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{
"id": "jvasp-116159",
"created_at": "2022-09-04T14:38:41.470196Z",
"updated_at": "2022-09-04T14:38:41.470229Z",
"structure_string": "Hf2 Cl1\n1.0\n4.173855 0.000000 0.000000\n0.000000 2.966768 0.000000\n0.000000 0.000000 5.907161\nHf Cl\n2 1\ndirect\n-0.033334 0.000000 0.747587 Hf\n-0.033334 0.000000 0.252414 Hf\n0.466668 0.000000 0.000000 Cl\n",
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{
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"structure_string": "Na2 Sn1 Hg1\n1.0\n4.474566 -0.000000 2.583392\n1.491522 4.218662 2.583392\n-0.000000 -0.000000 5.166784\nNa Sn Hg\n2 1 1\ndirect\n0.750000 0.750000 0.749999 Na\n0.500000 0.500000 0.499999 Na\n0.000000 0.000000 0.000000 Sn\n0.250000 0.250000 0.250000 Hg\n",
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{
"id": "jvasp-91801",
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"structure_string": "Sm2 Sb4 Pd2\n1.0\n4.481270 0.000000 -0.000000\n-0.000000 4.481270 0.000000\n-0.000000 -0.000000 9.713833\nSm Sb Pd\n2 4 2\ndirect\n0.750000 0.750000 0.745570 Sm\n0.250000 0.250000 0.254430 Sm\n0.250000 0.750000 0.000000 Sb\n0.750000 0.250000 0.000000 Sb\n0.750000 0.750000 0.339702 Sb\n0.250000 0.250000 0.660298 Sb\n0.250000 0.750000 0.500000 Pd\n0.750000 0.250000 0.500000 Pd\n",
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"formula_full": "Sm2 Sb4 Pd2",
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"spacegroup": 129
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{
"id": "jvasp-85222",
"created_at": "2022-09-04T14:37:19.433404Z",
"updated_at": "2022-09-04T14:37:19.433435Z",
"structure_string": "W2 N1 Cl8\n1.0\n6.152622 0.015472 0.940871\n0.820953 6.231513 0.026012\n0.017065 0.003713 7.001154\nW N Cl\n2 1 8\ndirect\n0.053138 0.597346 0.231853 W\n0.946860 0.402653 0.768146 W\n-0.000000 0.500000 -0.000000 N\n0.616559 0.616233 0.776296 Cl\n0.888041 0.305052 0.411455 Cl\n0.283500 0.198780 0.687250 Cl\n0.781728 0.111972 0.874108 Cl\n0.218270 0.888027 0.125891 Cl\n0.383440 0.383766 0.223704 Cl\n0.111958 0.694947 0.588544 Cl\n0.716499 0.801219 0.312749 Cl\n",
"nsites": 11,
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"elements": [
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"volume": 268.23855286172716,
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"formula_full": "W2 N1 Cl8",
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"formula_anonymous": "AB2C8",
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{
"id": "jvasp-115612",
"created_at": "2022-09-04T14:38:44.335926Z",
"updated_at": "2022-09-04T14:38:44.335956Z",
"structure_string": "Be1 Cd1 Br1\n1.0\n3.123411 1.295147 0.000000\n1.902678 7.724748 0.000000\n0.000000 0.000000 3.376968\nBe Cd Br\n1 1 1\ndirect\n0.114439 0.084140 0.000000 Be\n0.205105 0.379295 0.000000 Cd\n-0.070210 -0.145267 0.000000 Br\n",
"nsites": 3,
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{
"id": "jvasp-91302",
"created_at": "2022-09-04T14:36:03.324477Z",
"updated_at": "2022-09-04T14:36:03.324503Z",
"structure_string": "Pr4 In2 Pd4\n1.0\n3.915877 -0.000000 0.000000\n-0.000000 7.891371 0.000000\n0.000000 -0.000000 7.891371\nPr In Pd\n4 2 4\ndirect\n0.500000 0.824437 0.324437 Pr\n0.500000 0.675563 0.824437 Pr\n0.500000 0.324437 0.175563 Pr\n0.500000 0.175563 0.675563 Pr\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.500000 In\n0.000000 0.126506 0.373494 Pd\n0.000000 0.373494 0.873494 Pd\n0.000000 0.626506 0.126506 Pd\n0.000000 0.873494 0.626506 Pd\n",
"nsites": 10,
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"formula_full": "Pr4 In2 Pd4",
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{
"id": "jvasp-102785",
"created_at": "2022-09-04T14:36:53.834800Z",
"updated_at": "2022-09-04T14:36:53.834814Z",
"structure_string": "Cd2 As2 P2\n1.0\n5.959491 0.023292 -1.183569\n-1.347469 4.072638 -4.302889\n-0.141558 -0.023292 6.074235\nCd As P\n2 2 2\ndirect\n0.250000 0.383768 0.133768 Cd\n0.750000 0.116232 0.366231 Cd\n0.947377 0.750000 0.697377 As\n0.552622 0.250000 0.802622 As\n0.578495 0.828496 0.749999 P\n0.921504 0.671504 0.249999 P\n",
