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{
"id": "jvasp-47039",
"created_at": "2022-09-04T14:38:01.678964Z",
"updated_at": "2022-09-04T14:38:01.678980Z",
"structure_string": "Li3 Mn3 Co1 O8\n1.0\n1.601850 -2.476174 -4.827265\n5.054827 1.492465 -2.402696\n-0.000000 -2.949130 4.827265\nLi Mn Co O\n3 3 1 8\ndirect\n0.000001 0.500000 0.000000 Li\n0.000001 0.500000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.000000 -0.000000 0.500000 Mn\n0.499999 0.000000 -0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Co\n0.256980 0.217347 0.237163 O\n0.257426 0.227724 0.742574 O\n0.762836 0.217347 0.237163 O\n0.762837 0.217347 0.743020 O\n0.237164 0.782653 0.256980 O\n0.237164 0.782653 0.762837 O\n0.742575 0.772276 0.257426 O\n0.743021 0.782653 0.762837 O\n",
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{
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"structure_string": "Pu4 Pd4\n1.0\n4.792238 -0.000000 0.000000\n-0.000000 4.793126 0.000000\n0.000000 0.000000 6.780208\nPu Pd\n4 4\ndirect\n0.750000 0.999875 0.124996 Pu\n0.250000 0.000126 0.875004 Pu\n0.250000 0.500126 0.624996 Pu\n0.750000 0.499875 0.375004 Pu\n0.750000 0.999884 0.625013 Pd\n0.250000 0.000116 0.374987 Pd\n0.250000 0.500117 0.125013 Pd\n0.750000 0.499884 0.874987 Pd\n",
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{
"id": "jvasp-12958",
"created_at": "2022-09-04T14:36:50.743663Z",
"updated_at": "2022-09-04T14:36:50.743674Z",
"structure_string": "Rb1 Cr5 Se8\n1.0\n3.620045 0.000000 -0.699974\n-0.433432 8.758608 -2.241573\n-0.017919 0.015551 9.618175\nRb Cr Se\n1 5 8\ndirect\n0.500001 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Cr\n0.296016 0.664538 0.592030 Cr\n0.658289 0.977396 0.316575 Cr\n0.341713 0.022603 0.683426 Cr\n0.703986 0.335462 0.407971 Cr\n0.238233 0.157248 0.476466 Se\n0.425181 0.844462 0.850361 Se\n0.574821 0.155538 0.149640 Se\n0.913249 0.173889 0.826498 Se\n0.086752 0.826111 0.173504 Se\n0.829955 0.508194 0.659908 Se\n0.170047 0.491806 0.340094 Se\n0.761769 0.842752 0.523536 Se\n",
"nsites": 14,
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"elements": [
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],
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"density": 5.3202124956815,
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"volume": 304.9802459107605,
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"formula_full": "Rb1 Cr5 Se8",
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"formula_anonymous": "AB5C8",
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"spacegroup": 12
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{
"id": "jvasp-10776",
"created_at": "2022-09-04T14:38:12.537541Z",
"updated_at": "2022-09-04T14:38:12.537567Z",
"structure_string": "Ca3 P6 Ir6\n1.0\n3.332921 -5.772789 -0.000000\n3.332921 5.772789 0.000000\n-0.000000 -0.000000 7.136890\nCa P Ir\n3 6 6\ndirect\n0.606565 -0.000000 0.666667 Ca\n-0.000000 0.606565 0.333333 Ca\n0.393435 0.393435 0.000000 Ca\n0.776657 0.659676 0.710826 P\n0.116981 0.340324 0.622507 P\n0.659676 0.776657 0.289174 P\n0.340324 0.116981 0.377493 P\n0.883019 0.223342 0.044160 P\n0.223342 0.883019 0.955840 P\n0.137179 -0.000000 0.666667 Ir\n-0.000000 0.137179 0.333333 Ir\n0.511847 -0.000000 0.166667 Ir\n0.488152 0.488152 0.500000 Ir\n-0.000000 0.511847 0.833333 Ir\n0.862820 0.862820 0.000000 Ir\n",
"nsites": 15,
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"elements": [
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],
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"density": 8.824037808020973,
"density_atomic": 0.054618724835396655,
"volume": 274.6310911725822,
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"formula_full": "Ca3 P6 Ir6",
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"spacegroup": 154
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{
"id": "jvasp-106187",
"created_at": "2022-09-04T14:36:22.190186Z",
"updated_at": "2022-09-04T14:36:22.190209Z",
"structure_string": "Ca1 Mn3 O4\n1.0\n5.521926 0.017822 0.000000\n-1.829904 5.209937 0.000000\n0.000000 0.000000 3.230012\nCa Mn O\n1 3 4\ndirect\n0.500001 0.500000 0.000000 Ca\n0.000000 0.500000 0.500000 Mn\n0.500000 -0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.243202 0.756799 0.000000 O\n0.760001 0.760001 0.500000 O\n0.240000 0.240000 0.500000 O\n0.756799 0.243201 0.000000 O\n",
