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{
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"structure_string": "Ba4 Tl1 W1\n1.0\n-0.000000 4.830809 4.830809\n4.830809 0.000000 4.830809\n4.830809 4.830809 0.000000\nBa Tl W\n4 1 1\ndirect\n0.123245 0.625585 0.625585 Ba\n0.625585 0.625585 0.625585 Ba\n0.625585 0.123245 0.625585 Ba\n0.625585 0.625585 0.123245 Ba\n0.250000 0.250000 0.250000 Tl\n0.000000 0.000000 0.000000 W\n",
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{
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"created_at": "2022-09-04T14:38:51.620415Z",
"updated_at": "2022-09-04T14:38:51.620437Z",
"structure_string": "Er4 Ga4 Ir4\n1.0\n4.276447 0.000000 0.000000\n0.000000 6.770063 0.000000\n-0.000000 0.000000 7.787739\nEr Ga Ir\n4 4 4\ndirect\n0.250000 0.974526 0.313565 Er\n0.250000 0.474526 0.186435 Er\n0.750001 0.025473 0.686435 Er\n0.750001 0.525473 0.813565 Er\n0.250000 0.344919 0.567994 Ga\n0.250000 0.844919 0.932007 Ga\n0.750001 0.655081 0.432007 Ga\n0.750001 0.155081 0.067994 Ga\n0.250000 0.233419 0.887232 Ir\n0.250000 0.733419 0.612768 Ir\n0.750001 0.766580 0.112768 Ir\n0.750001 0.266580 0.387232 Ir\n",
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"density_atomic": 0.05322235088991698,
"volume": 225.46918351690869,
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{
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"created_at": "2022-09-04T14:37:46.635710Z",
"updated_at": "2022-09-04T14:37:46.635741Z",
"structure_string": "Ac2 Cd6\n1.0\n3.594258 -6.225438 -0.000000\n3.594258 6.225438 -0.000000\n0.000000 -0.000000 5.038064\nAc Cd\n2 6\ndirect\n0.333333 0.666667 0.250000 Ac\n0.666667 0.333333 0.749999 Ac\n0.701608 0.850804 0.749999 Cd\n0.149196 0.298392 0.749999 Cd\n0.149196 0.850804 0.749999 Cd\n0.298392 0.149196 0.250000 Cd\n0.850804 0.701608 0.250000 Cd\n0.850804 0.149196 0.250000 Cd\n",
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{
"id": "jvasp-105993",
"created_at": "2022-09-04T14:35:43.471942Z",
"updated_at": "2022-09-04T14:35:43.471963Z",
"structure_string": "Sr4 Se1 S3\n1.0\n7.348625 -0.000226 1.244118\n6.089047 4.114098 1.244118\n-0.000806 -0.000247 7.456796\nSr Se S\n4 1 3\ndirect\n0.625506 0.625505 0.119531 Sr\n0.374496 0.374494 0.880470 Sr\n0.128674 0.128673 0.629110 Sr\n0.871327 0.871325 0.370891 Sr\n0.500001 0.499999 0.500000 Se\n0.248581 0.248581 0.249096 S\n0.000000 0.000000 0.000000 S\n0.751420 0.751418 0.750905 S\n",
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{
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"created_at": "2022-09-04T14:38:32.211530Z",
"updated_at": "2022-09-04T14:38:32.211551Z",
"structure_string": "Na4 Sr1 Si3 O9\n1.0\n6.186034 0.034304 -2.161506\n-3.065092 5.498856 -2.297861\n-0.028873 -0.063238 6.655884\nNa Sr Si O\n4 1 3 9\ndirect\n0.498635 0.498635 -0.002731 Na\n0.531288 0.031288 0.062576 Na\n0.458769 0.457536 0.479190 Na\n0.020421 0.021654 0.479190 Na\n0.984060 0.484060 0.968119 Sr\n0.492936 0.963503 0.531533 Si\n0.959265 0.959264 0.918529 Si\n0.038597 0.568032 0.531534 Si\n0.763287 0.001077 0.720164 O\n0.218431 0.208772 0.061738 O\n0.515908 0.229878 0.642897 O\n0.956877 0.719087 0.720164 O\n0.126990 0.413019 0.642897 O\n0.821582 0.435615 0.249224 O\n0.290002 0.790001 0.580003 O\n0.427643 0.813610 0.249225 O\n0.843307 0.852966 0.061737 O\n",
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"formula_full": "Na4 Sr1 Si3 O9",
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{
"id": "jvasp-101877",
"created_at": "2022-09-04T14:36:46.717235Z",
"updated_at": "2022-09-04T14:36:46.717243Z",
