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{
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{
"id": "jvasp-10463",
"created_at": "2022-09-04T14:37:15.606894Z",
"updated_at": "2022-09-04T14:37:15.606913Z",
"structure_string": "Ba10 Sb8\n1.0\n8.104133 -0.000000 -4.118959\n-0.000000 9.133181 -0.000000\n-0.011485 0.000000 10.009406\nBa Sb\n10 8\ndirect\n0.500000 0.500000 -0.000000 Ba\n0.475577 0.834081 0.290909 Ba\n0.684668 0.665919 0.709092 Ba\n0.975576 0.665919 0.290909 Ba\n0.184668 0.834081 0.709092 Ba\n0.524424 0.165919 0.709092 Ba\n0.315332 0.334081 0.290909 Ba\n0.000000 0.000000 0.000000 Ba\n0.024424 0.334081 0.709092 Ba\n0.815332 0.165919 0.290909 Ba\n0.699561 0.500000 0.399124 Sb\n0.800439 0.000000 0.600877 Sb\n0.300439 0.500000 0.600877 Sb\n0.199561 0.000000 0.399124 Sb\n0.114901 0.614800 -0.000000 Sb\n0.614901 0.885200 -0.000000 Sb\n0.385098 0.114800 -0.000000 Sb\n0.885098 0.385200 -0.000000 Sb\n",
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{
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"structure_string": "In2 Sb2\n1.0\n4.658876 0.000000 0.000000\n-2.329438 4.034398 0.000000\n0.000000 0.000000 7.682421\nIn Sb\n2 2\ndirect\n0.666701 0.333403 0.488155 In\n0.333299 0.666598 0.988155 In\n0.666650 0.333300 0.861845 Sb\n0.333350 0.666701 0.361845 Sb\n",
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{
"id": "jvasp-36367",
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"updated_at": "2022-09-04T14:37:15.839224Z",
"structure_string": "Re1 N1\n1.0\n1.398830 -2.422845 0.000000\n1.398830 2.422845 0.000000\n-0.000000 -0.000000 3.031706\nRe N\n1 1\ndirect\n0.000000 0.000000 0.000000 Re\n0.666667 0.333333 0.500001 N\n",
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"formula_full": "Re1 N1",
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{
"id": "jvasp-36666",
"created_at": "2022-09-04T14:37:32.554867Z",
"updated_at": "2022-09-04T14:37:32.554893Z",
"structure_string": "Zr2 Rh2\n1.0\n0.000000 3.290753 -0.002065\n4.658328 0.000000 0.000000\n0.000000 -0.002948 -4.658525\nZr Rh\n2 2\ndirect\n0.499998 0.250000 0.250007 Zr\n0.500000 0.750000 0.749991 Zr\n-0.000065 0.750000 0.250029 Rh\n0.000065 0.250000 0.749970 Rh\n",
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"spacegroup": 221
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{
"id": "jvasp-56051",
"created_at": "2022-09-04T14:37:19.460741Z",
"updated_at": "2022-09-04T14:37:19.460758Z",
"structure_string": "Ca12 N8\n1.0\n6.184494 -0.000000 0.000000\n-0.000000 6.327042 0.000000\n0.000000 0.000000 8.904084\nCa N\n12 8\ndirect\n0.606514 0.105277 0.847221 Ca\n0.893485 0.605277 0.652778 Ca\n0.106515 0.394723 0.347222 Ca\n0.393485 0.894723 0.152778 Ca\n0.044789 0.250000 0.000000 Ca\n0.393485 0.605277 0.847221 Ca\n0.606514 0.394723 0.152778 Ca\n0.893485 0.894723 0.347222 Ca\n0.106515 0.105277 0.652778 Ca\n0.455211 0.750000 0.500000 Ca\n0.955211 0.750000 0.000000 Ca\n0.544788 0.250000 0.500000 Ca\n0.247283 0.968392 0.887585 N\n0.752716 0.031607 0.112414 N\n0.747283 0.531607 0.387585 N\n0.252717 0.031607 0.387585 N\n0.747283 0.968392 0.612414 N\n0.752716 0.468393 0.887585 N\n0.252717 0.468393 0.612414 N\n0.247283 0.531607 0.112414 N\n",
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"formula_full": "Ca12 N8",
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{
"id": "jvasp-59615",
"created_at": "2022-09-04T14:37:15.760508Z",
"updated_at": "2022-09-04T14:37:15.760526Z",
