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"results": [
{
"id": "jvasp-44599",
"created_at": "2022-09-04T14:38:33.914847Z",
"updated_at": "2022-09-04T14:38:33.914878Z",
"structure_string": "Na6 Mn2 B2 S2 O14\n1.0\n0.000000 5.257519 0.014281\n6.840676 0.000000 0.000000\n0.000000 -0.089328 -9.017011\nNa Mn B S O\n6 2 2 2 14\ndirect\n0.250479 0.750000 0.064755 Na\n0.761943 0.008286 0.238111 Na\n0.761943 0.491714 0.238111 Na\n0.238056 0.508286 0.761889 Na\n0.238056 0.991715 0.761889 Na\n0.749521 0.250000 0.935245 Na\n0.242781 0.250000 0.337342 Mn\n0.757219 0.750000 0.662658 Mn\n0.732810 0.750000 0.938639 B\n0.267190 0.250000 0.061361 B\n0.289606 0.750000 0.417351 S\n0.710394 0.250000 0.582649 S\n0.519659 0.750000 0.842264 O\n0.786329 0.075403 0.670587 O\n0.786329 0.424597 0.670587 O\n0.427536 0.250000 0.558807 O\n0.163926 0.750000 0.563720 O\n0.836074 0.250000 0.436280 O\n0.710485 0.750000 0.088579 O\n0.213671 0.575403 0.329413 O\n0.213671 0.924598 0.329413 O\n0.480341 0.250000 0.157736 O\n0.034131 0.250000 0.134674 O\n0.965869 0.750000 0.865326 O\n0.572463 0.750000 0.441193 O\n0.289515 0.250000 0.911421 O\n",
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{
"id": "jvasp-50870",
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"structure_string": "Cd1 Cu1 H8 Cl4 O4\n1.0\n3.997310 0.003544 -0.055713\n1.892523 6.717739 -0.186450\n1.076549 -0.101462 8.432669\nCd Cu H Cl O\n1 1 8 4 4\ndirect\n0.000000 0.000000 0.500000 Cd\n0.500000 -0.000000 0.000000 Cu\n0.883128 0.659603 0.879922 H\n0.663954 0.639357 0.047912 H\n0.580989 0.407162 0.207733 H\n0.722551 0.559983 0.305317 H\n0.336045 0.360642 0.952089 H\n0.277448 0.440017 0.694684 H\n0.116871 0.340397 0.120078 H\n0.419011 0.592838 0.792268 H\n0.075204 0.934200 0.189231 Cl\n0.369982 0.262324 0.475272 Cl\n0.630017 0.737676 0.524729 Cl\n0.924795 0.065799 0.810770 Cl\n0.743371 0.491649 0.200363 O\n0.350136 0.285080 0.053674 O\n0.256628 0.508351 0.799638 O\n0.649863 0.714920 0.946327 O\n",
"nsites": 18,
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"elements": [
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],
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"density": 2.855159732829075,
"density_atomic": 0.079392307748772,
"volume": 226.72221667820727,
"volume_molar": 7.58529501252991,
"formula_full": "Cd1 Cu1 H8 Cl4 O4",
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},
{
"id": "jvasp-20805",
"created_at": "2022-09-04T14:37:55.463123Z",
"updated_at": "2022-09-04T14:37:55.463147Z",
"structure_string": "Ca10 Zn6\n1.0\n7.076486 -0.000000 -3.249124\n-1.491815 6.917453 -3.249124\n0.028042 0.034735 9.391816\nCa Zn\n10 6\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500001 0.500000 0.000001 Ca\n0.318146 0.818145 0.295338 Ca\n0.477193 0.318145 0.295338 Ca\n0.818146 0.977192 0.295339 Ca\n0.522808 0.681854 0.704663 Ca\n0.181855 0.022807 0.704662 Ca\n0.022807 0.522807 0.704663 Ca\n0.681855 0.181854 0.704663 Ca\n0.977193 0.477192 0.295339 Ca\n0.250000 0.250000 0.500000 Zn\n0.750001 0.749999 0.500001 Zn\n0.381455 0.881454 0.000001 Zn\n0.118546 0.381454 0.000000 Zn\n0.881455 0.618546 0.000001 Zn\n0.618546 0.118546 0.000000 Zn\n",
