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{
"id": "jvasp-2661",
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"updated_at": "2022-09-04T14:36:34.390691Z",
"structure_string": "Al2 Hg1 S4\n1.0\n5.040914 -0.000000 -2.377590\n-1.121410 4.914595 -2.377590\n-0.025778 -0.032322 6.477960\nAl Hg S\n2 1 4\ndirect\n0.250000 0.750001 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.000000 Hg\n0.865948 0.861013 0.275275 S\n0.409327 0.414264 0.275275 S\n0.138988 0.590674 0.724725 S\n0.585736 0.134052 0.724725 S\n",
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{
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"structure_string": "Al4 Hg2 S8\n1.0\n6.361134 -0.000000 3.672602\n2.120378 5.997335 3.672602\n0.000000 -0.000000 7.345205\nAl Hg S\n4 2 8\ndirect\n0.125000 0.625000 0.624999 Al\n0.625000 0.125000 0.625000 Al\n0.625000 0.625000 0.125000 Al\n0.625000 0.625000 0.624999 Al\n0.250000 0.250000 0.250000 Hg\n0.000000 0.000000 0.000000 Hg\n0.828640 0.390453 0.390453 S\n0.390454 0.828640 0.390453 S\n0.390453 0.390453 0.828640 S\n0.390453 0.390453 0.390453 S\n0.421360 0.859546 0.859546 S\n0.859546 0.421359 0.859546 S\n0.859547 0.859546 0.421359 S\n0.859547 0.859546 0.859546 S\n",
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{
"id": "jvasp-80209",
"created_at": "2022-09-04T14:37:06.769160Z",
"updated_at": "2022-09-04T14:37:06.769174Z",
"structure_string": "Sc2 Al1 Hg1\n1.0\n-10.162927 0.000000 -5.867569\n-6.605436 0.208367 -0.294187\n-5.687679 2.804174 -1.883788\nSc Al Hg\n2 1 1\ndirect\n0.747827 0.000000 -0.000000 Sc\n0.252173 0.000000 -0.000000 Sc\n0.000000 0.000000 0.000000 Al\n0.500000 0.000000 -0.000000 Hg\n",
"nsites": 4,
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"density": 5.416269013012284,
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"spacegroup": 71
},
{
"id": "jvasp-2205",
"created_at": "2022-09-04T14:36:52.221947Z",
"updated_at": "2022-09-04T14:36:52.221975Z",
"structure_string": "Al2 Hg1 Se4\n1.0\n5.259263 0.000000 -2.467332\n-1.157525 5.130301 -2.467332\n-0.011502 -0.014386 6.814363\nAl Hg Se\n2 1 4\ndirect\n0.250001 0.750000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.000000 Hg\n0.125499 0.137045 0.719984 Se\n0.594486 0.582938 0.719984 Se\n0.862954 0.405514 0.280016 Se\n0.417062 0.874501 0.280016 Se\n",
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"density": 5.161942175140547,
"density_atomic": 0.03814941053617281,
"volume": 183.48907366111686,
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"formula_full": "Al2 Hg1 Se4",
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"spacegroup": 82
},
{
"id": "jvasp-61120",
"created_at": "2022-09-04T14:35:44.167435Z",
"updated_at": "2022-09-04T14:35:44.167445Z",
"structure_string": "Al4 Hg2 Se8\n1.0\n0.000000 5.483360 5.483360\n5.483360 -0.000000 5.483360\n5.483360 5.483360 0.000000\nAl Hg Se\n4 2 8\ndirect\n0.500000 0.500000 0.500000 Al\n0.000000 0.500000 0.000000 Al\n0.500000 0.500000 0.000000 Al\n0.500000 0.000000 0.000000 Al\n0.875000 0.875000 0.375000 Hg\n0.125000 0.125000 0.625000 Hg\n0.735527 0.735527 0.793418 Se\n0.293418 0.735527 0.235527 Se\n0.735527 0.735527 0.235527 Se\n0.735527 0.293418 0.235527 Se\n0.706582 0.264473 0.764473 Se\n0.264473 0.264473 0.206582 Se\n0.264473 0.264473 0.764473 Se\n0.264473 0.706582 0.764473 Se\n",
"nsites": 14,
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"elements": [
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"density": 5.744907818120834,
"density_atomic": 0.042457826804306105,
"volume": 329.73896814191414,
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"formula_full": "Al4 Hg2 Se8",
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"spacegroup": 227
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{
"id": "jvasp-2673",
"created_at": "2022-09-04T14:36:47.948473Z",
"updated_at": "2022-09-04T14:36:47.948492Z",
"structure_string": "Al2 Hg1 Te4\n1.0\n5.685128 -0.000000 -2.525291\n-1.121716 5.573368 -2.525292\n-0.110837 -0.135367 7.412516\nAl Hg Te\n2 1 4\ndirect\n0.249999 0.750000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.000000 Hg\n0.861367 0.886967 0.279134 Te\n0.417766 0.392168 0.279133 Te\n0.113033 0.582233 0.720867 Te\n0.607832 0.138632 0.720867 Te\n",
"nsites": 7,
