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{
"id": "jvasp-112221",
"created_at": "2022-09-04T14:38:46.907344Z",
"updated_at": "2022-09-04T14:38:46.907370Z",
"structure_string": "H12 Pb1 C8 O4\n1.0\n3.917629 -0.110511 -0.386702\n-1.141250 4.404507 -0.182024\n-0.063411 -0.085450 12.984944\nH Pb C O\n12 1 8 4\ndirect\n0.071794 0.922857 0.538900 H\n0.513399 0.945084 0.580000 H\n0.293741 0.809084 0.160737 H\n0.743273 0.835684 0.201531 H\n0.983715 0.392586 0.450904 H\n0.171712 0.857024 0.350151 H\n0.105687 0.338490 0.260669 H\n0.555156 0.371261 0.302289 H\n0.213616 0.283141 0.072447 H\n0.655207 0.305383 0.113570 H\n0.433262 0.419198 0.491670 H\n0.621208 0.889854 0.391756 H\n0.863535 0.114104 0.826218 Pb\n0.128078 0.637344 0.657810 C\n0.250680 0.780029 0.560183 C\n0.249677 0.555580 0.468989 C\n0.357722 0.721995 0.372488 C\n0.369189 0.506321 0.279943 C\n0.477304 0.672698 0.183440 C\n0.476331 0.448199 0.092264 C\n0.598984 0.590804 -0.005369 C\n0.229896 0.805198 0.745308 O\n0.923217 0.369133 0.652392 O\n0.497090 0.422912 0.907140 O\n0.803976 0.858961 0.000035 O\n",
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{
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"structure_string": "Li4 Cr2 P2 C2 O14\n1.0\n0.000000 4.982964 0.034747\n6.313390 0.000000 0.000000\n0.000000 -0.847507 -8.228468\nLi Cr P C O\n4 2 2 2 14\ndirect\n0.790524 0.244224 0.899703 Li\n0.263619 0.464294 0.721942 Li\n0.736380 0.964294 0.278058 Li\n0.209474 0.744224 0.100297 Li\n0.796418 0.752677 0.677015 Cr\n0.203581 0.252677 0.322985 Cr\n0.729762 0.249535 0.582334 P\n0.270237 0.749535 0.417666 P\n0.674282 0.751768 0.954386 C\n0.325717 0.251768 0.045613 C\n0.495070 0.223841 0.176242 O\n0.160867 0.937458 0.306334 O\n0.208242 0.560505 0.300125 O\n0.865625 0.230928 0.426534 O\n0.580126 0.778552 0.460922 O\n0.419873 0.278552 0.539078 O\n0.400853 0.279334 0.906584 O\n0.839131 0.437458 0.693666 O\n0.791757 0.060505 0.699875 O\n0.504928 0.723841 0.823758 O\n0.599146 0.779334 0.093416 O\n0.928069 0.754899 0.923573 O\n0.134374 0.730928 0.573465 O\n0.071930 0.254899 0.076427 O\n",
"nsites": 24,
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"density_atomic": 0.09277990383017151,
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"formula_full": "Li4 Cr2 P2 C2 O14",
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"spacegroup": 4
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{
"id": "jvasp-112172",
"created_at": "2022-09-04T14:38:45.702499Z",
"updated_at": "2022-09-04T14:38:45.702524Z",
"structure_string": "Cd1 H6 C5 O4\n1.0\n4.011138 0.110778 0.360957\n1.301356 4.211132 1.200960\n0.069904 0.057487 8.500145\nCd H C O\n1 6 5 4\ndirect\n0.411619 0.274136 0.761799 Cd\n0.787485 0.009418 0.278486 H\n0.203478 0.787918 0.368857 H\n0.667891 0.496609 0.299247 H\n0.394023 0.457846 0.136702 H\n0.078890 0.280475 0.390725 H\n0.111223 0.263292 0.106087 H\n0.769064 0.778597 0.531833 C\n0.933126 0.784211 0.362093 C\n0.938390 0.498770 0.301001 C\n0.113776 0.483960 0.134494 C\n0.964885 0.754314 0.985404 C\n0.851161 0.508461 0.643238 O\n0.555008 0.038080 0.553270 O\n0.672762 0.971255 -0.001541 O\n0.139725 0.755202 0.851341 O\n",
