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{
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{
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"structure_string": "V10 O15 F5\n1.0\n4.647460 0.012440 0.000000\n-0.275098 4.639328 0.000000\n-0.000000 -0.000000 14.552857\nV O F\n10 15 5\ndirect\n0.998208 0.001792 0.300106 V\n0.470561 0.529439 0.400713 V\n0.522429 0.477571 -0.000000 V\n0.528641 0.471359 0.199493 V\n0.470561 0.529439 0.599288 V\n0.528641 0.471359 0.800508 V\n0.981680 0.018319 0.099473 V\n0.998208 0.001792 0.699894 V\n0.019526 0.980474 0.500000 V\n0.981680 0.018319 0.900527 V\n0.695785 0.708483 0.500000 O\n0.195646 0.804355 0.400706 O\n0.195646 0.804355 0.599294 O\n0.706155 0.697370 0.899626 O\n0.706155 0.697370 0.100374 O\n0.698439 0.699951 0.300114 O\n0.698439 0.699951 0.699886 O\n0.291518 0.304215 0.500000 O\n0.302630 0.293845 0.100374 O\n0.300049 0.301561 0.300114 O\n0.300049 0.301561 0.699886 O\n0.803400 0.196600 0.199145 O\n0.800730 0.199270 -0.000000 O\n0.803400 0.196600 0.800855 O\n0.302630 0.293845 0.899626 O\n0.203748 0.796252 0.799881 F\n0.793640 0.206360 0.599643 F\n0.793640 0.206360 0.400357 F\n0.203748 0.796252 0.200119 F\n0.204411 0.795589 -0.000000 F\n",
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{
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"created_at": "2022-09-04T14:38:26.525036Z",
"updated_at": "2022-09-04T14:38:26.525073Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n4.728980 0.018558 -1.551593\n-0.406553 5.547622 -1.137425\n-0.094578 0.077562 7.480357\nLi Mn Co O\n7 2 3 12\ndirect\n0.506996 0.268264 0.005947 Li\n0.512666 0.424888 0.675888 Li\n0.502529 0.731421 0.001562 Li\n0.506219 0.913606 0.667372 Li\n0.488191 0.080972 0.329089 Li\n0.485619 0.580501 0.320560 Li\n-0.001914 0.501597 0.003059 Li\n0.001985 -0.002943 0.003595 Mn\n0.002703 0.173712 0.669343 Mn\n0.001426 0.667779 0.668980 Co\n0.997005 0.829657 0.329868 Co\n0.997421 0.334035 0.331032 Co\n0.227092 0.277870 0.165697 O\n0.778665 0.042522 0.171143 O\n0.773594 0.195155 0.829857 O\n0.769003 0.544094 0.183560 O\n0.771192 0.722287 0.834915 O\n0.782232 0.879051 0.506794 O\n0.780126 0.378169 0.509456 O\n0.232798 0.451333 0.815245 O\n0.210943 0.622857 0.489866 O\n0.223921 0.959707 0.828744 O\n0.220041 0.120746 0.493766 O\n0.229547 0.802713 0.164679 O\n",
"nsites": 24,
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{
"id": "jvasp-22636",
"created_at": "2022-09-04T14:37:11.850956Z",
"updated_at": "2022-09-04T14:37:11.850964Z",
"structure_string": "Rb2 Sb4\n1.0\n4.220502 -0.000000 -0.000000\n-2.110250 6.741338 -1.744395\n-0.000000 0.016095 8.589706\nRb Sb\n2 4\ndirect\n0.835544 0.671089 0.301438 Rb\n0.164456 0.328912 0.698562 Rb\n0.565998 0.131997 0.318119 Sb\n0.902289 0.804578 0.891572 Sb\n0.097711 0.195423 0.108428 Sb\n0.434002 0.868004 0.681881 Sb\n",
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{
"id": "jvasp-71986",
"created_at": "2022-09-04T14:36:07.133069Z",
"updated_at": "2022-09-04T14:36:07.133105Z",
