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{
"id": "jvasp-91589",
"created_at": "2022-09-04T14:35:58.723411Z",
"updated_at": "2022-09-04T14:35:58.723430Z",
"structure_string": "Ce2 Sb4 Pd2\n1.0\n4.436714 -0.000000 -0.000000\n-0.000000 4.436714 -0.000000\n-0.000000 -0.000000 9.797460\nCe Sb Pd\n2 4 2\ndirect\n0.749999 0.749999 0.745478 Ce\n0.250000 0.250000 0.254522 Ce\n0.250000 0.749999 0.000000 Sb\n0.749999 0.250000 0.000000 Sb\n0.749999 0.749999 0.331916 Sb\n0.250000 0.250000 0.668084 Sb\n0.250000 0.749999 0.500000 Pd\n0.749999 0.250000 0.500000 Pd\n",
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{
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"structure_string": "Li24 Mg6 Si8\n1.0\n8.704611 0.000000 -3.077544\n-4.352305 7.538413 -3.077544\n-0.000000 -0.000000 9.232634\nLi Mg Si\n24 6 8\ndirect\n0.112769 0.082827 0.269708 Li\n0.887230 0.470058 0.156939 Li\n0.029942 0.917172 0.686879 Li\n0.343061 0.813120 0.730292 Li\n0.612769 0.769708 0.582827 Li\n0.769707 0.582827 0.612770 Li\n0.387230 0.656938 0.970058 Li\n0.186879 0.417173 0.529942 Li\n0.313120 0.843061 0.230292 Li\n0.082827 0.269708 0.112769 Li\n0.269708 0.112769 0.082827 Li\n0.970057 0.387230 0.656939 Li\n0.582827 0.612769 0.769708 Li\n0.230292 0.313120 0.843061 Li\n0.656938 0.970057 0.387231 Li\n0.529942 0.186880 0.417173 Li\n0.843061 0.230292 0.313121 Li\n0.686880 0.029942 0.917173 Li\n0.813120 0.730292 0.343062 Li\n0.730292 0.343061 0.813120 Li\n0.470058 0.156938 0.887230 Li\n0.156938 0.887230 0.470058 Li\n0.917172 0.686879 0.029943 Li\n0.417172 0.529942 0.186880 Li\n0.749999 0.875000 0.125000 Mg\n0.625000 0.375000 0.250000 Mg\n0.875000 0.125000 0.750000 Mg\n0.375000 0.250000 0.625000 Mg\n0.250000 0.625000 0.375000 Mg\n0.124999 0.750000 0.875000 Mg\n0.093026 0.500000 0.000000 Si\n0.406974 0.406974 0.406974 Si\n0.593026 0.500000 0.000000 Si\n-0.000000 0.593026 0.500000 Si\n0.500000 0.000000 0.593026 Si\n-0.000000 0.093026 0.500000 Si\n0.500000 -0.000000 0.093026 Si\n0.906973 0.906974 0.906974 Si\n",
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"volume": 605.8357739486964,
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"formula_full": "Li24 Mg6 Si8",
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"spacegroup": 220
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{
"id": "jvasp-91264",
"created_at": "2022-09-04T14:35:58.712795Z",
"updated_at": "2022-09-04T14:35:58.712821Z",
"structure_string": "Sr2 Ni2 O4\n1.0\n3.582837 -0.000000 -0.784142\n-0.000000 3.763789 0.000000\n-0.048576 0.000000 8.355319\nSr Ni O\n2 2 4\ndirect\n0.333107 0.750000 0.666215 Sr\n0.666893 0.249999 0.333786 Sr\n0.064099 0.750000 0.128201 Ni\n0.935901 0.249999 0.871801 Ni\n0.180150 0.750000 0.360301 O\n0.819850 0.249999 0.639700 O\n0.948329 0.750000 0.896662 O\n0.051668 0.249999 0.103339 O\n",
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"density_atomic": 0.07109312158688703,
"volume": 112.5284671910592,
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"formula_full": "Sr2 Ni2 O4",
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"spacegroup": 63
},
{
"id": "jvasp-76204",
"created_at": "2022-09-04T14:35:58.712469Z",
"updated_at": "2022-09-04T14:35:58.712485Z",
"structure_string": "Nd2 Sc2 Si2\n1.0\n4.293282 -0.000000 0.000000\n-0.000000 4.293282 0.000000\n-2.146642 -2.146642 7.904008\nNd Sc Si\n2 2 2\ndirect\n0.676415 0.676415 0.352831 Nd\n0.323585 0.323585 0.647169 Nd\n0.500000 -0.000000 -0.000000 Sc\n-0.000000 0.500000 -0.000000 Sc\n0.877278 0.877278 0.754557 Si\n0.122722 0.122722 0.245444 Si\n",
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{
"id": "jvasp-97842",
"created_at": "2022-09-04T14:35:58.711935Z",
"updated_at": "2022-09-04T14:35:58.711959Z",
