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{
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{
"id": "jvasp-29566",
"created_at": "2022-09-04T14:37:19.494670Z",
"updated_at": "2022-09-04T14:37:19.494686Z",
"structure_string": "Hg8 I16\n1.0\n8.912005 0.000000 -0.000000\n0.000000 8.912005 -0.000000\n-0.000000 -0.000000 12.391895\nHg I\n8 16\ndirect\n-0.001797 0.750000 0.122770 Hg\n0.250000 0.001797 0.377230 Hg\n0.498203 0.250000 0.877230 Hg\n0.250000 0.498203 0.377230 Hg\n0.501797 0.750000 0.122770 Hg\n0.750000 -0.001797 0.622770 Hg\n0.750000 0.501797 0.622770 Hg\n0.001797 0.250000 0.877230 Hg\n0.516636 0.016636 0.250000 I\n0.983364 0.483364 0.250000 I\n0.750000 0.750000 0.476432 I\n0.250000 0.750000 0.980632 I\n0.483364 0.983364 0.750000 I\n0.250000 0.750000 0.519367 I\n0.250000 0.250000 0.023567 I\n0.483364 0.516636 0.750000 I\n0.016636 0.516636 0.750000 I\n0.750000 0.250000 0.480632 I\n0.516636 0.483364 0.250000 I\n0.983364 0.016636 0.250000 I\n0.250000 0.250000 0.523567 I\n0.750000 0.250000 0.019367 I\n0.016636 0.983364 0.750000 I\n0.750000 0.750000 0.976432 I\n",
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{
"id": "jvasp-1918",
"created_at": "2022-09-04T14:36:18.030545Z",
"updated_at": "2022-09-04T14:36:18.030558Z",
"structure_string": "Hg2 I2\n1.0\n4.609490 -0.000000 -1.798546\n-0.701762 4.555757 -1.798546\n0.030019 0.034997 6.883037\nHg I\n2 2\ndirect\n0.887738 0.887738 0.775473 Hg\n0.112263 0.112263 0.224527 Hg\n0.651285 0.651285 0.302568 I\n0.348716 0.348716 0.697432 I\n",
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"spacegroup": 139
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{
"id": "jvasp-60703",
"created_at": "2022-09-04T14:35:50.357945Z",
"updated_at": "2022-09-04T14:35:50.357971Z",
"structure_string": "Hg8 I16\n1.0\n8.443064 -0.000000 -2.823481\n-0.944212 8.390101 -2.823481\n-0.038137 -0.042670 13.921361\nHg I\n8 16\ndirect\n0.185319 0.689157 0.378315 Hg\n0.189157 0.685319 0.878315 Hg\n0.692995 0.689157 0.378315 Hg\n0.307004 0.310843 0.621685 Hg\n0.810843 0.314681 0.121685 Hg\n0.189157 0.192996 0.878315 Hg\n0.814680 0.310843 0.621685 Hg\n0.810843 0.807004 0.121685 Hg\n0.489298 0.239299 0.478598 I\n0.609572 0.359572 0.250000 I\n0.738159 0.488159 0.976318 I\n0.739298 0.989299 0.978598 I\n0.140428 0.890428 0.250000 I\n0.609572 0.890428 0.250000 I\n0.260701 0.010701 0.021402 I\n0.988159 0.238159 0.476318 I\n0.140428 0.359572 0.250000 I\n0.390427 0.640428 0.750000 I\n0.261841 0.511841 0.023682 I\n0.390427 0.109572 0.750000 I\n0.011841 0.761841 0.523682 I\n0.510701 0.760701 0.521402 I\n0.859572 0.109572 0.750000 I\n0.859572 0.640428 0.750000 I\n",
"nsites": 24,
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"density": 6.133724676968905,
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"volume": 984.1291957884266,
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"formula_full": "Hg8 I16",
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"spacegroup": 141
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{
"id": "jvasp-113640",
"created_at": "2022-09-04T14:38:50.634995Z",
"updated_at": "2022-09-04T14:38:50.635029Z",
"structure_string": "Hg1 I3\n1.0\n7.590675 0.061672 -0.033160\n-1.634631 -3.074208 -0.678019\n2.068556 -1.336448 -8.184062\nHg I\n1 3\ndirect\n0.981304 0.058481 0.943388 Hg\n0.374157 0.844731 0.156764 I\n0.567700 0.231916 0.770320 I\n0.757536 0.609241 0.395486 I\n",
"nsites": 4,
"nelements": 2,
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"density": 5.277488703331547,
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"formula_full": "Hg1 I3",
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"spacegroup": 44
},
{
"id": "jvasp-113637",
"created_at": "2022-09-04T14:38:50.622769Z",
"updated_at": "2022-09-04T14:38:50.622799Z",
"structure_string": "Hg1 I1\n1.0\n4.263607 0.000000 0.000000\n0.000000 4.263607 -0.000000\n0.000000 -0.000000 5.690428\nHg I\n1 1\ndirect\n0.000000 0.000000 0.750012 Hg\n0.000000 0.000000 0.249988 I\n",
"nsites": 2,
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"elements": [
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"density": 5.257191568049743,
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"spacegroup": 123
},
{
"id": "jvasp-114304",
"created_at": "2022-09-04T14:38:40.162833Z",
"updated_at": "2022-09-04T14:38:40.162860Z",
