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{
"id": "jvasp-91495",
"created_at": "2022-09-04T14:36:18.488686Z",
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{
"id": "jvasp-45954",
"created_at": "2022-09-04T14:38:03.376922Z",
"updated_at": "2022-09-04T14:38:03.376943Z",
"structure_string": "Li2 Bi6 Br4 O8\n1.0\n-3.919631 3.919631 0.000000\n1.959815 -1.959815 6.341445\n7.820122 7.820122 0.000000\nLi Bi Br O\n2 6 4 8\ndirect\n0.785489 0.570979 -0.000000 Li\n0.214509 0.429020 0.500000 Li\n0.148288 0.296577 -0.000000 Bi\n0.659172 0.318344 0.258074 Bi\n0.340826 0.681655 0.241925 Bi\n0.851710 0.703422 0.500000 Bi\n0.659172 0.318344 0.741925 Bi\n0.340826 0.681655 0.758074 Bi\n0.000000 0.000000 0.750000 Br\n0.497787 0.995577 0.500000 Br\n0.000000 0.000000 0.250000 Br\n0.502211 0.004423 -0.000000 Br\n0.489851 0.484266 0.125831 O\n0.994414 0.484266 0.125831 O\n0.510147 0.515733 0.374169 O\n0.005584 0.515733 0.374169 O\n0.510147 0.515733 0.625831 O\n0.489851 0.484266 0.874169 O\n0.005584 0.515733 0.625831 O\n0.994414 0.484266 0.874169 O\n",
"nsites": 20,
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"elements": [
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],
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"volume": 388.75585061662906,
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"formula_full": "Li2 Bi6 Br4 O8",
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{
"id": "jvasp-109165",
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"updated_at": "2022-09-04T14:37:59.305130Z",
"structure_string": "Li1 Bi3 Cl2 O4\n1.0\n6.634985 0.045503 0.000000\n-4.394194 4.971534 0.000000\n-0.000000 -0.000000 5.487204\nLi Bi Cl O\n1 3 2 4\ndirect\n0.696080 0.303919 0.500000 Li\n0.149609 0.850390 -0.000000 Bi\n0.841144 0.158855 -0.000000 Bi\n0.345352 0.654646 0.500000 Bi\n0.495357 0.504642 -0.000000 Cl\n0.987017 0.012981 0.500000 Cl\n0.494235 0.001518 0.750739 O\n-0.001518 0.505764 0.249260 O\n-0.001518 0.505764 0.750739 O\n0.494235 0.001518 0.249260 O\n",
"nsites": 10,
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],
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{
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"created_at": "2022-09-04T14:38:46.542577Z",
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"structure_string": "Ce2 Al3 Ga1 Pd4\n1.0\n4.360452 -0.000000 0.000000\n0.000000 4.360452 0.000000\n0.000000 0.000000 10.137842\nCe Al Ga Pd\n2 3 1 4\ndirect\n0.500000 0.000000 0.251361 Ce\n-0.000000 0.500000 0.748639 Ce\n0.000000 0.000000 0.500000 Al\n0.500000 0.000000 0.876951 Al\n-0.000000 0.500000 0.123049 Al\n0.500000 0.500000 0.500000 Ga\n0.500000 0.500000 -0.000000 Pd\n0.000000 0.000000 0.000000 Pd\n0.500000 0.000000 0.633112 Pd\n-0.000000 0.500000 0.366887 Pd\n",
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"formula_full": "Ce2 Al3 Ga1 Pd4",
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{
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"created_at": "2022-09-04T14:38:43.535895Z",
"updated_at": "2022-09-04T14:38:43.535918Z",
"structure_string": "Zr1 H2 C3 O4\n1.0\n4.290595 -0.140084 0.874106\n1.665797 4.236226 0.459862\n0.052171 -0.116452 5.839906\nZr H C O\n1 2 3 4\ndirect\n0.721498 0.175806 0.554458 Zr\n0.222741 0.692368 0.033134 H\n0.780260 0.776340 0.108996 H\n0.058483 0.471733 0.351285 C\n0.023920 0.593362 0.098432 C\n0.049057 0.360937 0.923003 C\n-0.002274 0.750543 0.479293 O\n0.391824 0.284636 0.354446 O\n0.324372 0.147156 0.843814 O\n0.786113 0.385490 0.850480 O\n",
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],
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"density_atomic": 0.09313403401186628,
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"formula_full": "Zr1 H2 C3 O4",
"formula_reduced": "ZrH2C3O4",
"formula_anonymous": "AB2C3D4",
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"spacegroup": 1
},
{
"id": "jvasp-107529",
"created_at": "2022-09-04T14:37:15.978211Z",
"updated_at": "2022-09-04T14:37:15.978230Z",
"structure_string": "Rb2 Zn3 Ge1 As4\n1.0\n7.873257 0.047846 0.000000\n-5.715290 5.415341 0.000000\n-0.000000 -0.000000 5.867223\nRb Zn Ge As\n2 3 1 4\ndirect\n0.500000 0.000000 0.250808 Rb\n-0.000000 0.500000 0.749191 Rb\n0.500000 0.500000 0.500000 Zn\n0.500000 0.500000 -0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n0.000000 0.000000 0.000000 Ge\n0.649891 0.862269 0.756079 As\n0.137732 0.350109 0.243920 As\n0.862269 0.649891 0.243920 As\n0.350109 0.137732 0.756079 As\n",
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],
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"formula_anonymous": "AB2C3D4",
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{
"id": "jvasp-112162",
"created_at": "2022-09-04T14:38:43.358788Z",
