-04T14:37:17.056147Z",
"updated_at": "2022-09-04T14:37:17.056178Z",
"structure_string": "Tm1 Cd1 Ag2\n1.0\n-0.000107 3.447781 3.447781\n3.447781 -0.000107 3.447781\n3.447781 3.447781 -0.000107\nTm Cd Ag\n1 1 2\ndirect\n0.750003 0.750003 0.750003 Tm\n0.249997 0.249997 0.249997 Cd\n0.500004 0.500004 0.500004 Ag\n-0.000006 -0.000006 -0.000006 Ag\n",
"nsites": 4,
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"elements": [
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"density_atomic": 0.048796734851298665,
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{
"id": "jvasp-21969",
"created_at": "2022-09-04T14:37:33.466464Z",
"updated_at": "2022-09-04T14:37:33.466474Z",
"structure_string": "Rb2 Zr1 F6\n1.0\n3.070734 -5.318667 0.000000\n3.070734 5.318667 -0.000000\n0.000000 -0.000000 4.767223\nRb Zr F\n2 1 6\ndirect\n0.333332 0.666666 0.299646 Rb\n0.666666 0.333332 0.700353 Rb\n0.000000 0.000000 0.000000 Zr\n0.839889 0.679780 0.232323 F\n0.839890 0.160109 0.232323 F\n0.320218 0.160109 0.232323 F\n0.160109 0.320218 0.767677 F\n0.160109 0.839890 0.767677 F\n0.679780 0.839889 0.767677 F\n",
"nsites": 9,
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"density": 4.011157587978665,
"density_atomic": 0.05779656770605739,
"volume": 155.7185894804745,
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"formula_full": "Rb2 Zr1 F6",
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"formula_anonymous": "AB2C6",
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"spacegroup": 164
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{
"id": "jvasp-42006",
"created_at": "2022-09-04T14:37:40.531494Z",
"updated_at": "2022-09-04T14:37:40.531514Z",
"structure_string": "Pm2 Zn6\n1.0\n3.219207 -5.575830 -0.000000\n3.219207 5.575830 0.000000\n0.000000 -0.000000 4.418223\nPm Zn\n2 6\ndirect\n0.333333 0.666667 0.250000 Pm\n0.666667 0.333333 0.749999 Pm\n0.707579 0.853790 0.749999 Zn\n0.146211 0.292421 0.749999 Zn\n0.146211 0.853790 0.749999 Zn\n0.292421 0.146211 0.250000 Zn\n0.853790 0.707579 0.250000 Zn\n0.853790 0.146211 0.250000 Zn\n",
"nsites": 8,
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"elements": [
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"volume": 158.61200513166438,
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"formula_full": "Pm2 Zn6",
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{
"id": "jvasp-105127",
"created_at": "2022-09-04T14:36:52.366956Z",
"updated_at": "2022-09-04T14:36:52.366973Z",
"structure_string": "Ca3 Ac1\n1.0\n5.317926 -0.000000 3.070306\n1.772642 5.013789 3.070306\n-0.000000 -0.000000 6.140612\nCa Ac\n3 1\ndirect\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.750001 Ca\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Ac\n",
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{
"id": "jvasp-14038",
"created_at": "2022-09-04T14:37:50.548780Z",
"updated_at": "2022-09-04T14:37:50.548790Z",
"structure_string": "Hg8 I4 O4\n1.0\n6.595530 -0.001466 -1.259718\n-0.498380 6.580160 -2.617035\n0.031764 0.028071 9.692941\nHg I O\n8 4 4\ndirect\n0.222877 0.088600 0.852996 Hg\n0.277122 0.235605 0.147004 Hg\n0.777122 0.911399 0.147004 Hg\n0.722877 0.764394 0.852996 Hg\n0.228145 0.147594 0.495088 Hg\n0.271855 0.652506 0.504912 Hg\n0.771855 0.852405 0.504912 Hg\n0.728145 0.347493 0.495088 Hg\n0.314369 0.780819 0.222390 I\n0.185630 0.558429 0.777610 I\n0.685630 0.219181 0.777610 I\n0.814369 0.441570 0.222390 I\n0.162589 0.947926 0.606620 O\n0.337411 0.341307 0.393381 O\n0.837411 0.052073 0.393380 O\n0.662589 0.658692 0.606619 O\n",
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{
"id": "jvasp-40078",
"created_at": "2022-09-04T14:37:40.087148Z",
"updated_at": "2022-09-04T14:37:40.087175Z",
"structure_string": "Yb1 Ac1 Hg2\n1.0\n-0.000000 3.885711 3.885711\n3.885711 -0.000000 3.885711\n3.885711 3.885711 0.000000\nYb Ac Hg\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Yb\n0.250000 0.250000 0.250000 Ac\n0.000000 0.000000 0.000000 Hg\n0.499999 0.499999 0.499999 Hg\n",
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{
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"created_at": "2022-09-04T14:37:16.742109Z",
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"structure_string": "Li1 Pm1 Hg2\n1.0\n0.000000 3.599669 3.599669\n3.599669 0.000000 3.599669\n3.599669 3.599669 0.000000\nLi Pm Hg\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Pm\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Hg\n",
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{
"id": "jvasp-39645",
"created_at": "2022-09-04T14:37:41.478733Z",
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"structure_string": "Na4 Mg2 Sn2\n1.0\n2.527550 -4.377845 -0.000000\n2.527550 4.377845 0.000000\n-0.000000 -0.000000 10.013912\nNa Mg Sn\n4 2 2\ndirect\n0.666667 0.333333 0.079121 Na\n0.666667 0.333333 0.420879 Na\n0.333333 0.666667 0.579121 Na\n0.333333 0.666667 0.920879 Na\n0.000000 0.000000 0.250000 Mg\n0.000000 0.000000 0.750000 Mg\n0.333333 0.666667 0.250000 Sn\n0.666667 0.333333 0.750000 Sn\n",
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