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{
"id": "jvasp-37160",
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"structure_string": "Na1 Sc1 S2\n1.0\n-1.878350 -3.253397 -0.000000\n-3.756700 -0.000000 -0.000000\n-1.878350 -1.084466 -6.560515\nNa Sc S\n1 1 2\ndirect\n0.500001 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Sc\n0.739400 0.739398 0.781804 S\n0.260602 0.260602 0.218196 S\n",
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{
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"structure_string": "Na8 Fe2 O6\n1.0\n5.794903 0.000000 0.000000\n-2.897452 4.974395 -2.222804\n0.000000 0.019100 8.239537\nNa Fe O\n8 2 6\ndirect\n0.276968 0.220524 0.950706 Na\n0.726526 0.770726 0.031585 Na\n0.943555 0.220523 0.450706 Na\n0.100777 0.615702 0.849868 Na\n0.514925 0.615702 0.349868 Na\n0.866953 0.411949 0.129677 Na\n0.044199 0.770725 0.531585 Na\n0.544997 0.411950 0.629677 Na\n0.630171 0.961706 0.745034 Fe\n0.331535 0.961706 0.245036 Fe\n0.882302 0.872003 0.791893 O\n0.316126 0.632692 0.609712 O\n0.316567 0.632693 0.109713 O\n0.989701 0.872003 0.291892 O\n0.638935 0.298302 0.342630 O\n0.659365 0.298301 0.842631 O\n",
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{
"id": "jvasp-18426",
"created_at": "2022-09-04T14:36:40.216932Z",
"updated_at": "2022-09-04T14:36:40.216958Z",
"structure_string": "Al1 Cl3\n1.0\n1.810253 -3.135449 -0.000000\n1.810253 3.135449 0.000000\n0.000000 0.000000 7.131813\nAl Cl\n1 3\ndirect\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Cl\n0.333332 0.666666 0.677379 Cl\n0.666666 0.333332 0.322621 Cl\n",
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{
"id": "jvasp-13782",
"created_at": "2022-09-04T14:36:58.923987Z",
"updated_at": "2022-09-04T14:36:58.924002Z",
"structure_string": "Al1 Cl3\n1.0\n1.810253 -3.135449 -0.000000\n1.810253 3.135449 0.000000\n0.000000 0.000000 7.131813\nAl Cl\n1 3\ndirect\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Cl\n0.333332 0.666666 0.677379 Cl\n0.666666 0.333332 0.322621 Cl\n",
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{
"id": "jvasp-46780",
"created_at": "2022-09-04T14:38:07.157831Z",
"updated_at": "2022-09-04T14:38:07.157869Z",
"structure_string": "Li14 Sb4 S4\n1.0\n5.649114 0.040604 0.023592\n2.122624 8.537792 0.044453\n2.093309 3.363136 9.009261\nLi Sb S\n14 4 4\ndirect\n0.551516 0.438536 0.870336 Li\n0.448483 0.561464 0.129663 Li\n0.898492 0.741380 0.200887 Li\n0.442000 0.059472 0.120971 Li\n0.659889 0.110914 0.447128 Li\n0.205618 0.348188 0.480851 Li\n0.393390 0.745099 0.330281 Li\n0.925601 0.079185 0.127753 Li\n0.794381 0.651812 0.519148 Li\n0.340110 0.889086 0.552871 Li\n0.074398 0.920815 0.872246 Li\n0.557999 0.940528 0.879029 Li\n0.101507 0.258620 0.799112 Li\n0.606609 0.254901 0.669718 Li\n0.884125 0.632172 0.876561 Sb\n0.250489 0.568660 0.634254 Sb\n0.749510 0.431340 0.365745 Sb\n0.115874 0.367828 0.123438 Sb\n0.650644 0.923330 0.336554 S\n0.734453 0.151744 0.905399 S\n0.349355 0.076670 0.663446 S\n0.265546 0.848256 0.094600 S\n",
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{