"structure_string": "Be1 Fe1 Br2\n1.0\n-1.784701 1.784701 6.552865\n1.784701 -1.784701 6.552865\n1.784701 1.784701 -6.552865\nBe Fe Br\n1 1 2\ndirect\n0.750000 0.250000 0.500000 Be\n0.500000 0.500000 0.000000 Fe\n0.000000 0.000000 0.000000 Br\n0.250000 0.750000 0.500000 Br\n",
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{
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"created_at": "2022-09-04T14:36:08.683890Z",
"updated_at": "2022-09-04T14:36:08.683920Z",
"structure_string": "Ba1 Zn1 Cd1\n1.0\n0.000000 3.883109 3.883109\n3.883109 0.000000 3.883109\n3.883109 3.883109 0.000000\nBa Zn Cd\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 3,
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"density": 4.46882692072475,
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"volume": 117.10319385941214,
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{
"id": "jvasp-97440",
"created_at": "2022-09-04T14:35:52.992518Z",
"updated_at": "2022-09-04T14:35:52.992535Z",
"structure_string": "Nd14 S12 Cl18\n1.0\n6.690905 0.000000 0.000000\n0.000000 6.925199 -0.921156\n0.000000 -0.072538 24.406993\nNd S Cl\n14 12 18\ndirect\n0.287028 0.250000 -0.000000 Nd\n0.696062 0.378682 0.143395 Nd\n0.718626 0.507885 0.422895 Nd\n0.303938 0.878682 0.143395 Nd\n0.281375 0.007885 0.422895 Nd\n0.304129 0.137552 0.715234 Nd\n0.695872 0.637552 0.715234 Nd\n0.695872 0.862448 0.284766 Nd\n0.304129 0.362448 0.284766 Nd\n0.303938 0.621318 0.856605 Nd\n0.712973 0.750000 -0.000000 Nd\n0.281375 0.492114 0.577105 Nd\n0.696062 0.121318 0.856605 Nd\n0.718626 0.992114 0.577105 Nd\n0.444225 0.687784 0.360837 S\n0.556465 0.118775 0.217415 S\n0.555776 0.312216 0.639163 S\n0.443535 0.881225 0.782585 S\n0.444225 0.812216 0.639163 S\n0.461709 0.924650 0.928443 S\n0.461709 0.575349 0.071556 S\n0.538292 0.424650 0.928443 S\n0.443535 0.618775 0.217415 S\n0.538292 0.075349 0.071557 S\n0.556465 0.381225 0.782585 S\n0.555776 0.187784 0.360837 S\n0.066754 0.231484 0.189359 Cl\n0.043162 0.941932 0.059923 Cl\n0.082393 0.033090 0.320302 Cl\n0.885419 0.886106 0.443839 Cl\n0.556257 0.250000 0.500000 Cl\n0.082393 0.466910 0.679698 Cl\n0.114582 0.113894 0.556161 Cl\n0.956839 0.441932 0.059923 Cl\n0.043162 0.558068 0.940077 Cl\n0.443744 0.750000 0.500000 Cl\n0.917607 0.533090 0.320302 Cl\n0.917607 0.966910 0.679698 Cl\n0.114582 0.386106 0.443839 Cl\n0.933247 0.731484 0.189359 Cl\n0.066754 0.268516 0.810641 Cl\n0.956839 0.058068 0.940077 Cl\n0.885419 0.613894 0.556161 Cl\n0.933247 0.768516 0.810641 Cl\n",
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{
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"created_at": "2022-09-04T14:38:15.300250Z",
"updated_at": "2022-09-04T14:38:15.300273Z",
"structure_string": "Sr3 P2 O8\n1.0\n5.030524 -0.001779 5.321623\n2.115981 4.563858 5.321623\n-0.002788 -0.001779 7.322967\nSr P O\n3 2 8\ndirect\n0.206103 0.206104 0.206104 Sr\n0.793895 0.793897 0.793897 Sr\n0.000000 0.000000 0.000000 Sr\n0.406700 0.406700 0.406701 P\n0.593299 0.593300 0.593300 P\n0.277062 0.277063 0.745880 O\n0.277062 0.745880 0.277063 O\n0.745879 0.277063 0.277063 O\n0.254120 0.722937 0.722937 O\n0.722936 0.722937 0.254120 O\n0.670867 0.670868 0.670868 O\n0.329132 0.329132 0.329132 O\n0.722936 0.254120 0.722938 O\n",