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"volume": 230.98104962970285,
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"spacegroup": 82
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{
"id": "jvasp-104629",
"created_at": "2022-09-04T14:36:48.285133Z",
"updated_at": "2022-09-04T14:36:48.285158Z",
"structure_string": "Yb1 Al1 Hg2\n1.0\n4.333884 -0.000000 2.502169\n1.444628 4.086025 2.502169\n-0.000000 -0.000000 5.004338\nYb Al Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.499999 0.500001 Al\n0.250000 0.250000 0.250000 Hg\n0.750000 0.749999 0.750001 Hg\n",
"nsites": 4,
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"elements": [
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"Al",
"Hg"
],
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"density": 11.265338439641447,
"density_atomic": 0.045137245639114275,
"volume": 88.61861071411383,
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"formula_full": "Yb1 Al1 Hg2",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
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{
"id": "jvasp-93261",
"created_at": "2022-09-04T14:35:48.596707Z",
"updated_at": "2022-09-04T14:35:48.596731Z",
"structure_string": "K1 Al1 H3\n1.0\n3.980839 0.000000 -0.000000\n0.000000 3.980839 0.000000\n-0.000000 -0.000000 3.980839\nK Al H\n1 1 3\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.000000 H\n0.000000 0.000000 0.500000 H\n0.500000 0.000000 0.000000 H\n",
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"formula_anonymous": "ABC3",
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"spacegroup": 221
},
{
"id": "jvasp-85716",
"created_at": "2022-09-04T14:37:51.522295Z",
"updated_at": "2022-09-04T14:37:51.522320Z",
"structure_string": "K2 Al2 H8\n1.0\n-2.672432 2.672432 6.278286\n2.672432 -2.672432 6.278286\n2.672432 2.672432 -6.278286\nK Al H\n2 2 8\ndirect\n0.375000 0.125000 0.250000 K\n0.625000 0.875000 0.749999 K\n0.875000 0.625000 0.250000 Al\n0.125000 0.374999 0.749999 Al\n0.182177 0.599866 0.385827 H\n0.714041 0.796351 0.114172 H\n0.296351 0.682177 0.082310 H\n0.099867 0.214040 0.417689 H\n0.817823 0.400133 0.614172 H\n0.285959 0.203649 0.885827 H\n0.703649 0.317823 0.917689 H\n0.900133 0.785960 0.582310 H\n",
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{
"id": "jvasp-55711",
"created_at": "2022-09-04T14:38:11.487150Z",
"updated_at": "2022-09-04T14:38:11.487171Z",
"structure_string": "K6 Al2 H12\n1.0\n0.000000 6.014527 0.007093\n5.966172 0.000000 0.000000\n0.000000 -5.920619 -8.478631\nK Al H\n6 2 12\ndirect\n0.500000 0.500000 0.000000 K\n0.500000 0.000000 0.500000 K\n0.756791 0.977766 0.252377 K\n0.243209 0.477767 0.247623 K\n0.243209 0.022233 0.747623 K\n0.756791 0.522233 0.752377 K\n-0.000000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.267433 0.488150 0.704630 H\n0.732568 0.988150 0.795370 H\n0.198234 0.679219 0.466476 H\n0.801766 0.179219 0.033524 H\n0.801766 0.320780 0.533524 H\n0.139085 0.237653 0.966075 H\n0.860915 0.762347 0.033925 H\n0.139085 0.262347 0.466075 H\n0.267433 0.011849 0.204630 H\n0.860915 0.737653 0.533925 H\n0.198234 0.820780 0.966476 H\n0.732568 0.511849 0.295370 H\n",
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{
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"structure_string": "K4 Al4 H16\n1.0\n5.733252 0.000000 0.000000\n0.000000 7.256121 0.000000\n0.000000 0.000000 8.702013\nK Al H\n4 4 16\ndirect\n0.750000 0.835691 0.824934 K\n0.250000 0.164309 0.175066 K\n0.250000 0.335691 0.675066 K\n0.750000 0.664309 0.324934 K\n0.250000 0.818825 0.570288 Al\n0.750000 0.181175 0.429712 Al\n0.750000 0.318825 0.929712 Al\n0.250000 0.681175 0.070288 Al\n0.250000 0.570533 0.906979 H\n0.750000 0.429467 0.093021 H\n0.250000 0.541290 0.217588 H\n0.750000 0.458710 0.782412 H\n0.750000 0.041290 0.282412 H\n0.250000 0.958710 0.717587 H\n0.480652 0.685848 0.581144 H\n0.519347 0.314152 0.418855 H\n0.519347 0.185848 0.918855 H\n0.019348 0.814152 0.081145 H\n0.250000 0.929467 0.406979 H\n0.019348 0.685848 0.581144 H\n0.480652 0.814152 0.081145 H\n0.980652 0.185848 0.918855 H\n0.980652 0.314152 0.418855 H\n0.750000 0.070533 0.593020 H\n",
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{
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}