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{
"id": "jvasp-13308",
"created_at": "2022-09-04T14:36:51.701810Z",
"updated_at": "2022-09-04T14:36:51.701833Z",
"structure_string": "Y4 Cd2 S8\n1.0\n7.959537 -0.000000 -0.000000\n3.979769 6.893161 0.000000\n3.979769 2.297720 6.498935\nY Cd S\n4 2 8\ndirect\n0.000000 0.500000 0.500000 Y\n0.500000 0.500000 0.000000 Y\n0.500000 0.000000 0.500000 Y\n0.500001 0.500000 0.500000 Y\n0.125000 0.125000 0.125000 Cd\n0.875001 0.875000 0.874999 Cd\n0.742846 0.742846 0.742845 S\n0.728536 0.257154 0.257154 S\n0.257155 0.257155 0.728535 S\n0.742846 0.271464 0.742845 S\n0.257155 0.728536 0.257154 S\n0.742846 0.742845 0.271464 S\n0.257155 0.257154 0.257154 S\n0.271465 0.742846 0.742845 S\n",
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{
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{
"id": "jvasp-9457",
"created_at": "2022-09-04T14:38:09.432298Z",
"updated_at": "2022-09-04T14:38:09.432312Z",
"structure_string": "Ca4 Cr4 O8\n1.0\n3.068958 0.003986 0.004884\n-0.011000 8.151933 0.061724\n-0.012580 -0.905185 8.444733\nCa Cr O\n4 4 8\ndirect\n0.751979 0.931490 0.334953 Ca\n0.251983 0.088591 0.693249 Ca\n0.751995 0.195995 0.055228 Ca\n0.251974 0.824092 0.972974 Ca\n0.752009 0.728325 0.622933 Cr\n0.251945 0.562193 0.213081 Cr\n0.752025 0.457899 0.815131 Cr\n0.251959 0.291744 0.405263 Cr\n0.751967 0.186678 0.511278 O\n0.252021 0.615831 0.750467 O\n0.751940 0.404261 0.277743 O\n0.252002 0.833392 0.516911 O\n0.751983 0.973393 0.848217 O\n0.751953 0.695762 0.140945 O\n0.251977 0.046696 0.179981 O\n0.252017 0.324320 0.887255 O\n",
"nsites": 16,
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"volume": 211.44220785144248,
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"formula_full": "Ca4 Cr4 O8",
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"formula_anonymous": "ABC2",
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"spacegroup": 11
},
{
"id": "jvasp-67477",
"created_at": "2022-09-04T14:35:40.823555Z",
"updated_at": "2022-09-04T14:35:40.823576Z",
"structure_string": "Be2 V1 Br1\n1.0\n2.888615 0.000000 0.000000\n0.000000 2.888615 -0.000000\n0.000000 -0.000000 7.601483\nBe V Br\n2 1 1\ndirect\n0.000000 0.000000 0.008526 Be\n0.500001 0.500001 0.119166 Be\n0.500001 0.500001 0.791673 V\n0.000000 0.000000 0.580635 Br\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Be-Br-V",
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"volume": 63.42750859379483,
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"formula_full": "Be2 V1 Br1",
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"spacegroup": 99
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{
"id": "jvasp-110666",
"created_at": "2022-09-04T14:38:50.090125Z",
"updated_at": "2022-09-04T14:38:50.090135Z",
"structure_string": "Na2 In1 Cu1 Br6\n1.0\n6.506439 -0.000000 3.756495\n2.168813 6.134330 3.756495\n-0.000000 -0.000000 7.512989\nNa In Cu Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Cu\n0.744333 0.255667 0.255666 Br\n0.255667 0.255667 0.744333 Br\n0.255667 0.744333 0.744333 Br\n0.255667 0.744333 0.255667 Br\n0.744333 0.255667 0.744333 Br\n0.744333 0.744333 0.255666 Br\n",
"nsites": 10,
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"volume": 299.8632549638029,
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"formula_full": "Na2 In1 Cu1 Br6",
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{
"id": "jvasp-105070",
"created_at": "2022-09-04T14:36:51.984184Z",
"updated_at": "2022-09-04T14:36:51.984210Z",
"structure_string": "Na2 Al1 Hg1 Br6\n1.0\n6.654774 -0.000000 3.842136\n2.218258 6.274181 3.842136\n-0.000000 -0.000000 7.684271\nNa Al Hg Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500001 Hg\n0.767789 0.232211 0.232212 Br\n0.232211 0.232211 0.767789 Br\n0.232211 0.767789 0.767789 Br\n0.232211 0.767789 0.232212 Br\n0.767789 0.232211 0.767790 Br\n0.767789 0.767789 0.232212 Br\n",
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"volume": 320.8433387708182,
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"formula_full": "Na2 Al1 Hg1 Br6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
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{
"id": "jvasp-36477",
"created_at": "2022-09-04T14:37:31.422241Z",
"updated_at": "2022-09-04T14:37:31.422273Z",
