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{
"id": "jvasp-39994",
"created_at": "2022-09-04T14:37:41.576356Z",
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"structure_string": "Ca1 Cd1 Hg2\n1.0\n-0.000000 3.640393 3.640393\n3.640393 -0.000000 3.640393\n3.640393 3.640393 0.000000\nCa Cd Hg\n1 1 2\ndirect\n0.249999 0.249999 0.249999 Ca\n0.749999 0.749999 0.749999 Cd\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Hg\n",
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{
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"created_at": "2022-09-04T14:36:56.794407Z",
"updated_at": "2022-09-04T14:36:56.794425Z",
"structure_string": "Ca1 Cd1 C2 O6\n1.0\n4.566490 -0.026973 4.216934\n1.829049 4.184273 4.216934\n-0.041495 -0.026973 6.215597\nCa Cd C O\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 Ca\n0.499999 0.500000 0.500000 Cd\n0.247755 0.247756 0.247756 C\n0.752243 0.752245 0.752244 C\n0.990640 0.247181 0.507573 O\n0.507574 0.990640 0.247179 O\n0.247179 0.507574 0.990641 O\n0.009359 0.752820 0.492426 O\n0.492425 0.009360 0.752820 O\n0.752820 0.492427 0.009359 O\n",
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"density": 3.767164078736551,
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"volume": 120.11905450795156,
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{
"id": "jvasp-39925",
"created_at": "2022-09-04T14:37:43.893991Z",
"updated_at": "2022-09-04T14:37:43.894002Z",
"structure_string": "Ca1 Cd1 Au2\n1.0\n0.000000 3.499697 3.499697\n3.499697 0.000000 3.499697\n3.499697 3.499697 0.000000\nCa Cd Au\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Ca\n0.750001 0.750001 0.750001 Cd\n0.499999 0.499999 0.499999 Au\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
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"elements": [
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"density": 10.584151614543314,
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"volume": 85.72773142793335,
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"formula_full": "Ca1 Cd1 Au2",
"formula_reduced": "CaCdAu2",
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"spacegroup": 225
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{
"id": "jvasp-20066",
"created_at": "2022-09-04T14:35:58.829081Z",
"updated_at": "2022-09-04T14:35:58.829101Z",
"structure_string": "Ca1 Cd1\n1.0\n3.800561 0.000000 0.000000\n-0.000000 3.800561 0.000000\n-0.000000 -0.000000 3.800561\nCa Cd\n1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Cd\n",
"nsites": 2,
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"elements": [
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"chemical_system": "Ca-Cd",
"density": 4.612586158868807,
"density_atomic": 0.036432323808189504,
"volume": 54.89630610799596,
"volume_molar": 16.529664129319972,
"formula_full": "Ca1 Cd1",
"formula_reduced": "CaCd",
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},
{
"id": "jvasp-117971",
"created_at": "2022-09-04T14:38:52.226270Z",
"updated_at": "2022-09-04T14:38:52.226284Z",
"structure_string": "Ca1 C3\n1.0\n4.731413 -0.541143 -0.035440\n-2.389266 -2.967442 0.128146\n-0.020834 3.120038 -3.609384\nCa C\n1 3\ndirect\n0.992215 0.967511 -0.065326 Ca\n0.285304 0.054409 0.521664 C\n0.402765 0.877619 0.639001 C\n0.285278 0.465883 0.639155 C\n",
"nsites": 4,
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"elements": [
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"density": 2.35267195556819,
"density_atomic": 0.07446119074042633,
"volume": 53.71925912310623,
"volume_molar": 8.087623499056496,
"formula_full": "Ca1 C3",
"formula_reduced": "CaC3",
"formula_anonymous": "AB3",
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"spacegroup": 155
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{
"id": "jvasp-117965",
"created_at": "2022-09-04T14:38:30.036507Z",
"updated_at": "2022-09-04T14:38:30.036532Z",
"structure_string": "Ca1 C2\n1.0\n6.552533 -0.289124 -0.771441\n1.657417 -3.723034 -0.126232\n2.860314 -0.616423 -2.349916\nCa C\n1 2\ndirect\n0.036222 0.192383 0.590724 Ca\n0.665352 0.565344 0.441910 C\n0.407109 0.819356 0.739514 C\n",