"updated_at": "2022-09-04T14:38:43.358819Z",
"structure_string": "Cd1 H2 C3 O4\n1.0\n3.729637 0.080758 0.214237\n0.671870 4.112751 0.464532\n0.130294 0.032400 6.480819\nCd H C O\n1 2 3 4\ndirect\n0.524596 0.721956 0.502528 Cd\n0.143527 0.507787 0.051789 H\n0.706190 0.526190 0.978072 H\n0.125630 0.220238 0.811226 C\n0.896989 0.131232 0.206102 C\n0.957595 0.351933 0.010746 C\n0.094485 0.852813 0.247508 O\n0.628660 0.235743 0.331678 O\n0.346190 0.951577 0.810848 O\n0.051981 0.413004 0.643022 O\n",
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],
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"volume": 98.89669825115159,
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"formula_full": "Cd1 H2 C3 O4",
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"formula_anonymous": "AB2C3D4",
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"spacegroup": 1
},
{
"id": "jvasp-112163",
"created_at": "2022-09-04T14:38:45.772730Z",
"updated_at": "2022-09-04T14:38:45.772757Z",
"structure_string": "Cd1 H2 C3 O4\n1.0\n3.699509 0.005965 1.263975\n1.878135 4.668641 0.532216\n0.026454 0.013021 5.972551\nCd H C O\n1 2 3 4\ndirect\n0.382450 0.739060 0.499778 Cd\n0.335996 0.054255 0.946244 H\n0.098217 0.423452 0.052987 H\n0.894032 0.322940 0.792790 C\n0.770718 0.155372 0.206435 C\n0.060241 0.238975 0.999603 C\n0.460183 0.347787 0.326821 O\n0.849604 0.887045 0.243167 O\n0.741657 0.591340 0.756034 O\n0.895938 0.130806 0.672398 O\n",
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"formula_full": "Cd1 H2 C3 O4",
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{
"id": "jvasp-112142",
"created_at": "2022-09-04T14:38:45.128800Z",
"updated_at": "2022-09-04T14:38:45.128827Z",
"structure_string": "Mg2 H4 C6 O8\n1.0\n5.419847 0.101572 -0.654425\n-1.243746 5.714445 -0.407482\n0.214247 0.385645 6.039325\nMg H C O\n2 4 6 8\ndirect\n0.178553 0.736530 0.581053 Mg\n0.904583 0.033821 0.137040 Mg\n0.861401 0.470413 0.199702 H\n0.196235 0.270668 0.496822 H\n0.380218 0.026045 0.214171 H\n0.235553 0.285640 0.806769 H\n0.300592 0.349131 0.648789 C\n0.297059 0.175132 0.162100 C\n0.735730 0.937285 0.614277 C\n0.543275 0.404992 0.636056 C\n0.248657 0.645270 0.081194 C\n0.487769 0.346665 0.146890 C\n0.791077 0.981938 0.820524 O\n0.479375 0.578332 0.083006 O\n0.759492 0.463770 0.623048 O\n0.170288 0.730550 0.908288 O\n0.737234 0.323615 0.158840 O\n0.916521 0.932817 0.477748 O\n0.511488 0.894381 0.525363 O\n0.131596 0.626461 0.255323 O\n",
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{
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"created_at": "2022-09-04T14:38:45.547539Z",
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"structure_string": "Zr1 H2 C3 O4\n1.0\n3.917128 -0.047756 0.377727\n1.479763 3.999320 0.277078\n-0.061872 0.066817 6.076751\nZr H C O\n1 2 3 4\ndirect\n0.163989 0.327613 0.506680 Zr\n0.201450 0.736458 0.948171 H\n0.509943 0.961301 0.944881 H\n0.629286 0.605135 0.694805 C\n0.488457 0.715431 0.930755 C\n0.657863 0.506434 0.128132 C\n0.333279 0.801092 0.555649 O\n0.660620 0.268244 0.663615 O\n0.558217 0.265121 0.210602 O\n0.892588 0.586780 0.222405 O\n",
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{
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"structure_string": "Nd2 Mn3 Fe1 Si4\n1.0\n3.973626 0.000000 0.000000\n0.000000 3.973626 0.000000\n0.000000 0.000000 10.422576\nNd Mn Fe Si\n2 3 1 4\ndirect\n0.500000 0.000000 0.752710 Nd\n0.000000 0.500000 0.247291 Nd\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.500000 0.500000 0.000000 Fe\n0.000000 0.500000 0.879949 Si\n0.500000 0.000000 0.374331 Si\n0.500000 0.000000 0.120052 Si\n0.000000 0.500000 0.625669 Si\n",
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],
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{
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"created_at": "2022-09-04T14:38:44.637481Z",
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"structure_string": "Mg2 H4 C6 O8\n1.0\n4.139078 -0.034901 1.026675\n-0.538096 5.599164 2.119111\n-0.184856 -0.019100 8.124204\nMg H C O\n2 4 6 8\ndirect\n0.357997 0.115401 0.588644 Mg\n0.980406 0.400769 0.040435 Mg\n0.620862 0.652100 0.548307 H\n0.284233 0.920671 0.082112 H\n0.953259 0.498557 0.609594 H\n0.652393 0.786569 0.071159 H\n0.439483 0.812173 0.164046 C\n0.743494 0.583291 0.658069 C\n0.550627 0.953237 0.265881 C\n0.256218 0.571969 0.281730 C\n0.513871 0.398178 0.814993 C\n0.870336 0.778353 0.710067 C\n0.316278 0.259300 0.791410 O\n0.504200 0.396375 0.975448 O\n0.350936 0.445755 0.420637 O\n0.797865 -0.006971 0.648279 O\n0.823330 0.074175 0.196202 O\n0.072567 0.726663 0.811583 O\n0.364432 0.947179 0.413149 O\n0.015999 0.506338 0.235955 O\n",
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}
]
}