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"created_at": "2022-09-04T14:37:05.236380Z",
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"structure_string": "Na4 S2 O8\n1.0\n2.469415 -4.277151 -0.000000\n2.469415 4.277151 0.000000\n0.000000 -0.000000 8.167845\nNa S O\n4 2 8\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.666668 0.333334 0.959230 Na\n0.333334 0.666668 0.040769 Na\n0.333334 0.666668 0.715837 S\n0.666668 0.333334 0.284163 S\n0.690594 0.845297 0.229774 O\n0.154705 0.309408 0.229774 O\n0.154706 0.845296 0.229774 O\n0.845296 0.154706 0.770226 O\n0.845297 0.690594 0.770226 O\n0.309408 0.154705 0.770226 O\n0.333334 0.666668 0.539553 O\n0.666668 0.333334 0.460447 O\n",
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"spacegroup": 164
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{
"id": "jvasp-70317",
"created_at": "2022-09-04T14:35:58.663679Z",
"updated_at": "2022-09-04T14:35:58.663699Z",
"structure_string": "Ti1 Be2 Cl1\n1.0\n2.826653 0.000000 0.000000\n0.000000 2.826653 -0.000000\n0.000000 -0.000000 7.703608\nTi Be Cl\n1 2 1\ndirect\n0.499999 0.499999 0.778970 Ti\n0.000000 0.000000 0.013584 Be\n0.499999 0.499999 0.132004 Be\n0.000000 0.000000 0.575442 Cl\n",
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"formula_full": "Ti1 Be2 Cl1",
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"formula_anonymous": "ABC2",
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"spacegroup": 99
},
{
"id": "jvasp-112201",
"created_at": "2022-09-04T14:38:44.282705Z",
"updated_at": "2022-09-04T14:38:44.282734Z",
"structure_string": "Sn2 H8 C4 Cl4\n1.0\n4.338854 -0.002942 -0.632987\n-2.355741 6.310846 -1.074606\n0.132284 -0.187311 9.681492\nSn H C Cl\n2 8 4 4\ndirect\n0.770770 0.782992 0.724510 Sn\n0.134542 0.242958 0.242924 Sn\n0.564461 0.318500 0.487649 H\n0.260092 0.968791 0.047585 H\n0.645174 0.057106 0.919875 H\n0.340813 0.707454 0.479800 H\n0.723417 0.692655 0.443962 H\n0.266433 0.199151 0.979536 H\n0.638861 0.826733 -0.012100 H\n0.181847 0.333300 0.523470 H\n0.382827 0.394581 0.468665 C\n0.522450 0.631371 0.498774 C\n0.123730 0.072054 0.025070 C\n0.781549 0.953845 0.942375 C\n0.864348 0.494756 0.186818 Cl\n0.644788 0.986684 0.293238 Cl\n0.260524 0.039276 0.674212 Cl\n0.040934 0.531180 0.780608 Cl\n",
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{
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"created_at": "2022-09-04T14:38:41.220568Z",
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"structure_string": "Ba1 Cl1\n1.0\n5.257621 0.000000 0.000000\n-2.628810 4.553233 -0.000000\n0.000000 0.000000 4.383661\nBa Cl\n1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333334 0.666666 0.000000 Cl\n",
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{
"id": "jvasp-23245",
"created_at": "2022-09-04T14:37:38.616507Z",
"updated_at": "2022-09-04T14:37:38.616526Z",
