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{
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{
"id": "jvasp-20258",
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{
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"structure_string": "Nb2 Sb4\n1.0\n3.581292 -0.000000 0.895206\n1.626278 5.151407 1.105158\n0.004988 0.002200 7.591156\nNb Sb\n2 4\ndirect\n0.848089 0.113611 0.190211 Nb\n0.151911 0.886390 0.809791 Nb\n0.594403 0.699418 0.111776 Sb\n0.405597 0.300583 0.888225 Sb\n0.148804 0.238566 0.463826 Sb\n0.851196 0.761435 0.536175 Sb\n",
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{
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"structure_string": "Li2 Tb2 Sn4\n1.0\n-4.414790 -0.000000 0.000000\n-0.000000 0.000000 -4.478359\n2.207396 -9.442616 0.000000\nTb Li Sn\n2 2 4\ndirect\n0.892448 0.750000 0.784897 Tb\n0.107551 0.250000 0.215103 Tb\n0.675096 0.750000 0.350191 Li\n0.324904 0.250000 0.649809 Li\n0.545540 0.750000 0.091080 Sn\n0.454459 0.250000 0.908920 Sn\n0.251054 0.750000 0.502108 Sn\n0.748946 0.250000 0.497892 Sn\n",
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{
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"updated_at": "2022-09-04T14:36:59.189529Z",
"structure_string": "Nd1 Ho1 Zn2\n1.0\n4.409577 -0.000000 2.545871\n1.469859 4.157389 2.545871\n-0.000000 -0.000000 5.091741\nNd Ho Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 Ho\n0.250000 0.250000 0.250000 Zn\n0.750001 0.750000 0.749999 Zn\n",
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"spacegroup": 225
},
{
"id": "jvasp-91885",
"created_at": "2022-09-04T14:35:49.815393Z",
"updated_at": "2022-09-04T14:35:49.815424Z",
"structure_string": "Sr1 Mg6 Mo1\n1.0\n6.387561 -1.711150 0.000000\n-4.675680 8.098516 0.000000\n0.000000 0.000000 4.268987\nSr Mg Mo\n1 6 1\ndirect\n0.249928 0.374964 0.250000 Sr\n0.750085 0.375111 0.250000 Mg\n0.750085 0.874974 0.250000 Mg\n0.250019 0.091492 0.750001 Mg\n0.250020 0.658529 0.750001 Mg\n0.682885 0.091444 0.750001 Mg\n0.817049 0.658524 0.750001 Mg\n0.249928 0.874965 0.250000 Mo\n",
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"spacegroup": 123
},
{
"id": "jvasp-54786",
"created_at": "2022-09-04T14:37:38.040385Z",
"updated_at": "2022-09-04T14:37:38.040410Z",
"structure_string": "Ni1 Hg4\n1.0\n5.026721 0.000000 -1.777215\n-2.513361 4.353269 -1.777215\n0.000000 0.000000 5.331644\nNi Hg\n1 4\ndirect\n0.000000 0.000000 0.000000 Ni\n0.500000 -0.000000 0.000000 Hg\n0.000000 0.500000 0.000001 Hg\n0.500000 0.500000 0.500001 Hg\n-0.000000 -0.000000 0.500000 Hg\n",
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{
"id": "jvasp-79367",
"created_at": "2022-09-04T14:36:39.191465Z",
"updated_at": "2022-09-04T14:36:39.191486Z",
"structure_string": "Dy1 Y1 Al2\n1.0\n-0.000000 3.600307 3.600307\n3.600307 0.000000 3.600307\n3.600307 3.600307 0.000000\nDy Y Al\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Dy\n0.750002 0.750002 0.750002 Y\n0.500001 0.500001 0.500001 Al\n0.000000 0.000000 0.000000 Al\n",
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},
{
"id": "jvasp-13351",
"created_at": "2022-09-04T14:36:56.598901Z",
"updated_at": "2022-09-04T14:36:56.598924Z",
"structure_string": "Sr2 Nd4 S8\n1.0\n7.514707 0.002818 -0.004881\n-2.502245 7.085872 0.004881\n-2.510215 -3.541527 6.134106\nSr Nd S\n2 4 8\ndirect\n0.125000 0.750000 0.875000 Sr\n0.375000 0.250000 0.625000 Sr\n0.250000 0.627474 0.377474 Nd\n0.622526 0.372526 0.250000 Nd\n0.750001 0.872526 0.122526 Nd\n0.877475 0.127474 0.750001 Nd\n0.990722 0.847265 0.491657 S\n0.509279 0.000935 0.856544 S\n0.143457 0.152735 0.144391 S\n0.356544 0.500935 0.009279 S\n0.644392 0.652735 0.643457 S\n0.508344 0.999065 0.355609 S\n0.855610 0.499065 0.008343 S\n0.991658 0.347265 0.490722 S\n",
