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{
"id": "jvasp-86714",
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"updated_at": "2022-09-04T14:35:53.741446Z",
"structure_string": "K1 Na1 B2 H8\n1.0\n4.309751 -0.002757 6.462673\n1.955188 3.840727 6.462673\n-0.004500 -0.002757 7.767888\nK Na B H\n1 1 2 8\ndirect\n0.352892 0.352892 0.352892 K\n0.857091 0.857089 0.857090 Na\n0.592954 0.592953 0.592953 B\n0.102764 0.102764 0.102764 B\n0.374669 0.858742 0.128120 H\n0.537188 0.537187 0.537187 H\n0.858742 0.128120 0.374669 H\n0.758998 0.316112 0.761152 H\n0.128121 0.374669 0.858742 H\n0.046698 0.046698 0.046698 H\n0.316113 0.761151 0.758997 H\n0.761152 0.758997 0.316112 H\n",
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"structure_string": "K1 Na1 B2 H8\n1.0\n4.277750 -0.016784 6.410771\n1.930059 3.817630 6.410771\n-0.027411 -0.016784 7.706906\nK Na B H\n1 1 2 8\ndirect\n0.500000 0.500001 0.499999 K\n0.000000 0.000000 0.000000 Na\n0.254266 0.254266 0.254266 B\n0.745734 0.745736 0.745733 B\n0.802351 0.802353 0.802351 H\n0.514160 0.014241 0.653274 H\n0.485839 0.985761 0.346725 H\n0.346726 0.485841 0.985759 H\n0.653274 0.514161 0.014240 H\n0.197649 0.197649 0.197648 H\n0.014240 0.653275 0.514160 H\n0.985759 0.346727 0.485839 H\n",
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{
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"created_at": "2022-09-04T14:35:43.530326Z",
"updated_at": "2022-09-04T14:35:43.530343Z",
"structure_string": "Ca4 Al4 Au4\n1.0\n4.531999 -0.000000 0.000000\n-0.000000 7.294384 0.000000\n0.000000 0.000000 7.782604\nCa Al Au\n4 4 4\ndirect\n0.250000 0.015419 0.682823 Ca\n0.250000 0.515419 0.817177 Ca\n0.750000 0.984580 0.317177 Ca\n0.750000 0.484580 0.182823 Ca\n0.750000 0.843093 0.930740 Al\n0.250000 0.156907 0.069260 Al\n0.250000 0.656906 0.430740 Al\n0.750000 0.343093 0.569259 Al\n0.250000 0.791137 0.111592 Au\n0.750000 0.208863 0.888407 Au\n0.750000 0.708862 0.611592 Au\n0.250000 0.291137 0.388407 Au\n",
"nsites": 12,
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"elements": [
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"density_atomic": 0.046642077421932146,
"volume": 257.27842032947984,
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{
"id": "jvasp-86711",
"created_at": "2022-09-04T14:36:18.666781Z",
"updated_at": "2022-09-04T14:36:18.666799Z",
"structure_string": "Na2 Ag2 C4 N4\n1.0\n3.598616 0.000000 0.000000\n-1.799308 3.110108 0.120818\n0.000000 1.314212 18.348586\nNa Ag C N\n2 2 4 4\ndirect\n0.835849 -0.000000 0.250000 Na\n0.164151 -0.000000 0.750000 Na\n-0.000000 0.500000 0.500000 Ag\n0.500000 0.500000 0.000000 Ag\n0.520935 0.425217 0.110818 C\n0.095717 0.574783 0.389183 C\n0.479066 0.574783 0.889183 C\n0.904283 0.425217 0.610818 C\n0.530092 0.382225 0.174481 N\n0.469908 0.617775 0.825520 N\n0.852134 0.382225 0.674481 N\n0.147867 0.617776 0.325520 N\n",
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{
"id": "jvasp-86710",
"created_at": "2022-09-04T14:36:11.828504Z",
"updated_at": "2022-09-04T14:36:11.828523Z",
"structure_string": "Th4 Ga2\n1.0\n5.194741 0.000000 2.921502\n2.597370 5.307723 1.460752\n-0.004435 -0.000000 6.087038\nTh Ga\n4 2\ndirect\n0.159094 0.500000 0.181811 Th\n0.840905 0.500000 0.818189 Th\n0.340905 0.818189 0.500000 Th\n0.659094 0.181811 0.500000 Th\n0.250000 -0.000000 -0.000000 Ga\n0.750000 -0.000000 -0.000000 Ga\n",
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"elements": [
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{
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"created_at": "2022-09-04T14:37:06.763369Z",
"updated_at": "2022-09-04T14:37:06.763393Z",
"structure_string": "Li2 Mn1 Br4\n1.0\n3.850156 0.000000 0.000000\n0.000000 6.296051 -2.262298\n0.000000 0.003652 6.690160\nLi Mn Br\n2 1 4\ndirect\n0.500001 0.500000 -0.000000 Li\n0.500001 -0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n0.500001 0.243805 0.243805 Br\n0.500001 0.756194 0.756195 Br\n0.000000 0.245094 0.754905 Br\n0.000000 0.754905 0.245094 Br\n",