"structure_string": "Mn4 Al8 Si10 O36\n1.0\n9.426039 0.000000 0.000000\n0.000000 8.457996 -4.821572\n0.000000 0.007374 9.842226\nMn Al Si O\n4 8 10 36\ndirect\n0.250000 0.337489 0.674978 Mn\n0.750000 0.337489 0.674978 Mn\n0.250000 0.662510 0.325023 Mn\n0.750000 0.662510 0.325023 Mn\n0.750295 0.500000 0.500000 Al\n0.500000 0.363170 0.109131 Al\n0.500000 0.636829 0.890868 Al\n0.000000 0.254038 0.890868 Al\n0.000000 0.745962 0.109132 Al\n0.749706 -0.000000 0.500000 Al\n0.249706 0.500000 0.500000 Al\n0.250294 -0.000000 0.500000 Al\n0.000000 0.376954 0.267143 Si\n0.500000 0.732674 0.610794 Si\n0.500000 0.890189 0.267143 Si\n0.500000 0.109811 0.732857 Si\n0.250000 0.500000 0.000000 Si\n0.500000 0.267326 0.389206 Si\n0.000000 0.623046 0.732857 Si\n0.000000 0.878119 0.610793 Si\n0.750000 0.500000 0.000000 Si\n0.000000 0.121881 0.389206 Si\n0.652005 0.481035 0.128641 O\n0.856618 0.851901 0.503876 O\n0.652005 0.518964 0.871360 O\n0.152004 0.647606 0.128642 O\n0.152004 0.352395 0.871360 O\n0.347996 0.518964 0.871360 O\n0.347996 0.481035 0.128641 O\n0.500000 0.080444 0.332317 O\n0.643382 0.651975 0.503875 O\n0.500000 0.919556 0.667683 O\n0.000000 0.748127 0.667683 O\n0.000000 0.251874 0.332318 O\n0.500000 0.307194 0.249671 O\n0.500000 0.692806 0.750330 O\n0.000000 0.057523 0.750330 O\n0.000000 0.942477 0.249671 O\n0.500000 0.788605 0.081962 O\n0.500000 0.211395 0.918039 O\n0.000000 0.706643 0.918039 O\n0.000000 0.293357 0.081961 O\n0.856511 0.486087 0.344486 O\n0.856511 0.513914 0.655514 O\n0.643488 0.141601 0.655514 O\n0.643488 0.858400 0.344487 O\n0.143488 0.513914 0.655514 O\n0.143488 0.486087 0.344486 O\n0.356511 0.858400 0.344487 O\n0.356511 0.141601 0.655514 O\n0.847996 0.352395 0.871360 O\n0.847996 0.647606 0.128642 O\n0.356618 0.348025 0.496126 O\n0.356618 0.651975 0.503875 O\n0.143382 0.851901 0.503876 O\n0.143382 0.148099 0.496125 O\n0.643382 0.348025 0.496126 O\n0.856618 0.148099 0.496125 O\n",
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{
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"structure_string": "Ti1 Be2 Cl1\n1.0\n2.826691 0.000000 0.000000\n0.000000 2.826691 -0.000000\n0.000000 0.000000 7.704132\nTi Be Cl\n1 2 1\ndirect\n0.500000 0.500000 0.778966 Ti\n0.000000 0.000000 0.013590 Be\n0.500000 0.500000 0.131979 Be\n0.000000 0.000000 0.575464 Cl\n",
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},
{
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"created_at": "2022-09-04T14:36:42.267238Z",
"updated_at": "2022-09-04T14:36:42.267266Z",
"structure_string": "Zn1 H4 C4 O4\n1.0\n3.454606 -0.070306 -0.467428\n-1.372677 4.253262 0.573060\n-0.258148 0.046116 7.590546\nZn H C O\n1 4 4 4\ndirect\n0.611696 0.160263 0.268297 Zn\n0.509651 0.864682 0.689630 H\n0.105605 -0.000945 0.694459 H\n0.118470 0.321381 0.842178 H\n0.714363 0.455696 0.846970 H\n0.987041 0.665702 0.506188 C\n0.175638 0.781295 0.688940 C\n0.048379 0.539125 0.847677 C\n0.236866 0.654742 0.030429 C\n0.026075 0.871983 0.369000 O\n0.800290 0.371572 0.497171 O\n0.197714 0.448473 0.167628 O\n0.423598 0.948874 0.039443 O\n",
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"formula_full": "Zn1 H4 C4 O4",
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]
}