"structure_string": "Sr1 V2 P4 O14\n1.0\n4.812940 0.040190 0.182164\n2.094967 6.854603 0.005715\n-0.026599 0.002216 7.821208\nSr V P O\n1 2 4 14\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.000000 V\n-0.000000 0.000000 0.500000 V\n0.618124 0.769524 0.299719 P\n0.381876 0.230476 0.700281 P\n0.042648 0.378675 0.245323 P\n0.957352 0.621326 0.754678 P\n0.814204 0.552312 0.351423 O\n0.619053 0.182834 0.561557 O\n0.380947 0.817167 0.438444 O\n0.099383 0.190615 0.343722 O\n0.492794 0.238113 0.883527 O\n0.507207 0.761888 0.116473 O\n0.185796 0.447688 0.648578 O\n0.893316 0.352875 0.078078 O\n0.106684 0.647125 0.921922 O\n0.680373 0.565234 0.788691 O\n0.319628 0.434766 0.211310 O\n0.900617 0.809385 0.656279 O\n0.817987 0.902330 0.294446 O\n0.182013 0.097671 0.705554 O\n",
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"elements": [
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"formula_full": "Sr1 V2 P4 O14",
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{
"id": "jvasp-97999",
"created_at": "2022-09-04T14:35:58.710572Z",
"updated_at": "2022-09-04T14:35:58.710589Z",
"structure_string": "Li2 V2 Si4 O12\n1.0\n5.130725 0.002956 1.367391\n1.528511 6.287573 0.768923\n0.000478 0.035224 6.516132\nLi V Si O\n2 2 4 12\ndirect\n0.749998 0.263330 0.736662 Li\n0.249999 0.736662 0.263330 Li\n0.750005 0.910091 0.089913 V\n0.250003 0.089913 0.910091 V\n0.770003 0.794483 0.609625 Si\n0.229991 0.205516 0.390376 Si\n0.270002 0.609625 0.794482 Si\n0.729991 0.390378 0.205517 Si\n0.063219 0.648876 0.637480 O\n0.563219 0.637480 0.648875 O\n0.936754 0.351105 0.362540 O\n0.171952 0.107681 0.632410 O\n0.845743 0.207662 0.027866 O\n0.154259 0.792338 0.972136 O\n0.328073 0.367588 0.892311 O\n0.828075 0.892312 0.367588 O\n0.671953 0.632411 0.107682 O\n0.345746 0.027866 0.207659 O\n0.436755 0.362540 0.351106 O\n0.654258 0.972135 0.792339 O\n",
"nsites": 20,
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"density": 3.3201238369971287,
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"volume": 210.11027420042882,
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"formula_full": "Li2 V2 Si4 O12",
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{
"id": "jvasp-66580",
"created_at": "2022-09-04T14:35:58.705146Z",
"updated_at": "2022-09-04T14:35:58.705165Z",
"structure_string": "Ba1 Hg1 Br1\n1.0\n-0.000000 3.927508 3.927508\n3.927508 -0.000000 3.927508\n3.927508 3.927508 0.000000\nBa Hg Br\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Br\n",
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{
"id": "jvasp-85363",
"created_at": "2022-09-04T14:35:58.703600Z",
"updated_at": "2022-09-04T14:35:58.703626Z",
"structure_string": "Fe9 Co7\n1.0\n5.671880 -0.000011 -0.000003\n-0.000011 5.671883 -0.000040\n-0.000002 -0.000040 5.671885\nFe Co\n9 7\ndirect\n0.250032 0.250031 0.250031 Fe\n0.749972 0.250029 0.250029 Fe\n0.749972 0.749972 0.749973 Fe\n0.250029 0.749971 0.250029 Fe\n0.250029 0.250029 0.749972 Fe\n0.250032 0.749969 0.749969 Fe\n0.749969 0.749968 0.250033 Fe\n0.749969 0.250032 0.749969 Fe\n0.500001 0.499998 0.500003 Fe\n0.500001 0.000002 0.999999 Co\n1.000000 0.499999 0.500003 Co\n1.000000 0.000002 0.500004 Co\n1.000000 0.499998 0.999999 Co\n0.500001 0.499999 1.000000 Co\n1.000000 0.000002 0.999999 Co\n0.500001 0.000001 0.500002 Co\n",
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"structure_string": "Ca4 Cr4 O12\n1.0\n5.277238 0.000000 0.000000\n0.000000 5.352945 0.000000\n0.000000 0.000000 7.483877\nCa Cr O\n4 4 12\ndirect\n0.008353 0.957891 0.750000 Ca\n0.508353 0.542109 0.250000 Ca\n0.491647 0.457890 0.750000 Ca\n0.991647 0.042108 0.250000 Ca\n0.500000 0.000000 0.500000 Cr\n0.000000 0.499999 0.000000 Cr\n0.500000 0.000000 0.000000 Cr\n0.000000 0.499999 0.500000 Cr\n0.791110 0.790196 0.462077 O\n0.291109 0.709802 0.537924 O\n0.927379 0.514045 0.750000 O\n0.291109 0.709802 0.962076 O\n0.791110 0.790196 0.037923 O\n0.208891 0.209803 0.537924 O\n0.708891 0.290198 0.462077 O\n0.072621 0.485954 0.250000 O\n0.572621 0.014045 0.750000 O\n0.427379 0.985955 0.250000 O\n0.708891 0.290198 0.037923 O\n0.208891 0.209803 0.962076 O\n",
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{
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{
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{
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}