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{
"id": "jvasp-38399",
"created_at": "2022-09-04T14:38:05.505497Z",
"updated_at": "2022-09-04T14:38:05.505518Z",
"structure_string": "Pr2 Zn1 Hg1\n1.0\n0.000000 3.783938 3.783938\n3.783938 0.000000 3.783938\n3.783938 3.783938 -0.000000\nPr Zn Hg\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Pr\n0.750000 0.750000 0.750000 Zn\n0.250001 0.250001 0.250001 Hg\n",
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{
"id": "jvasp-30637",
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"updated_at": "2022-09-04T14:37:27.654729Z",
"structure_string": "Y1 Sn1 F5\n1.0\n4.054647 -0.000000 1.491060\n1.642757 5.623023 1.791287\n0.049163 0.103610 6.124752\nY Sn F\n1 1 5\ndirect\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Sn\n0.500001 0.806078 0.193922 F\n0.500000 0.193922 0.806078 F\n0.743028 0.256972 0.256972 F\n0.256972 0.743027 0.743028 F\n0.000000 0.500000 0.500000 F\n",
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{
"id": "jvasp-80770",
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"structure_string": "Li1 Cd2 Hg1\n1.0\n-11.817604 2.032418 -3.505817\n-8.078076 1.067683 0.340473\n-7.136524 3.730712 -1.290593\nLi Cd Hg\n1 2 1\ndirect\n0.000000 -0.000000 -0.000000 Li\n0.714719 0.023909 0.023887 Cd\n0.285281 -0.023910 -0.023885 Cd\n0.500000 -0.000001 0.000000 Hg\n",
"nsites": 4,
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{
"id": "jvasp-35902",
"created_at": "2022-09-04T14:37:33.048458Z",
"updated_at": "2022-09-04T14:37:33.048486Z",
"structure_string": "Ho2 Zn2 In2\n1.0\n2.330370 -4.036320 -0.000000\n2.330370 4.036320 0.000000\n0.000000 0.000000 7.105053\nHo Zn In\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Ho\n0.000000 0.000000 0.000000 Ho\n0.333333 0.666667 0.250000 Zn\n0.666667 0.333333 0.750000 Zn\n0.333333 0.666667 0.750000 In\n0.666667 0.333333 0.250000 In\n",
"nsites": 6,
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"volume": 133.66194858428207,
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"formula_full": "Ho2 Zn2 In2",
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"spacegroup": 194
},
{
"id": "jvasp-8056",
"created_at": "2022-09-04T14:37:09.515515Z",
"updated_at": "2022-09-04T14:37:09.515541Z",
"structure_string": "K1 As1 F6\n1.0\n4.787758 -0.012439 -0.641784\n-0.731918 4.731498 -0.641784\n-0.010690 -0.012439 4.830569\nK As F\n1 1 6\ndirect\n0.500000 0.500000 0.500001 K\n0.000000 0.000000 0.000000 As\n0.788661 0.076150 0.698287 F\n0.076150 0.698286 0.788662 F\n0.301714 0.211339 0.923850 F\n0.923850 0.301714 0.211340 F\n0.211339 0.923850 0.301715 F\n0.698286 0.788661 0.076152 F\n",
"nsites": 8,
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"elements": [
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"density": 3.4638040522876725,
"density_atomic": 0.0731879702579474,
"volume": 109.30758117494437,
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"formula_full": "K1 As1 F6",
"formula_reduced": "KAsF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 148
},
{
"id": "jvasp-103572",
"created_at": "2022-09-04T14:37:09.498124Z",
"updated_at": "2022-09-04T14:37:09.498148Z",
"structure_string": "Na2 Hg1 As1 Br6\n1.0\n6.770490 -0.000000 3.908944\n2.256830 6.383279 3.908944\n-0.000000 -0.000000 7.817889\nNa Hg As Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 As\n0.759321 0.240678 0.240678 Br\n0.240678 0.240679 0.759321 Br\n0.240678 0.759321 0.759320 Br\n0.240678 0.759322 0.240679 Br\n0.759321 0.240678 0.759321 Br\n0.759321 0.759322 0.240677 Br\n",
"nsites": 10,
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"elements": [
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"volume": 337.8729532559421,
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"formula_full": "Na2 Hg1 As1 Br6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
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{
"id": "jvasp-42014",
"created_at": "2022-09-04T14:37:31.934844Z",
"updated_at": "2022-09-04T14:37:31.934864Z",
"structure_string": "Sr2 Tl1 Cd1\n1.0\n0.000000 4.033015 4.033015\n4.033015 0.000000 4.033015\n4.033015 4.033015 -0.000000\nSr Tl Cd\n2 1 1\ndirect\n0.500001 0.500001 0.500001 Sr\n0.000000 0.000000 0.000000 Sr\n0.750001 0.750001 0.750001 Tl\n0.250001 0.250001 0.250001 Cd\n",