"nsites": 16,
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{
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"created_at": "2022-09-04T14:38:43.261567Z",
"updated_at": "2022-09-04T14:38:43.261590Z",
"structure_string": "Li1 Br2\n1.0\n5.174686 -0.000000 -0.000000\n-2.587343 4.481410 -0.000000\n-0.000000 0.000000 4.181087\nLi Br\n1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.333334 0.666667 0.000000 Br\n0.666667 0.333333 0.000000 Br\n",
"nsites": 3,
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"elements": [
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"volume": 96.95894588472817,
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"formula_full": "Li1 Br2",
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{
"id": "jvasp-57178",
"created_at": "2022-09-04T14:37:35.148702Z",
"updated_at": "2022-09-04T14:37:35.148720Z",
"structure_string": "K1 Na1 Mg2 Si4 O10 F2\n1.0\n5.279737 0.008903 -0.491698\n-2.679157 4.549486 -0.491698\n-0.056589 -0.099192 10.203134\nK Na Mg Si O F\n1 1 2 4 10 2\ndirect\n0.500000 0.500000 -0.000000 K\n0.000000 0.000000 0.500000 Na\n0.333808 0.666193 0.500000 Mg\n0.666192 0.333808 0.500000 Mg\n0.748680 0.088541 0.777028 Si\n0.911459 0.251320 0.222971 Si\n0.088541 0.748681 0.777028 Si\n0.251320 0.911459 0.222971 Si\n0.936882 0.443850 0.843951 O\n0.322423 0.959668 0.382694 O\n0.063118 0.556150 0.156048 O\n0.677577 0.040333 0.617305 O\n0.050975 0.050975 0.165575 O\n0.949025 0.949026 0.834424 O\n0.556150 0.063118 0.156048 O\n0.443850 0.936883 0.843951 O\n0.040333 0.677577 0.617305 O\n0.959667 0.322423 0.382694 O\n0.593442 0.593442 0.389203 F\n0.406558 0.406558 0.610796 F\n",
"nsites": 20,
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"F"
],
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"volume": 244.80904756137545,
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"formula_full": "K1 Na1 Mg2 Si4 O10 F2",
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{
"id": "jvasp-21430",
"created_at": "2022-09-04T14:37:30.892977Z",
"updated_at": "2022-09-04T14:37:30.892998Z",
"structure_string": "Ca4 Be8 P8 O32\n1.0\n0.000000 7.845017 0.002359\n8.839444 0.000000 0.000000\n0.000000 -0.068576 -8.319258\nCa Be P O\n4 8 8 32\ndirect\n0.243722 0.586278 0.884149 Ca\n0.756277 0.086278 0.615851 Ca\n0.756278 0.413722 0.115851 Ca\n0.243722 0.913722 0.384149 Ca\n0.570364 0.804584 0.053934 Be\n0.069937 0.922831 0.765016 Be\n0.930063 0.422831 0.734984 Be\n0.930063 0.077169 0.234984 Be\n0.069937 0.577168 0.265016 Be\n0.429636 0.304585 0.446066 Be\n0.429636 0.195415 0.946066 Be\n0.570364 0.695415 0.553934 Be\n0.439005 0.581127 0.260658 P\n0.560995 0.081127 0.239342 P\n0.439004 0.918872 0.760659 P\n0.560995 0.418872 0.739342 P\n0.061380 0.301950 0.443057 P\n0.061379 0.198050 0.943057 P\n0.938620 0.698050 0.556943 P\n0.938621 0.801949 0.056943 P\n0.997248 0.410573 0.308326 O\n0.997248 0.089427 0.808326 O\n0.002752 0.589427 0.691674 O\n0.563654 0.631833 0.126954 O\n0.436346 0.131833 0.373046 O\n0.436346 0.368167 0.873046 O\n0.942463 0.636000 0.120288 O\n0.057537 