"structure_string": "Sr3 Sb1 As1\n1.0\n5.807229 0.000000 -0.000000\n-0.000000 5.807229 0.000000\n0.000000 0.000000 5.807229\nSr Sb As\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 As\n",
"nsites": 5,
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"spacegroup": 221
},
{
"id": "jvasp-45310",
"created_at": "2022-09-04T14:38:28.994369Z",
"updated_at": "2022-09-04T14:38:28.994395Z",
"structure_string": "Ca4 Al8 O16\n1.0\n2.892917 -0.000000 0.000000\n0.000000 8.966482 0.000000\n0.000000 0.000000 10.386326\nCa Al O\n4 8 16\ndirect\n0.250000 0.742198 0.155427 Ca\n0.750001 0.257802 0.844574 Ca\n0.250000 0.242198 0.344573 Ca\n0.750001 0.757802 0.655427 Ca\n0.750001 0.438004 0.611246 Al\n0.250000 0.561996 0.388754 Al\n0.250000 0.061996 0.111246 Al\n0.750001 0.938004 0.888755 Al\n0.250000 0.581713 0.896891 Al\n0.750001 0.918287 0.396891 Al\n0.250000 0.081713 0.603110 Al\n0.750001 0.418287 0.103110 Al\n0.250000 0.385571 0.980355 O\n0.250000 0.796434 0.845973 O\n0.750001 0.203566 0.154028 O\n0.750001 0.114429 0.480355 O\n0.250000 0.885571 0.519645 O\n0.750001 0.614429 0.019645 O\n0.750001 0.526035 0.784321 O\n0.750001 0.922407 0.071833 O\n0.750001 0.026035 0.715679 O\n0.250000 0.973965 0.284321 O\n0.750001 0.422407 0.428167 O\n0.250000 0.577592 0.571834 O\n0.750001 0.703566 0.345973 O\n0.250000 0.077593 0.928167 O\n0.250000 0.473965 0.215679 O\n0.250000 0.296434 0.654028 O\n",
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"volume": 269.4139035361815,
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"spacegroup": 62
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{
"id": "jvasp-68524",
"created_at": "2022-09-04T14:36:04.821401Z",
"updated_at": "2022-09-04T14:36:04.821428Z",
"structure_string": "Li1 Be1 Ni1\n1.0\n1.235933 -2.140700 0.000000\n1.235933 2.140700 -0.000000\n0.000000 0.000000 6.012475\nLi Be Ni\n1 1 1\ndirect\n0.333332 0.666666 0.661892 Li\n0.000000 0.000000 0.023350 Be\n0.666666 0.333332 0.314759 Ni\n",
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{
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"created_at": "2022-09-04T14:38:42.274749Z",
"updated_at": "2022-09-04T14:38:42.274783Z",
"structure_string": "V4 Zn4 O14\n1.0\n5.415817 -0.107889 1.388965\n-0.957174 5.331653 1.388965\n-0.028389 -0.033260 10.194715\nV Zn O\n4 4 14\ndirect\n0.498010 0.001816 0.705103 V\n-0.001816 0.501990 0.794896 V\n0.501990 -0.001817 0.294897 V\n0.001817 0.498010 0.205104 V\n0.612948 0.756856 0.018699 Zn\n0.243143 0.387053 0.481302 Zn\n0.387053 0.243143 0.981302 Zn\n0.756858 0.612947 0.518698 Zn\n0.437551 0.980653 0.138773 O\n0.019347 0.562449 0.361228 O\n0.198370 0.801630 0.750000 O\n0.801631 0.198370 0.250000 O\n0.296627 0.482662 0.106862 O\n0.517338 0.703373 0.393139 O\n0.283570 0.118713 0.390796 O\n0.482663 0.296626 0.606861 O\n0.881288 0.716429 0.109205 O\n0.980654 0.437550 0.638773 O\n0.118713 0.283570 0.890796 O\n0.716431 0.881286 0.609204 O\n0.703374 0.517337 0.893139 O\n0.562450 0.019347 0.861227 O\n",
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{
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"structure_string": "Na2 Zr2 Cu2 S6\n1.0\n3.707296 0.000000 -0.000000\n-1.853649 6.433699 0.000000\n0.000000 -0.000000 9.791211\nNa Zr Cu S\n2 2 2 6\ndirect\n0.750685 0.501368 0.750000 Na\n0.249316 0.498632 0.250000 Na\n0.000000 0.000000 0.500000 Zr\n0.000000 0.000000 0.000000 Zr\n0.468574 0.937148 0.750000 Cu\n0.531427 0.062852 0.250000 Cu\n0.920858 0.841717 0.250000 S\n0.366717 0.733434 0.941533 S\n0.079142 0.158284 0.750000 S\n0.366717 0.733434 0.558467 S\n0.633283 0.266566 0.058467 S\n0.633283 0.266566 0.441533 S\n",
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{
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"created_at": "2022-09-04T14:35:52.138925Z",
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"structure_string": "Mg6 Si1 W1\n1.0\n6.071978 -0.004138 0.000000\n-3.039573 5.256419 0.000000\n0.000000 0.000000 4.779705\nMg Si W\n6 1 1\ndirect\n0.173758 0.843754 0.250000 Mg\n0.656246 0.326243 0.250000 Mg\n0.668927 0.831073 0.250000 Mg\n0.327331 0.669088 0.749999 Mg\n0.830912 0.172669 0.749999 Mg\n0.830055 0.669945 0.749999 Mg\n0.194705 0.305295 0.250000 Si\n0.318070 0.181930 0.749999 W\n",
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}
]
}