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{
"id": "jvasp-86709",
"created_at": "2022-09-04T14:36:05.489198Z",
"updated_at": "2022-09-04T14:36:05.489226Z",
"structure_string": "K4 Nb2 Cl12\n1.0\n6.829117 -0.000000 0.000000\n0.000000 6.829117 0.000000\n0.000000 -0.000000 10.265153\nK Nb Cl\n4 2 12\ndirect\n0.500000 0.000000 0.750000 K\n0.000000 0.500000 0.750000 K\n0.500000 0.000000 0.250000 K\n0.000000 0.500000 0.250000 K\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.500000 Nb\n0.298019 0.792644 0.500000 Cl\n0.292644 0.798019 0.000000 Cl\n0.207356 0.298019 0.500000 Cl\n0.707357 0.201981 0.000000 Cl\n0.201981 0.292644 0.000000 Cl\n0.701982 0.207356 0.500000 Cl\n0.500000 0.500000 0.260670 Cl\n0.792644 0.701982 0.500000 Cl\n0.000000 0.000000 0.760670 Cl\n0.500000 0.500000 0.739330 Cl\n0.798019 0.707357 0.000000 Cl\n0.000000 0.000000 0.239330 Cl\n",
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"elements": [
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"created_at": "2022-09-04T14:35:59.286736Z",
"updated_at": "2022-09-04T14:35:59.286757Z",
"structure_string": "U1 Mn2 Si2\n1.0\n3.746764 -0.000000 -1.329330\n-0.471639 3.716961 -1.329330\n-0.153001 -0.173642 5.513618\nU Mn Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 U\n0.250000 0.750000 0.500000 Mn\n0.749999 0.250000 0.500000 Mn\n0.626199 0.626200 0.252399 Si\n0.373800 0.373801 0.747601 Si\n",
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{
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"created_at": "2022-09-04T14:35:54.808964Z",
"updated_at": "2022-09-04T14:35:54.808990Z",
"structure_string": "Mo4 Cl12\n1.0\n5.720533 0.049634 -0.078169\n-2.477033 5.156672 -0.078169\n-0.058507 -0.093912 12.049169\nMo Cl\n4 12\ndirect\n0.977922 0.022076 0.750000 Mo\n0.022077 0.977923 0.250000 Mo\n0.289291 0.710708 0.250000 Mo\n0.710708 0.289291 0.750000 Mo\n0.675788 0.649877 0.639746 Cl\n0.010098 0.660904 0.860601 Cl\n0.317732 0.006693 0.109111 Cl\n-0.006693 0.682268 0.390889 Cl\n0.649877 0.675788 0.139746 Cl\n0.660903 0.010097 0.360601 Cl\n0.350122 0.324211 0.860254 Cl\n0.006693 0.317732 0.609111 Cl\n0.339096 -0.010098 0.639399 Cl\n-0.010098 0.339096 0.139399 Cl\n0.682267 -0.006693 0.890889 Cl\n0.324211 0.350122 0.360254 Cl\n",
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{
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"created_at": "2022-09-04T14:35:48.698682Z",
"updated_at": "2022-09-04T14:35:48.698716Z",
"structure_string": "Bi2 Te3\n1.0\n4.274650 -0.112894 8.783287\n1.934361 3.813611 8.783287\n-0.189412 -0.112894 9.766417\nBi Te\n2 3\ndirect\n0.193894 0.193895 0.193894 Bi\n0.596099 0.596101 0.596099 Bi\n0.995155 0.995158 0.995156 Te\n0.395007 0.395008 0.395007 Te\n0.794842 0.794844 0.794843 Te\n",
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{
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"created_at": "2022-09-04T14:35:42.101491Z",
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"structure_string": "Cd2 Ru1 C6 N6\n1.0\n6.370397 -0.000000 -0.000000\n-3.185198 5.516925 0.000000\n-0.000000 0.000000 6.672942\nCd Ru C N\n2 1 6 6\ndirect\n0.666667 0.333333 0.499983 Cd\n0.333333 0.666668 0.500017 Cd\n0.000000 0.000000 0.000000 Ru\n0.250095 0.000002 0.183218 C\n0.000002 0.749908 0.816782 C\n0.749908 0.749905 0.183218 C\n0.749905 -0.000002 0.816782 C\n-0.000002 0.250093 0.183218 C\n0.250093 0.250095 0.816782 C\n0.385775 0.385776 0.696140 N\n0.999999 0.385775 0.303860 N\n0.614226 0.614224 0.303860 N\n0.385776 0.000001 0.303860 N\n0.000001 0.614226 0.696140 N\n0.614224 1.000000 0.696140 N\n",
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"structure_string": "Dy1 Ga2 Cu3\n1.0\n5.284992 0.000000 -0.000000\n-2.642496 4.576937 0.000000\n0.000000 -0.000000 3.978732\nDy Ga Cu\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Dy\n0.666667 0.333333 0.000000 Ga\n0.333333 0.666667 0.000000 Ga\n0.500000 -0.000000 0.500000 Cu\n-0.000000 0.500000 0.500000 Cu\n0.500000 0.500000 0.500000 Cu\n",
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}