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{
"id": "jvasp-25017",
"created_at": "2022-09-04T14:37:50.704221Z",
"updated_at": "2022-09-04T14:37:50.704236Z",
"structure_string": "K2 Na2 Pr2 Nb2 O10\n1.0\n5.796073 -0.000000 0.000000\n0.000000 5.796073 -0.000000\n-0.000000 -0.000000 8.315161\nK Na Pr Nb O\n2 2 2 2 10\ndirect\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 K\n0.000000 0.500000 0.757902 Na\n0.500000 0.000000 0.242098 Na\n0.000000 0.000000 0.500000 Pr\n0.500000 0.500000 0.500000 Pr\n0.500000 0.000000 0.745480 Nb\n0.000000 0.500000 0.254520 Nb\n0.768688 0.268688 0.326709 O\n0.500000 0.000000 0.970250 O\n0.000000 0.500000 0.029750 O\n0.768688 0.731312 0.326709 O\n0.231312 0.731312 0.326709 O\n0.231312 0.268688 0.326709 O\n0.268688 0.231312 0.673290 O\n0.731312 0.768688 0.673290 O\n0.268688 0.768688 0.673290 O\n0.731312 0.231312 0.673290 O\n",
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{
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"created_at": "2022-09-04T14:36:13.003323Z",
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"structure_string": "Ce1 Mg6 W1\n1.0\n6.560249 0.462146 0.000000\n-2.879895 4.988124 0.000000\n0.000000 0.000000 5.125637\nCe Mg W\n1 6 1\ndirect\n0.142569 0.321284 0.250000 Ce\n0.647106 0.323942 0.250000 Mg\n0.647106 0.823162 0.250000 Mg\n0.338760 0.160377 0.750000 Mg\n0.338760 0.678383 0.750000 Mg\n0.823187 0.161594 0.750000 Mg\n0.897047 0.698524 0.750000 Mg\n0.165467 0.832732 0.250000 W\n",
"nsites": 8,
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{
"id": "jvasp-64910",
"created_at": "2022-09-04T14:35:55.881153Z",
"updated_at": "2022-09-04T14:35:55.881178Z",
"structure_string": "Mg1 Be2 Mo1\n1.0\n-1.770828 1.770828 4.095611\n1.770828 -1.770828 4.095611\n1.770828 1.770828 -4.095611\nMg Be Mo\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Be\n0.250000 0.750000 0.500000 Be\n0.750000 0.250000 0.500000 Mo\n",
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{
"id": "jvasp-112918",
"created_at": "2022-09-04T14:38:43.181898Z",
"updated_at": "2022-09-04T14:38:43.181915Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n5.066876 -0.005806 2.498686\n0.597610 6.037513 1.984208\n0.005388 -0.007348 6.403467\nLi Mn Co O\n7 2 3 12\ndirect\n0.582564 0.331184 0.169105 Li\n0.731124 0.018187 0.507587 Li\n0.922650 0.650661 0.837654 Li\n0.084022 0.335077 0.164318 Li\n0.257047 0.009539 0.495888 Li\n0.416278 0.655841 0.824318 Li\n0.340377 0.333268 0.666998 Li\n0.003886 0.008264 0.992682 Mn\n0.169880 0.657781 0.340021 Mn\n0.665041 0.664283 0.335423 Co\n0.833179 0.333048 0.666849 Co\n0.497186 0.002379 0.999141 Co\n0.955838 0.315689 0.913881 O\n0.861433 0.013148 0.766753 O\n0.030268 0.681163 0.097191 O\n0.194673 0.351433 0.418650 O\n0.360814 0.993099 0.773909 O\n0.529105 0.678397 0.103225 O\n0.714179 0.350285 0.425040 O\n0.296385 0.673198 0.558779 O\n0.480857 0.315886 0.908814 O\n0.637727 0.986489 0.233278 O\n0.804034 0.653323 0.567348 O\n0.131469 0.988359 0.233162 O\n",
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}
]
}