"nsites": 16,
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"volume": 142.00734270470045,
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{
"id": "jvasp-35204",
"created_at": "2022-09-04T14:38:04.929752Z",
"updated_at": "2022-09-04T14:38:04.929771Z",
"structure_string": "Na2 Ca2 P6 O18\n1.0\n6.781225 0.009538 0.023793\n0.894433 6.898208 -0.014634\n1.193652 0.703371 7.512943\nNa Ca P O\n2 2 6 18\ndirect\n0.460263 0.374036 0.344763 Na\n0.539735 0.625965 0.655237 Na\n0.013890 0.723687 0.637746 Ca\n0.986108 0.276313 0.362254 Ca\n0.385431 0.883813 0.277669 P\n0.194054 0.661859 0.047843 P\n0.614567 0.116188 0.722331 P\n0.164903 0.199961 0.726902 P\n0.835095 0.800040 0.273098 P\n0.805944 0.338141 0.952157 P\n0.243517 0.651953 0.850992 O\n0.340910 0.729255 0.428422 O\n0.659089 0.270745 0.571578 O\n0.312941 0.828776 0.099947 O\n0.687058 0.171224 0.900053 O\n0.216894 0.481763 0.172318 O\n0.783104 0.518238 0.827682 O\n0.756482 0.348047 0.149008 O\n0.624084 0.863018 0.208415 O\n0.039034 0.244019 0.918478 O\n0.832558 0.619279 0.403452 O\n0.167440 0.380722 0.596548 O\n0.681078 0.906948 0.697244 O\n0.375915 0.136982 0.791585 O\n0.918410 0.962032 0.340297 O\n0.081589 0.037969 0.659703 O\n0.960964 0.755981 0.081522 O\n0.318920 0.093052 0.302756 O\n",
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{
"id": "jvasp-92457",
"created_at": "2022-09-04T14:35:53.480080Z",
"updated_at": "2022-09-04T14:35:53.480100Z",
"structure_string": "Li2 Cu1 S2\n1.0\n3.447186 0.000756 -0.000093\n-1.723090 3.953312 0.443487\n-0.000190 0.758150 6.165843\nLi Cu S\n2 1 2\ndirect\n0.336214 0.665848 0.655439 Li\n0.671793 0.335472 0.333675 Li\n0.004010 0.000639 0.994480 Cu\n0.395610 0.783597 0.242179 S\n0.612440 0.217765 0.746907 S\n",
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"formula_full": "Li2 Cu1 S2",
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"spacegroup": 12
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{
"id": "jvasp-100084",
"created_at": "2022-09-04T14:36:51.167120Z",
"updated_at": "2022-09-04T14:36:51.167153Z",
"structure_string": "K3 Au1 Cl6\n1.0\n6.568405 0.000000 3.792271\n2.189468 6.192752 3.792271\n0.000000 0.000000 7.584541\nK Au Cl\n3 1 6\ndirect\n0.750001 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500001 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Au\n0.767731 0.232269 0.232269 Cl\n0.232269 0.232269 0.767731 Cl\n0.232270 0.767731 0.767731 Cl\n0.232270 0.767731 0.232269 Cl\n0.767731 0.232269 0.767730 Cl\n0.767732 0.767731 0.232269 Cl\n",
"nsites": 10,
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"formula_full": "K3 Au1 Cl6",
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{
"id": "jvasp-10481",
"created_at": "2022-09-04T14:36:32.000242Z",
"updated_at": "2022-09-04T14:36:32.000262Z",
"structure_string": "K4 Na2 Al2 As4\n1.0\n6.029266 -0.000000 -2.400363\n-1.024763 6.109329 -2.574015\n0.016534 0.033440 8.813911\nK Na Al As\n4 2 2 4\ndirect\n0.324256 0.558766 0.648512 K\n0.175745 0.910255 0.351487 K\n0.675745 0.441234 0.351488 K\n0.824256 0.089746 0.648513 K\n0.250000 0.500000 -0.000000 Na\n0.750001 0.500000 0.000000 Na\n0.250000 -0.000000 0.000000 Al\n0.750001 -0.000000 0.000000 Al\n0.904021 0.701411 0.808041 As\n0.095980 0.298589 0.191959 As\n0.595980 0.893370 0.191959 As\n0.404020 0.106630 0.808041 As\n",