"nsites": 14,
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"elements": [
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"density": 5.127542986181855,
"density_atomic": 0.04285625052241286,
"volume": 326.6734683818948,
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"formula_full": "Sr2 Nd4 S8",
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"formula_anonymous": "AB2C4",
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{
"id": "jvasp-26408",
"created_at": "2022-09-04T14:37:40.735780Z",
"updated_at": "2022-09-04T14:37:40.735800Z",
"structure_string": "Sr2 Bi2 I2 O4\n1.0\n0.000000 5.925234 0.000001\n5.817488 0.000000 0.000000\n0.000000 -2.962543 -6.769170\nSr Bi I O\n2 2 2 4\ndirect\n0.594047 0.750000 0.188095 Sr\n0.405953 0.250000 0.811905 Sr\n0.924552 0.750000 0.849105 Bi\n0.075448 0.250000 0.150895 Bi\n0.255031 0.750000 0.510062 I\n0.744969 0.250000 0.489938 I\n0.233281 0.499999 0.000001 O\n0.233281 0.000001 0.000001 O\n0.766719 -0.000001 -0.000001 O\n0.766719 0.500001 -0.000001 O\n",
"nsites": 10,
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"density": 6.483277072995382,
"density_atomic": 0.042857181735935834,
"volume": 233.33312166009694,
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"formula_full": "Sr2 Bi2 I2 O4",
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{
"id": "jvasp-8760",
"created_at": "2022-09-04T14:37:04.304261Z",
"updated_at": "2022-09-04T14:37:04.304281Z",
"structure_string": "Cu1 Cl4\n1.0\n7.367728 0.000000 -0.000000\n7.367728 6.486871 1.414154\n3.683865 4.991647 3.529227\nCu Cl\n1 4\ndirect\n0.236696 0.500123 0.026362 Cu\n0.120241 0.026034 0.207451 Cl\n0.646464 -0.026576 0.260222 Cl\n0.367750 0.500210 0.252982 Cl\n0.878849 0.500210 0.252982 Cl\n",
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{
"id": "jvasp-13808",
"created_at": "2022-09-04T14:37:48.816360Z",
"updated_at": "2022-09-04T14:37:48.816381Z",
"structure_string": "As4 Cl12 O4\n1.0\n0.000000 8.100220 -0.004725\n6.096193 0.000000 0.000000\n0.000000 -3.855546 -9.448018\nAs Cl O\n4 12 4\ndirect\n0.661749 0.560723 0.987416 As\n0.338250 0.060723 0.512584 As\n0.338251 0.439276 0.012584 As\n0.661749 0.939276 0.487416 As\n0.797196 0.879585 0.987502 Cl\n0.202803 0.379585 0.512498 Cl\n0.202804 0.120415 0.012498 Cl\n0.797196 0.620415 0.487502 Cl\n0.885888 0.428577 0.163452 Cl\n0.114111 0.928577 0.336547 Cl\n0.114111 0.571422 0.836547 Cl\n0.885888 0.071423 0.663452 Cl\n0.655708 0.457266 0.783326 Cl\n0.344291 0.957266 0.716674 Cl\n0.344292 0.542734 0.216674 Cl\n0.655708 0.042734 0.283326 Cl\n0.478199 0.694906 0.005632 O\n0.521801 0.194907 0.494368 O\n0.521801 0.305093 0.994368 O\n0.478198 0.805093 0.505632 O\n",
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{
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"created_at": "2022-09-04T14:38:36.185681Z",
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"structure_string": "As4 Cl12 O4\n1.0\n0.000000 8.100262 -0.004705\n6.096153 0.000000 0.000000\n0.000000 -3.855589 -9.447989\nAs Cl O\n4 12 4\ndirect\n0.661749 0.560725 0.987420 As\n0.338250 0.060725 0.512580 As\n0.338250 0.439275 0.012580 As\n0.661749 0.939274 0.487419 As\n0.797196 0.879585 0.987503 Cl\n0.202804 0.379585 0.512497 Cl\n0.202804 0.120414 0.012497 Cl\n0.797196 0.620414 0.487503 Cl\n0.885887 0.428582 0.163456 Cl\n0.114112 0.928582 0.336543 Cl\n0.114112 0.571417 0.836543 Cl\n0.885887 0.071418 0.663456 Cl\n0.655709 0.457263 0.783328 Cl\n0.344291 0.957263 0.716671 Cl\n0.344291 0.542736 0.216671 Cl\n0.655709 0.042736 0.283328 Cl\n0.478199 0.694906 0.005633 O\n0.521801 0.194907 0.494367 O\n0.521801 0.305093 0.994367 O\n0.478198 0.805093 0.505633 O\n",
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}
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}