"nsites": 4,
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"elements": [
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"density_atomic": 0.030488810697998473,
"volume": 131.19567173745455,
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"formula_full": "Sr2 Tl1 Cd1",
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{
"id": "jvasp-40430",
"created_at": "2022-09-04T14:37:27.666864Z",
"updated_at": "2022-09-04T14:37:27.666878Z",
"structure_string": "K4 Sr2 Cd2 Sb4\n1.0\n4.955223 0.000000 0.000000\n0.000000 8.232352 0.000000\n0.000000 0.000000 9.894315\nK Sr Cd Sb\n4 2 2 4\ndirect\n0.500000 0.971595 0.423893 K\n0.000000 0.656951 0.336213 K\n0.500000 0.471596 0.576107 K\n0.000000 0.156951 0.663787 K\n0.000000 0.506786 0.953451 Sr\n0.000000 0.006787 0.046550 Sr\n0.500000 0.849840 0.822002 Cd\n0.500000 0.349840 0.177999 Cd\n0.000000 0.747701 0.680803 Sb\n0.500000 0.721605 0.110346 Sb\n0.000000 0.247701 0.319198 Sb\n0.500000 0.221605 0.889654 Sb\n",
"nsites": 12,
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"elements": [
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"Sb"
],
"chemical_system": "Cd-K-Sb-Sr",
"density": 4.293057298017025,
"density_atomic": 0.029730922018621465,
"volume": 403.6201767467555,
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"formula_full": "K4 Sr2 Cd2 Sb4",
"formula_reduced": "K2SrCdSb2",
"formula_anonymous": "ABC2D2",
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"spacegroup": 26
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{
"id": "jvasp-41014",
"created_at": "2022-09-04T14:37:33.737748Z",
"updated_at": "2022-09-04T14:37:33.737770Z",
"structure_string": "Ba1 Hg2 Pb1\n1.0\n0.000000 3.952445 3.952445\n3.952445 -0.000000 3.952445\n3.952445 3.952445 -0.000000\nBa Hg Pb\n1 2 1\ndirect\n0.249999 0.249999 0.249999 Ba\n0.000000 0.000000 0.000000 Hg\n0.499998 0.499998 0.499998 Hg\n0.749999 0.749999 0.749999 Pb\n",
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"volume": 123.48878038342504,
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{
"id": "jvasp-57174",
"created_at": "2022-09-04T14:37:33.806856Z",
"updated_at": "2022-09-04T14:37:33.806876Z",
"structure_string": "Na4 Ni4 F12\n1.0\n5.346565 0.000000 0.000000\n0.000000 5.576620 0.000000\n0.000000 0.000000 7.686630\nNa Ni F\n4 4 12\ndirect\n0.018534 0.935800 0.750000 Na\n0.518534 0.564200 0.250000 Na\n0.481467 0.435800 0.750000 Na\n0.981467 0.064200 0.250000 Na\n0.500000 0.000000 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n0.000000 0.500000 0.000000 Ni\n0.500000 0.000000 0.000000 Ni\n0.610476 0.038486 0.750000 F\n0.110475 0.461514 0.250000 F\n0.692962 0.301950 0.056907 F\n0.192962 0.198050 0.943093 F\n0.807039 0.801950 0.443093 F\n0.192962 0.198050 0.556907 F\n0.307039 0.698050 0.943093 F\n0.807039 0.801950 0.056907 F\n0.389525 0.961514 0.250000 F\n0.692962 0.301950 0.443093 F\n0.307039 0.698050 0.556907 F\n0.889525 0.538486 0.750000 F\n",
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{
"id": "jvasp-85171",
"created_at": "2022-09-04T14:37:16.229684Z",
"updated_at": "2022-09-04T14:37:16.229702Z",
"structure_string": "Eu2 Cd2 Sn2\n1.0\n4.966276 0.000000 0.000000\n-2.483139 4.300847 0.000000\n0.000000 0.000000 7.157742\nEu Cd Sn\n2 2 2\ndirect\n0.000003 0.000006 0.746370 Eu\n-0.000003 -0.000006 0.246371 Eu\n0.666669 0.333337 0.512051 Cd\n0.333332 0.666664 0.012051 Cd\n0.666669 0.333336 0.988579 Sn\n0.333332 0.666664 0.488579 Sn\n",
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{
"id": "jvasp-57785",
"created_at": "2022-09-04T14:37:27.828116Z",
"updated_at": "2022-09-04T14:37:27.828142Z",
"structure_string": "Rb2 Al2 F8\n1.0\n5.137003 0.000000 0.000000\n0.000000 5.137003 -0.000000\n0.000000 -0.000000 6.320860\nRb Al F\n2 2 8\ndirect\n0.500000 0.000000 0.500000 Rb\n0.000000 0.500000 0.500000 Rb\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.282180 F\n0.000000 0.000000 0.717820 F\n0.500000 0.500000 0.717820 F\n0.000000 0.000000 0.282180 F\n0.200058 0.700058 0.000000 F\n0.299942 0.200058 0.000000 F\n0.700058 0.799941 0.000000 F\n0.799941 0.299942 0.000000 F\n",
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