"structure_string": "Mn12 P4\n1.0\n4.192648 0.000000 1.488462\n2.096326 6.304891 0.744223\n-0.013036 0.000009 6.685801\nMn P\n12 4\ndirect\n0.341367 0.676073 0.616780 Mn\n0.041854 0.616780 0.323927 Mn\n0.982561 0.383220 0.676072 Mn\n0.634220 0.323927 0.383219 Mn\n0.930553 0.047184 0.607349 Mn\n0.462097 0.607350 0.952815 Mn\n0.022263 0.392650 0.047184 Mn\n0.585088 0.952816 0.392650 Mn\n0.132261 0.976879 0.186976 Mn\n0.680764 0.186977 0.023121 Mn\n0.890862 0.813023 0.976878 Mn\n0.296115 0.023121 0.813023 Mn\n0.203271 0.250347 0.330723 P\n0.466005 0.330723 0.749652 P\n0.546382 0.669277 0.250347 P\n0.784342 0.749653 0.669276 P\n",
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"volume": 176.85606237691886,
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"spacegroup": 82
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{
"id": "jvasp-1106",
"created_at": "2022-09-04T14:37:15.587169Z",
"updated_at": "2022-09-04T14:37:15.587196Z",
"structure_string": "Ag8 Te4\n1.0\n0.000000 8.001340 0.001150\n4.507263 0.000000 0.000000\n0.000000 -4.829759 -7.711779\nAg Te\n8 4\ndirect\n0.034015 0.117383 0.659399 Ag\n0.965985 0.617383 0.840601 Ag\n0.965985 0.882616 0.340601 Ag\n0.034015 0.382617 0.159399 Ag\n0.333235 0.854434 0.347168 Ag\n0.666765 0.354435 0.152832 Ag\n0.666765 0.145565 0.652832 Ag\n0.333235 0.645565 0.847168 Ag\n0.275814 0.141673 0.035321 Te\n0.724186 0.641673 0.464680 Te\n0.724186 0.858326 0.964680 Te\n0.275814 0.358327 0.535321 Te\n",
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"elements": [
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"density": 8.200452763952274,
"density_atomic": 0.0431509279447077,
"volume": 278.0936719455127,
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"formula_full": "Ag8 Te4",
"formula_reduced": "Ag2Te",
"formula_anonymous": "AB2",
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"spacegroup": 14
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{
"id": "jvasp-36645",
"created_at": "2022-09-04T14:37:19.477698Z",
"updated_at": "2022-09-04T14:37:19.477723Z",
"structure_string": "Tm2 Au2\n1.0\n-3.670375 -0.000000 0.000000\n-0.000000 -0.000000 -4.588913\n-1.835187 -5.401568 0.000000\nTm Au\n2 2\ndirect\n0.138729 0.749999 0.722542 Tm\n0.861273 0.250000 0.277458 Tm\n0.408628 0.749999 0.182745 Au\n0.591374 0.250000 0.817256 Au\n",
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"volume": 90.97878025629912,
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"formula_full": "Tm2 Au2",
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},
{
"id": "jvasp-78765",
"created_at": "2022-09-04T14:37:10.295743Z",
"updated_at": "2022-09-04T14:37:10.295769Z",
"structure_string": "Al1 Ni1\n1.0\n0.000000 -2.045717 -2.045717\n-0.000000 -2.045717 2.045717\n-2.891678 0.000000 0.000000\nAl Ni\n1 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.500001 0.500001 0.500000 Ni\n",
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{
"id": "jvasp-30633",
"created_at": "2022-09-04T14:37:26.883866Z",
"updated_at": "2022-09-04T14:37:26.883891Z",
"structure_string": "Mo1 O2\n1.0\n2.804543 0.000569 4.255763\n1.276599 2.497149 4.255763\n0.000930 0.000569 5.096761\nMo O\n1 2\ndirect\n0.500001 0.500000 0.499999 Mo\n0.753120 0.753119 0.753118 O\n0.246881 0.246879 0.246879 O\n",
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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-36110",
"created_at": "2022-09-04T14:37:32.563863Z",
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"structure_string": "Cd1 C1\n1.0\n2.582942 2.582942 -0.000000\n2.582942 0.000000 -2.582942\n0.000000 2.582942 -2.582942\nCd C\n1 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.749999 0.749999 0.749999 C\n",
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}