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{
"id": "jvasp-85634",
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"structure_string": "Mg1 Se3\n1.0\n7.478525 -0.593362 -0.763593\n0.654834 -3.715895 0.074036\n3.017493 -1.475076 -3.873639\nMg Se\n1 3\ndirect\n0.689102 0.419692 0.683258 Mg\n0.081682 0.110857 -0.083279 Se\n0.039535 0.859777 0.458201 Se\n0.565587 0.117532 0.410986 Se\n",
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{
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"structure_string": "Li1 Pm1 In2\n1.0\n4.496907 -0.000000 2.596290\n1.498969 4.239725 2.596290\n-0.000000 -0.000000 5.192581\nLi Pm In\n1 1 2\ndirect\n0.500001 0.499999 0.500000 Li\n0.000000 0.000000 0.000000 Pm\n0.750001 0.749999 0.750000 In\n0.250000 0.250000 0.250000 In\n",
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{
"id": "jvasp-18660",
"created_at": "2022-09-04T14:36:02.148192Z",
"updated_at": "2022-09-04T14:36:02.148220Z",
"structure_string": "Ce1 Hg2\n1.0\n2.535585 -4.391764 -0.000000\n2.535585 4.391764 -0.000000\n-0.000000 -0.000000 3.333850\nCe Hg\n1 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.333334 0.666668 0.500000 Hg\n0.666668 0.333334 0.500000 Hg\n",
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{
"id": "jvasp-117976",
"created_at": "2022-09-04T14:38:49.221839Z",
"updated_at": "2022-09-04T14:38:49.221865Z",
"structure_string": "Ca1 Ga1 N1\n1.0\n4.497589 -0.000000 -0.000000\n-2.248795 3.895027 0.000000\n-0.000000 -0.000000 4.238384\nCa Ga N\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.333335 0.666667 0.000000 Ga\n0.666668 0.333333 0.000000 N\n",
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{
"id": "jvasp-104770",
"created_at": "2022-09-04T14:37:01.737378Z",
"updated_at": "2022-09-04T14:37:01.737397Z",
"structure_string": "Y2 Se4\n1.0\n5.200926 0.066622 -5.515060\n-0.315327 3.888962 -6.499731\n-0.123779 -0.066622 7.579591\nY Se\n2 4\ndirect\n0.859060 0.859059 -0.000001 Y\n0.140940 0.140940 -0.000000 Y\n0.711372 0.211371 0.500000 Se\n0.288628 0.788628 0.499999 Se\n0.753064 0.500000 0.253064 Se\n0.246936 0.500000 0.746936 Se\n",
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},
{
"id": "jvasp-25902",
"created_at": "2022-09-04T14:38:29.997345Z",
"updated_at": "2022-09-04T14:38:29.997355Z",
"structure_string": "In2 Sb4 S8 Cl2\n1.0\n3.901599 -0.000009 -0.000614\n-1.950501 9.997008 -0.068739\n-1.948711 -4.462781 10.183090\nIn Sb S Cl\n2 4 8 2\ndirect\n0.274438 0.112430 0.436508 In\n0.725563 0.887570 0.563492 In\n0.773853 0.323232 0.224555 Sb\n0.104327 0.307402 0.901080 Sb\n0.226148 0.676769 0.775445 Sb\n0.895674 0.692598 0.098920 Sb\n0.632993 0.918937 0.347019 S\n0.317078 0.498044 0.136129 S\n0.181209 0.145077 0.217362 S\n0.577171 0.175423 0.978827 S\n0.818792 0.854923 0.782638 S\n0.367008 0.081063 0.652981 S\n0.682923 0.501956 0.863872 S\n0.422830 0.824577 0.021173 S\n0.074767 0.678397 0.470996 Cl\n0.925234 0.321603 0.529005 Cl\n",
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"elements": [
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"density": 4.37854317183468,
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"volume": 395.9700960967606,
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"formula_full": "In2 Sb4 S8 Cl2",
"formula_reduced": "InSb2S4Cl",
"formula_anonymous": "ABC2D4",
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{
"id": "jvasp-29426",
"created_at": "2022-09-04T14:37:57.715293Z",
"updated_at": "2022-09-04T14:37:57.715311Z",
"structure_string": "In2 Sb4 S8 Cl2\n1.0\n3.844796 0.000082 0.663944\n1.228525 9.128025 4.350558\n0.030287 -0.002237 11.286913\nIn Sb S Cl\n2 4 8 2\ndirect\n0.837972 0.887582 0.436492 In\n0.162029 0.112418 0.563508 In\n0.549383 0.676744 0.224556 Sb\n0.203074 0.692592 0.901063 Sb\n0.450617 0.323256 0.775444 Sb\n0.796926 0.307408 0.098937 Sb\n0.285938 0.081073 0.347019 S\n0.180956 0.501973 0.136125 S\n0.963866 0.854917 0.217366 S\n0.598268 0.824556 0.978813 S\n0.036135 0.145083 0.782634 S\n0.714063 0.918927 0.652980 S\n0.819045 0.498027 0.863874 S\n0.401733 0.175444 0.021186 S\n0.603676 0.321580 0.470957 Cl\n0.396324 0.678420 0.529043 Cl\n",
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"formula_full": "In2 Sb4 S8 Cl2",
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{
"id": "jvasp-81771",
"created_at": "2022-09-04T14:37:17.805754Z",
"updated_at": "2022-09-04T14:37:17.805771Z",
"structure_string": "Sr1 Y1 Pt2\n1.0\n-9.435840 -0.000000 -5.447785\n-6.203165 -0.511561 -0.151373\n-4.971850 2.971125 -2.284074\nSr Y Pt\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500001 -0.000001 -0.000000 Y\n0.737533 -0.000001 -0.000000 Pt\n0.262468 -0.000000 -0.000000 Pt\n",
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{
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"created_at": "2022-09-04T14:37:02.724468Z",
"updated_at": "2022-09-04T14:37:02.724494Z",
"structure_string": "Li2 In1 Cu1 Cl6\n1.0\n6.102968 -0.000000 3.523550\n2.034323 5.753934 3.523550\n-0.000000 -0.000000 7.047101\nLi In Cu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Li\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Cu\n0.745374 0.254626 0.254626 Cl\n0.254626 0.254626 0.745374 Cl\n0.254626 0.745373 0.745374 Cl\n0.254626 0.745373 0.254626 Cl\n0.745374 0.254626 0.745374 Cl\n0.745374 0.745373 0.254626 Cl\n",
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{
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"created_at": "2022-09-04T14:35:44.925133Z",
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"structure_string": "Be1 Sb2 Te1\n1.0\n5.243862 0.000000 0.000000\n0.000000 5.243862 -0.000000\n0.000000 -0.000000 3.599749\nBe Sb Te\n1 2 1\ndirect\n0.000000 0.000000 0.500000 Be\n0.500000 0.000000 0.000000 Sb\n0.000000 0.500000 0.000000 Sb\n0.500000 0.500000 0.500000 Te\n",
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{
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