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"volume": 146.3149035808333,
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"spacegroup": 24
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{
"id": "jvasp-68183",
"created_at": "2022-09-04T14:35:54.736286Z",
"updated_at": "2022-09-04T14:35:54.736312Z",
"structure_string": "Be1 Sn2 Pb1\n1.0\n3.325011 0.000000 -0.000000\n-0.000000 3.325011 0.000000\n0.000000 -0.000000 8.822908\nBe Sn Pb\n1 2 1\ndirect\n-0.000000 0.000000 0.480755 Be\n-0.000000 0.000000 0.010942 Sn\n0.500000 0.500000 0.307848 Sn\n0.500000 0.500000 0.700455 Pb\n",
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},
{
"id": "jvasp-113770",
"created_at": "2022-09-04T14:38:47.507080Z",
"updated_at": "2022-09-04T14:38:47.507103Z",
"structure_string": "Lu1 Bi1 Pd1\n1.0\n4.065597 0.000000 2.347274\n1.355199 3.833082 2.347274\n0.000000 0.000000 4.694548\nLu Bi Pd\n1 1 1\ndirect\n0.500001 0.500000 0.499999 Lu\n0.000000 0.000000 0.000000 Bi\n0.250000 0.250000 0.250000 Pd\n",
"nsites": 3,
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{
"id": "jvasp-2664",
"created_at": "2022-09-04T14:36:43.495280Z",
"updated_at": "2022-09-04T14:36:43.495309Z",
"structure_string": "Al2 Zn1 Se4\n1.0\n5.092089 -0.000000 -2.294917\n-1.034279 4.985944 -2.294917\n-0.021670 -0.026627 6.748681\nAl Zn Se\n2 1 4\ndirect\n0.250000 0.749999 0.499999 Al\n0.500000 0.500000 -0.000001 Al\n0.000000 0.000000 0.000000 Zn\n0.398579 0.378870 0.266233 Se\n0.112638 0.601420 0.733766 Se\n0.621129 0.132346 0.733766 Se\n0.867653 0.887361 0.266232 Se\n",
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{
"id": "jvasp-20946",
"created_at": "2022-09-04T14:38:30.487477Z",
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"structure_string": "Pr8 P8 S32\n1.0\n9.829383 -0.000000 -4.822141\n-2.365667 9.540460 -4.822141\n0.016312 0.020852 12.462358\nPr P S\n8 8 32\ndirect\n0.125000 0.375000 0.250000 Pr\n0.874999 0.625000 0.750000 Pr\n0.624999 0.875000 0.250000 Pr\n0.374999 0.625000 0.750000 Pr\n0.625000 0.375000 0.250000 Pr\n0.125000 0.875000 0.250000 Pr\n0.874999 0.125000 0.750000 Pr\n0.375000 0.125000 0.750000 Pr\n0.287292 0.250000 0.500000 P\n0.787292 0.250000 0.500000 P\n0.750000 0.787292 -0.000000 P\n0.250000 0.712708 -0.000000 P\n0.712707 0.750000 0.500000 P\n0.212707 0.750000 0.500000 P\n0.250000 0.212708 -0.000000 P\n0.750000 0.287292 -0.000000 P\n0.905740 0.886895 0.996046 S\n0.334351 0.906153 0.172643 S\n0.094259 0.113105 0.003954 S\n0.390848 0.094259 0.503954 S\n0.113105 0.909695 0.503954 S\n0.109151 0.590305 0.496046 S\n0.405741 0.109151 0.996046 S\n0.733509 0.661707 0.327356 S\n0.386894 0.405741 0.496046 S\n0.909695 0.390849 0.003954 S\n0.590304 0.386895 0.996046 S\n0.593847 0.165649 0.327356 S\n0.661707 0.593847 0.827356 S\n0.165648 0.733509 0.827356 S\n0.609151 0.905741 0.496046 S\n0.886894 0.090305 0.496046 S\n0.409695 0.613105 0.003954 S\n0.594258 0.890849 0.003954 S\n0.890848 0.409695 0.503954 S\n0.613105 0.594259 0.503954 S\n0.161707 0.233509 0.827356 S\n0.090304 0.609151 0.996046 S\n0.093847 0.161707 0.327357 S\n0.834351 0.266491 0.172643 S\n0.338292 0.406153 0.172643 S\n0.406152 0.834351 0.672643 S\n0.266490 0.338292 0.672643 S\n0.838292 0.766491 0.172643 S\n0.906152 0.838292 0.672643 S\n0.766490 0.334351 0.672643 S\n0.233509 0.665649 0.327356 S\n0.665649 0.093847 0.827356 S\n",
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{
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"structure_string": "Mg1 Al2 Se4\n1.0\n3.870549 0.005110 12.534571\n1.895479 3.374661 12.534571\n0.008718 0.005110 13.118557\nMg Al Se\n1 2 4\ndirect\n0.167572 0.167572 0.167572 Mg\n0.404381 0.404380 0.404380 Al\n0.930763 0.930761 0.930761 Al\n0.871271 0.871270 0.871269 Se\n0.463873 0.463872 0.463872 Se\n0.291577 0.291577 0.291577 Se\n0.043566 0.043566 0.043566 Se\n",
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}