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{
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"created_at": "2022-09-04T14:36:02.161038Z",
"updated_at": "2022-09-04T14:36:02.161064Z",
"structure_string": "Na1 Li1 As1\n1.0\n0.000000 3.130864 3.130864\n3.130864 0.000000 3.130864\n3.130864 3.130864 -0.000000\nNa Li As\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.749999 0.749999 0.749999 Li\n0.499999 0.499999 0.499999 As\n",
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{
"id": "jvasp-115552",
"created_at": "2022-09-04T14:38:46.783649Z",
"updated_at": "2022-09-04T14:38:46.783674Z",
"structure_string": "Ba1 Cd1 O1\n1.0\n4.461126 -0.000000 0.000000\n-0.000000 4.461126 0.000000\n-0.000000 -0.000000 7.815459\nBa Cd O\n1 1 1\ndirect\n0.000000 0.000000 0.426140 Ba\n0.000000 0.000000 -0.028174 Cd\n0.000000 0.000000 0.704918 O\n",
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{
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"created_at": "2022-09-04T14:35:53.117567Z",
"updated_at": "2022-09-04T14:35:53.117587Z",
"structure_string": "Rb1 Cl1\n1.0\n4.020784 0.000000 2.321401\n1.340261 3.790831 2.321401\n0.000000 0.000000 4.642802\nRb Cl\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.499999 0.500000 0.500000 Cl\n",
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{
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"created_at": "2022-09-04T14:38:33.342446Z",
"updated_at": "2022-09-04T14:38:33.342474Z",
"structure_string": "H12 Os1 N5 Cl3 O1\n1.0\n6.173289 0.034936 -2.653293\n-3.504761 5.556220 -1.412713\n0.022037 -0.034936 6.719299\nH Os N Cl O\n12 1 5 3 1\ndirect\n0.465277 0.132592 0.132592 H\n0.160190 0.394045 0.910763 H\n0.839811 0.750574 0.233857 H\n0.516718 0.910763 0.750574 H\n0.160190 0.910763 0.394046 H\n0.839811 0.233856 0.750574 H\n0.483283 0.233856 0.394046 H\n0.516718 0.750573 0.910764 H\n0.534723 0.667315 0.667316 H\n0.000000 0.667315 0.132592 H\n0.000000 0.132591 0.667315 H\n0.483283 0.394046 0.233857 H\n0.000000 0.029671 0.029671 Os\n0.000000 0.238108 0.238108 N\n0.591536 0.812595 0.812596 N\n0.000000 0.812595 0.221059 N\n0.000000 0.221058 0.812595 N\n0.408464 0.221059 0.221059 N\n0.000000 0.751146 0.751147 Cl\n0.500000 0.750702 0.250702 Cl\n0.500000 0.250701 0.750702 Cl\n0.000000 0.378869 0.378869 O\n",
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{
"id": "jvasp-113493",
"created_at": "2022-09-04T14:38:49.538837Z",
"updated_at": "2022-09-04T14:38:49.538864Z",
"structure_string": "Rb2 Cl2\n1.0\n4.637368 -0.000000 -0.000000\n0.000000 4.637368 -0.000000\n0.000000 0.000000 6.581045\nRb Cl\n2 2\ndirect\n0.000000 0.000000 0.250016 Rb\n0.500000 0.500000 0.749984 Rb\n0.000000 0.000000 0.749988 Cl\n0.500000 0.500000 0.250011 Cl\n",
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"volume": 141.5265702608059,
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"formula_full": "Rb2 Cl2",
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]
}