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"spacegroup": 65
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{
"id": "jvasp-67602",
"created_at": "2022-09-04T14:35:54.400026Z",
"updated_at": "2022-09-04T14:35:54.400053Z",
"structure_string": "Mg1 Be1 Tc2\n1.0\n2.987624 0.000000 -0.000000\n0.000000 2.987624 0.000000\n0.000000 0.000000 6.395334\nMg Be Tc\n1 1 2\ndirect\n0.499999 0.499999 0.734507 Mg\n0.000000 0.000000 0.462252 Be\n0.000000 0.000000 0.039911 Tc\n0.499999 0.499999 0.263328 Tc\n",
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{
"id": "jvasp-15568",
"created_at": "2022-09-04T14:36:34.781076Z",
"updated_at": "2022-09-04T14:36:34.781104Z",
"structure_string": "Tb1 Fe2 Si2\n1.0\n3.730534 -0.000000 -1.371670\n-0.504346 3.696285 -1.371670\n-0.081412 -0.093276 5.537387\nTb Fe Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.249999 0.749998 0.500000 Fe\n0.749999 0.249999 0.500000 Fe\n0.634991 0.634991 0.269984 Si\n0.365007 0.365006 0.730016 Si\n",
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"formula_full": "Tb1 Fe2 Si2",
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"spacegroup": 139
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{
"id": "jvasp-113989",
"created_at": "2022-09-04T14:38:51.891139Z",
"updated_at": "2022-09-04T14:38:51.891158Z",
"structure_string": "Cu2 B1 N2\n1.0\n2.627362 -0.000000 0.000000\n-0.000000 2.627362 0.000000\n-0.000000 -0.000000 6.744163\nCu B N\n2 1 2\ndirect\n0.500000 0.500000 0.828803 Cu\n0.500000 0.500000 0.171197 Cu\n0.000000 0.000000 0.500000 B\n0.000000 0.500000 0.375550 N\n0.500000 0.000000 0.624450 N\n",
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{
"id": "jvasp-26175",
"created_at": "2022-09-04T14:38:01.623842Z",
"updated_at": "2022-09-04T14:38:01.623860Z",
"structure_string": "Tl2 Cr6 S10\n1.0\n3.501307 -0.000037 -0.000038\n-1.750592 9.683380 0.028923\n-1.750492 -3.261591 10.180538\nTl Cr S\n2 6 10\ndirect\n0.913998 0.654624 0.173398 Tl\n0.086004 0.345376 0.826601 Tl\n0.500000 -0.000000 -0.000000 Cr\n0.000001 0.500000 0.500000 Cr\n0.224323 0.060204 0.388447 Cr\n0.775678 0.939796 0.611552 Cr\n0.244688 0.263494 0.225878 Cr\n0.755314 0.736506 0.774121 Cr\n0.363062 0.107517 0.618618 S\n0.636939 0.892483 0.381382 S\n0.183175 0.758407 0.607932 S\n0.816827 0.241593 0.392068 S\n0.076348 0.000863 0.151824 S\n0.672297 0.264818 0.079780 S\n0.923653 -0.000863 0.848176 S\n0.429573 0.511292 0.347863 S\n0.327705 0.735182 0.920219 S\n0.570429 0.488708 0.652137 S\n",
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{
"id": "jvasp-10760",
"created_at": "2022-09-04T14:37:27.804317Z",
"updated_at": "2022-09-04T14:37:27.804349Z",
"structure_string": "Tl1 Cd1 N3 O6\n1.0\n5.380294 -0.019689 -0.059917\n-0.060369 5.379991 -0.059917\n-0.019540 -0.019689 5.380592\nTl Cd N O\n1 1 3 6\ndirect\n0.626840 0.626840 0.626840 Tl\n0.099507 0.099507 0.099507 Cd\n0.161526 0.552184 0.114671 N\n0.552184 0.114672 0.161525 N\n0.114672 0.161526 0.552184 N\n0.669770 0.318030 0.160141 O\n0.160142 0.669770 0.318030 O\n0.919755 0.150836 0.682067 O\n0.682067 0.919755 0.150836 O\n0.150836 0.682068 0.919755 O\n0.318030 0.160142 0.669770 O\n",
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{
"id": "jvasp-105159",
"created_at": "2022-09-04T14:36:54.117886Z",
"updated_at": "2022-09-04T14:36:54.117913Z",
"structure_string": "Ga1 Fe1 Ru2\n1.0\n3.662619 -0.000000 2.114614\n1.220873 3.453150 2.114614\n-0.000000 -0.000000 4.229228\nGa Fe Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.499999 Fe\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.749999 Ru\n",
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{
"id": "jvasp-73358",
"created_at": "2022-09-04T14:35:51.583972Z",
"updated_at": "2022-09-04T14:35:51.583990Z",
"structure_string": "Be2 Tc1 P1\n1.0\n3.032571 -0.000000 -0.000000\n0.000000 3.032571 -0.000000\n-0.000000 0.000000 4.779667\nBe Tc P\n2 1 1\ndirect\n0.000000 0.000000 0.031214 Be\n0.500000 0.500000 0.235919 Be\n0.500000 0.500000 0.739611 Tc\n0.000000 0.000000 0.493257 P\n",
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