"nsites": 3,
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"elements": [
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"density": 2.2006008464864806,
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"volume": 48.368407208223786,
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"formula_full": "Ca1 C2",
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"spacegroup": 12
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{
"id": "jvasp-117966",
"created_at": "2022-09-04T14:38:48.937881Z",
"updated_at": "2022-09-04T14:38:48.937901Z",
"structure_string": "Ca1 C2\n1.0\n5.017428 0.000000 0.000000\n0.000000 3.635789 0.000000\n0.000000 0.000000 2.680290\nCa C\n1 2\ndirect\n0.466666 0.000000 0.000000 Ca\n-0.033333 0.000000 0.752338 C\n-0.033333 0.000000 0.247661 C\n",
"nsites": 3,
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"elements": [
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"chemical_system": "C-Ca",
"density": 2.1769149170183724,
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"volume": 48.89467981201845,
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"formula_full": "Ca1 C2",
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"spacegroup": 47
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{
"id": "jvasp-117962",
"created_at": "2022-09-04T14:38:50.468169Z",
"updated_at": "2022-09-04T14:38:50.468196Z",
"structure_string": "Ca1 C2\n1.0\n4.310725 0.000000 -0.328058\n0.000000 4.392616 0.000000\n-0.377235 0.000000 3.692689\nCa C\n1 2\ndirect\n0.466682 0.000000 -0.200009 Ca\n-0.145058 0.000000 -0.612842 C\n0.078376 0.000000 0.212851 C\n",
"nsites": 3,
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"elements": [
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"volume": 69.37878611458605,
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"formula_full": "Ca1 C2",
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"spacegroup": 10
},
{
"id": "jvasp-8004",
"created_at": "2022-09-04T14:37:01.439400Z",
"updated_at": "2022-09-04T14:37:01.439429Z",
"structure_string": "Ca1 C2\n1.0\n3.422761 0.000000 -1.778490\n-0.924116 3.295649 -1.778490\n0.008498 0.011209 4.199206\nCa C\n1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.598340 0.598341 0.196681 C\n0.401659 0.401660 0.803320 C\n",
"nsites": 3,
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"elements": [
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"density": 2.2406239565545807,
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"volume": 47.504427297694654,
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{
"id": "jvasp-36373",
"created_at": "2022-09-04T14:37:18.552688Z",
"updated_at": "2022-09-04T14:37:18.552719Z",
"structure_string": "Ca1 C2\n1.0\n2.398884 1.384997 2.152067\n-2.398884 1.384997 2.152067\n0.000000 -2.769993 2.152067\nCa C\n1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.597624 0.597624 0.597622 C\n0.402379 0.402379 0.402377 C\n",
"nsites": 3,
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"elements": [
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"volume": 42.90076281354281,
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"formula_full": "Ca1 C2",
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"spacegroup": 166
},
{
"id": "jvasp-36375",
"created_at": "2022-09-04T14:37:14.292514Z",
"updated_at": "2022-09-04T14:37:14.292538Z",
"structure_string": "Ca1 C2\n1.0\n1.382678 -2.394868 -0.000000\n1.382678 2.394868 0.000000\n0.000000 -0.000000 4.194984\nCa C\n1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.333334 0.666668 0.500000 C\n0.666668 0.333334 0.500000 C\n",
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},
{
"id": "jvasp-1468",
"created_at": "2022-09-04T14:36:32.071339Z",
"updated_at": "2022-09-04T14:36:32.071363Z",
"structure_string": "Ca1 C1 N2\n1.0\n3.474155 0.016571 4.148892\n1.519129 3.124464 4.148892\n0.026343 0.016571 5.411319\nCa C N\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500001 0.499999 0.500000 C\n0.417390 0.417388 0.417389 N\n0.582612 0.582610 0.582611 N\n",
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