0.136000 0.379712 O\n0.057537 0.364000 0.879713 O\n0.942463 0.864000 0.620288 O\n0.434347 0.692576 0.402634 O\n0.565653 0.192576 0.097366 O\n0.002752 0.910573 0.191674 O\n0.563654 0.868166 0.626955 O\n0.495207 0.575523 0.687936 O\n0.239503 0.154490 0.001180 O\n0.504793 0.424477 0.312065 O\n0.495207 0.924477 0.187935 O\n0.069041 0.690414 0.418427 O\n0.930959 0.190414 0.081573 O\n0.930959 0.309586 0.581574 O\n0.069040 0.809585 0.918427 O\n0.760497 0.845510 -0.001181 O\n0.239503 0.345510 0.501181 O\n0.565653 0.307424 0.597366 O\n0.760497 0.654490 0.498820 O\n0.741239 0.422604 0.818681 O\n0.741239 0.077396 0.318681 O\n0.258761 0.577396 0.181319 O\n0.258761 0.922604 0.681319 O\n0.504793 0.075523 0.812065 O\n0.434347 0.807424 0.902634 O\n",
"nsites": 52,
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],
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"formula_full": "Ca4 Be8 P8 O32",
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{
"id": "jvasp-43803",
"created_at": "2022-09-04T14:36:17.437282Z",
"updated_at": "2022-09-04T14:36:17.437314Z",
"structure_string": "Li2 V2 F8\n1.0\n4.011494 0.007604 -0.003423\n-0.012100 6.523934 -0.020490\n-1.990430 -1.851726 5.956140\nLi V F\n2 2 8\ndirect\n0.913034 0.799720 0.829081 Li\n0.085564 0.201507 0.172314 Li\n0.795458 0.206327 0.593475 V\n0.203055 0.794902 0.407918 V\n0.927086 0.117959 0.857507 F\n0.863111 0.496602 0.729479 F\n0.277569 0.145382 0.557541 F\n0.353642 0.797026 0.710178 F\n0.644877 0.204209 0.291219 F\n0.720940 0.855844 0.443847 F\n0.135461 0.504630 0.271909 F\n0.071412 0.883272 0.143886 F\n",
"nsites": 12,
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],
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"formula_full": "Li2 V2 F8",
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},
{
"id": "jvasp-42244",
"created_at": "2022-09-04T14:36:01.090106Z",
"updated_at": "2022-09-04T14:36:01.090127Z",
"structure_string": "Na12 Fe2 O8\n1.0\n7.507571 0.000334 -0.000117\n0.000334 7.507708 0.000041\n-0.000077 0.000034 5.318117\nNa Fe O\n12 2 8\ndirect\n0.043109 0.543113 0.750007 Na\n0.956907 0.456902 0.249993 Na\n0.750006 0.750012 0.859017 Na\n0.750010 0.749999 0.359012 Na\n0.543094 0.456919 0.249999 Na\n0.543109 0.043117 0.250016 Na\n0.956918 0.043107 0.250010 Na\n0.456921 0.543096 0.750001 Na\n0.250009 0.250003 0.140982 Na\n0.250005 0.250016 0.640988 Na\n0.043097 0.956908 0.749989 Na\n0.456907 0.956899 0.749983 Na\n0.250004 0.750004 0.249986 Fe\n0.750011 0.250011 0.750013 Fe\n0.750009 0.497419 0.591253 O\n0.997429 0.250010 0.908734 O\n0.250008 0.997434 0.408726 O\n0.250006 0.502596 0.408742 O\n0.502591 0.250009 0.908741 O\n0.497425 0.750007 0.091263 O\n0.750008 0.002582 0.591269 O\n0.002586 0.750005 0.091271 O\n",
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{
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"created_at": "2022-09-04T14:38:32.303525Z",
"updated_at": "2022-09-04T14:38:32.303536Z",