"structure_string": "Sn1 H12 C7 O4\n1.0\n5.157872 0.017882 0.081255\n-0.744614 6.207067 -0.378830\n0.106525 0.295824 7.022876\nSn H C O\n1 12 7 4\ndirect\n-0.002488 0.667457 0.638762 Sn\n0.996057 0.273634 0.483713 H\n0.143884 0.469705 0.318458 H\n0.080028 0.892031 0.963178 H\n0.767248 0.920780 0.868400 H\n0.055710 0.076451 0.772165 H\n0.327234 0.390856 0.517517 H\n0.347555 0.327153 0.029327 H\n0.623238 0.280836 0.297879 H\n0.835498 0.136507 0.157981 H\n0.488653 0.827522 0.124128 H\n0.263887 0.968309 0.261930 H\n0.465291 0.117066 0.899688 H\n0.471326 0.948216 0.238995 C\n0.630104 0.161887 0.181141 C\n0.525339 0.248838 0.000888 C\n0.717193 0.400653 0.888611 C\n0.136046 0.417814 0.466784 C\n0.975962 0.924537 0.835985 C\n0.571434 0.863438 0.419735 C\n0.435629 0.859684 0.571928 O\n0.629928 0.480670 0.737268 O\n0.954292 0.445538 0.930743 O\n0.803346 0.801312 0.405653 O\n",
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{
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"structure_string": "Y4 Hg2 O8\n1.0\n0.000000 4.830570 4.830626\n4.830439 0.000000 4.830626\n-0.000000 4.830570 -4.830626\nY Hg O\n4 2 8\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.000000 -0.000000 Y\n0.000000 0.500000 -0.000000 Y\n-0.000000 0.500000 0.500000 Y\n0.625000 0.250000 0.625000 Hg\n0.375000 0.750000 0.375000 Hg\n0.235093 0.029802 0.235091 O\n0.235105 0.029800 0.794710 O\n0.235090 0.470200 0.235094 O\n0.794711 0.470198 0.235104 O\n0.764910 0.529800 0.764905 O\n0.205289 0.529802 0.764895 O\n0.764907 0.970198 0.764908 O\n0.764896 0.970200 0.205290 O\n",
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"structure_string": "Re2 H8 N2 O8\n1.0\n5.553421 0.000000 -2.410913\n-1.046653 5.453898 -2.410913\n-0.047029 -0.056912 7.493144\nRe H N O\n2 8 2 8\ndirect\n0.000000 0.000000 0.000000 Re\n0.250000 0.750001 0.500000 Re\n0.848193 0.169871 0.599592 H\n0.401807 0.580130 0.900409 H\n0.419871 0.501399 0.099592 H\n0.570280 0.151807 0.400409 H\n0.751399 0.429720 0.599592 H\n0.679720 0.598193 0.099592 H\n0.498602 0.320281 0.900409 H\n0.830129 0.248602 0.400409 H\n0.500000 0.500000 0.000001 N\n0.750000 0.250000 0.500000 N\n0.457987 0.033634 0.663113 O\n0.283635 0.955126 0.163114 O\n0.792013 0.716367 0.836887 O\n0.370521 0.542013 0.336887 O\n0.966366 0.794875 0.336888 O\n0.205126 0.629480 0.663114 O\n0.879479 0.207988 0.163114 O\n0.044874 0.120521 0.836887 O\n",
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{
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"structure_string": "Fe2 Cu1 Rh3 S8\n1.0\n5.913781 -0.019310 3.342214\n1.941192 5.586139 3.342214\n-0.027248 -0.019310 6.792825\nFe Cu Rh S\n2 1 3 8\ndirect\n0.381317 0.381318 0.381318 Fe\n0.751161 0.751162 0.751161 Fe\n0.997355 0.997356 0.997356 Cu\n0.377793 0.377794 0.868536 Rh\n0.868535 0.377794 0.377794 Rh\n0.377793 0.868536 0.377794 Rh\n0.132876 0.132877 0.132876 S\n0.141953 0.141954 0.592496 S\n0.592496 0.141954 0.141953 S\n0.141953 0.592496 0.141953 S\n0.623507 0.623507 0.623507 S\n0.617115 0.617116 0.129025 S\n0.129025 0.617116 0.617116 S\n0.617115 0.129026 0.617116 S\n",
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"created_at": "2022-09-04T14:36:20.169430Z",
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"structure_string": "Ba4 Zn1 Rh1\n1.0\n0.000000 4.830393 4.830393\n4.830393 0.000000 4.830393\n4.830393 4.830393 0.000000\nBa Zn Rh\n4 1 1\ndirect\n0.127107 0.624297 0.624297 Ba\n0.624297 0.624297 0.624297 Ba\n0.624297 0.127107 0.624297 Ba\n0.624297 0.624297 0.127107 Ba\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Rh\n",
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}