"structure_string": "Hg1 I1\n1.0\n4.411338 0.000000 0.000000\n0.000000 4.411338 0.000000\n0.000000 0.000000 4.077878\nHg I\n1 1\ndirect\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.000000 I\n",
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"elements": [
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"volume": 79.35511012293509,
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"formula_full": "Hg1 I1",
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"spacegroup": 123
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{
"id": "jvasp-8579",
"created_at": "2022-09-04T14:37:03.919153Z",
"updated_at": "2022-09-04T14:37:03.919179Z",
"structure_string": "Hg2 I4\n1.0\n4.443486 -0.090272 0.000000\n-1.984697 3.976644 0.000000\n-0.000000 -0.000000 13.735335\nHg I\n2 4\ndirect\n0.650149 0.349851 0.501258 Hg\n0.349851 0.650148 0.001258 Hg\n0.602462 0.397539 0.137792 I\n0.397539 0.602461 0.637792 I\n0.097454 0.902544 0.864250 I\n0.902546 0.097455 0.364250 I\n",
"nsites": 6,
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"density": 6.281487824760675,
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"volume": 240.24473587843903,
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"formula_full": "Hg2 I4",
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"spacegroup": 36
},
{
"id": "jvasp-5224",
"created_at": "2022-09-04T14:36:31.183613Z",
"updated_at": "2022-09-04T14:36:31.183639Z",
"structure_string": "Hg2 I4\n1.0\n4.444868 0.000000 0.000000\n0.000000 4.444868 0.000000\n0.000000 0.000000 12.472781\nHg I\n2 4\ndirect\n0.000000 0.000000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n0.500000 0.000000 0.143783 I\n0.500000 0.000000 0.643783 I\n0.000000 0.500000 0.356217 I\n0.000000 0.500000 0.856217 I\n",
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"formula_full": "Hg2 I4",
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"spacegroup": 137
},
{
"id": "jvasp-113641",
"created_at": "2022-09-04T14:38:47.946431Z",
"updated_at": "2022-09-04T14:38:47.946453Z",
"structure_string": "Hg2 I1\n1.0\n7.162818 0.971782 0.769809\n-4.149952 -4.063809 0.002822\n-1.032671 1.067162 -4.129166\nHg I\n2 1\ndirect\n0.881501 0.176167 -0.020656 Hg\n0.214588 0.777986 0.646105 Hg\n0.548267 0.477292 0.312857 I\n",
"nsites": 3,
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"elements": [
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"I"
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"density": 9.05177158934719,
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"spacegroup": 164
},
{
"id": "jvasp-113639",
"created_at": "2022-09-04T14:38:46.284937Z",
"updated_at": "2022-09-04T14:38:46.284957Z",
"structure_string": "Hg1 I1\n1.0\n4.625549 0.288706 0.042986\n-2.205856 -4.053182 0.386697\n1.481264 -2.176785 -3.815865\nHg I\n1 1\ndirect\n0.979304 0.977440 0.010730 Hg\n0.979247 0.477460 0.510802 I\n",
"nsites": 2,
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},
{
"id": "jvasp-37649",
"created_at": "2022-09-04T14:38:00.627661Z",
"updated_at": "2022-09-04T14:38:00.627670Z",
"structure_string": "Hg3 Ir1\n1.0\n-2.067994 2.067994 4.612254\n2.067994 -2.067994 4.612254\n2.067994 2.067994 -4.612254\nHg Ir\n3 1\ndirect\n0.749999 0.250000 0.499998 Hg\n0.250000 0.749999 0.499998 Hg\n0.500000 0.500000 0.000000 Hg\n0.000000 0.000000 0.000000 Ir\n",
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"density": 16.710549567027847,
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"volume": 78.89904677186712,
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{
"id": "jvasp-33037",
"created_at": "2022-09-04T14:37:35.531348Z",
"updated_at": "2022-09-04T14:37:35.531374Z",
"structure_string": "Hg4 N12\n1.0\n3.590543 -0.021567 0.000000\n-1.405964 5.882333 0.000000\n0.000000 0.000000 12.669232\nHg N\n4 12\ndirect\n0.893519 0.796829 0.539089 Hg\n0.393519 0.296829 0.960911 Hg\n0.106481 0.203170 0.460911 Hg\n0.606481 0.703170 0.039089 Hg\n0.696410 0.448718 0.601720 N\n0.206061 0.592065 0.310420 N\n0.803589 0.051281 0.101720 N\n0.617201 0.141789 0.272809 N\n0.882798 0.358210 0.772809 N\n0.117202 0.641789 0.227191 N\n0.293940 0.907934 0.810420 N\n0.706060 0.092065 0.189579 N\n0.303590 0.551281 0.398280 N\n0.382799 0.858210 0.727191 N\n0.793939 0.407934 0.689579 N\n0.196411 0.948718 0.898280 N\n",
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}