"structure_string": "Sc7 Cl12\n1.0\n7.686825 -0.001858 -2.411273\n-3.283013 6.950476 -2.411272\n-0.001176 -0.001858 8.056148\nSc Cl\n7 12\ndirect\n0.312306 0.031217 0.104978 Sc\n0.031217 0.104977 0.312306 Sc\n0.687694 0.968783 0.895023 Sc\n0.895023 0.687693 0.968783 Sc\n0.968783 0.895022 0.687695 Sc\n0.500000 0.500000 0.500000 Sc\n0.104978 0.312306 0.031218 Sc\n0.225606 0.684516 0.075988 Cl\n0.684516 0.075987 0.225606 Cl\n0.613193 0.844873 0.533348 Cl\n0.315484 0.924013 0.774395 Cl\n0.075987 0.225606 0.684516 Cl\n0.466653 0.386807 0.155127 Cl\n0.155127 0.466653 0.386808 Cl\n0.386807 0.155127 0.466653 Cl\n0.533347 0.613193 0.844874 Cl\n0.844873 0.533347 0.613193 Cl\n0.774394 0.315484 0.924013 Cl\n0.924014 0.774394 0.315485 Cl\n",
"nsites": 19,
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],
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},
{
"id": "jvasp-103560",
"created_at": "2022-09-04T14:36:43.201504Z",
"updated_at": "2022-09-04T14:36:43.201522Z",
"structure_string": "K2 Ce1 Ag1 Cl6\n1.0\n6.602237 -0.000000 3.811803\n2.200746 6.224649 3.811803\n-0.000000 -0.000000 7.623607\nK Ce Ag Cl\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500001 0.500000 0.499999 Ce\n0.000000 0.000000 0.000000 Ag\n0.752038 0.247963 0.247962 Cl\n0.247963 0.247963 0.752037 Cl\n0.247964 0.752037 0.752037 Cl\n0.247964 0.752037 0.247962 Cl\n0.752038 0.247963 0.752037 Cl\n0.752038 0.752037 0.247962 Cl\n",
"nsites": 10,
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],
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"density": 2.8562080351085286,
"density_atomic": 0.03191784214997454,
"volume": 313.30438796621394,
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},
{
"id": "jvasp-100123",
"created_at": "2022-09-04T14:36:22.258236Z",
"updated_at": "2022-09-04T14:36:22.258263Z",
"structure_string": "Rb2 Li1 Sc1 Cl6\n1.0\n6.149736 -0.000000 3.550551\n2.049912 5.798026 3.550551\n0.000000 0.000000 7.101103\nRb Li Sc Cl\n2 1 1 6\ndirect\n0.750000 0.750001 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.499999 Li\n0.000000 0.000000 0.000000 Sc\n0.752608 0.247393 0.247392 Cl\n0.247393 0.247393 0.752607 Cl\n0.247393 0.752608 0.752607 Cl\n0.247393 0.752608 0.247392 Cl\n0.752608 0.247393 0.752606 Cl\n0.752607 0.752608 0.247392 Cl\n",
"nsites": 10,
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],
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"volume": 253.1992664011965,
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"formula_full": "Rb2 Li1 Sc1 Cl6",
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"spacegroup": 225
},
{
"id": "jvasp-52842",
"created_at": "2022-09-04T14:36:40.897821Z",
"updated_at": "2022-09-04T14:36:40.897831Z",
"structure_string": "Al6 C3 N2\n1.0\n-3.479176 0.002774 0.018118\n-0.003972 -4.189334 -0.046077\n0.048214 1.846690 9.031321\nAl C N\n6 3 2\ndirect\n0.138236 0.724368 0.749213 Al\n0.138749 0.922733 0.394296 Al\n0.638266 0.488912 0.513820 Al\n0.138072 0.373498 0.143613 Al\n0.638197 0.241253 0.834497 Al\n0.638117 0.839243 0.063791 Al\n0.138100 0.898595 0.183212 C\n0.138288 0.297343 0.577008 C\n0.638228 0.737049 0.837269 C\n0.638090 0.334894 0.052123 N\n0.138228 0.168802 0.715970 N\n",
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],
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]
}