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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=1046",
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"results": [
{
"id": "jvasp-56890",
"created_at": "2022-09-04T14:36:43.960037Z",
"updated_at": "2022-09-04T14:36:43.960054Z",
"structure_string": "Sr4 Br8\n1.0\n4.688560 -0.000000 0.000000\n-0.000000 7.770300 0.000000\n0.000000 0.000000 11.306242\nSr Br\n4 8\ndirect\n0.250000 0.138793 0.831977 Sr\n0.750000 0.861207 0.168023 Sr\n0.250000 0.361207 0.331977 Sr\n0.750000 0.638793 0.668023 Sr\n0.750000 0.617605 0.390138 Br\n0.250000 0.382395 0.609862 Br\n0.250000 0.615371 0.121687 Br\n0.250000 0.117605 0.109862 Br\n0.250000 0.884629 0.621687 Br\n0.750000 0.384629 0.878313 Br\n0.750000 0.882395 0.890138 Br\n0.750000 0.115371 0.378313 Br\n",
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{
"id": "jvasp-55617",
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"updated_at": "2022-09-04T14:36:44.625848Z",
"structure_string": "Lu4 Se4 Cl4 O12\n1.0\n6.804044 0.000000 0.000000\n-0.000000 7.051703 0.000000\n0.000000 0.000000 8.698801\nLu Se Cl O\n4 4 4 12\ndirect\n0.250000 0.599609 0.960959 Lu\n0.750000 0.400390 0.039041 Lu\n0.250000 0.099609 0.539041 Lu\n0.750000 0.900390 0.460959 Lu\n0.250000 0.698202 0.366775 Se\n0.250000 0.198202 0.133225 Se\n0.750000 0.801797 0.866775 Se\n0.750000 0.301798 0.633225 Se\n0.750000 0.057166 0.182285 Cl\n0.250000 0.442834 0.682285 Cl\n0.250000 0.942833 0.817715 Cl\n0.750000 0.557166 0.317715 Cl\n0.250000 0.249126 0.323978 O\n0.929933 0.145185 0.564894 O\n0.429933 0.854815 0.435106 O\n0.570066 0.645185 0.935106 O\n0.070067 0.354815 0.064894 O\n0.070067 0.854815 0.435106 O\n0.570066 0.145185 0.564894 O\n0.429933 0.354815 0.064894 O\n0.750000 0.750874 0.676022 O\n0.250000 0.749126 0.176022 O\n0.750000 0.250874 0.823978 O\n0.929933 0.645185 0.935106 O\n",
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{
"id": "jvasp-50202",
"created_at": "2022-09-04T14:36:45.006082Z",
"updated_at": "2022-09-04T14:36:45.006099Z",
"structure_string": "Zr8 N8 O4\n1.0\n3.137978 -0.000000 0.000000\n0.000000 8.499664 0.000000\n0.000000 0.000000 8.559994\nZr N O\n8 8 4\ndirect\n0.250000 0.001095 0.181869 Zr\n0.750001 0.178751 0.494842 Zr\n0.750001 0.321250 0.994841 Zr\n0.250000 0.498904 0.681869 Zr\n0.750001 0.501095 0.318130 Zr\n0.250000 0.678750 0.005158 Zr\n0.250000 0.821250 0.505158 Zr\n0.750001 0.998904 0.818130 Zr\n0.750001 0.944213 0.375939 N\n0.750001 0.866987 0.047414 N\n0.750001 0.633012 0.547414 N\n0.750001 0.555786 0.875939 N\n0.250000 0.133013 0.952585 N\n0.250000 0.366987 0.452585 N\n0.250000 0.055786 0.624061 N\n0.250000 0.444213 0.124061 N\n0.250000 0.690389 0.273583 O\n0.750001 0.190389 0.226416 O\n0.750001 0.309611 0.726416 O\n0.250000 0.809610 0.773583 O\n",
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"spacegroup": 62
},
{
"id": "jvasp-36442",
"created_at": "2022-09-04T14:36:46.190099Z",
"updated_at": "2022-09-04T14:36:46.190120Z",
"structure_string": "Ba4 Br4 Cl4\n1.0\n4.823546 -0.000000 0.000000\n-0.000000 8.180288 0.000000\n0.000000 0.000000 9.555886\nBa Br Cl\n4 4 4\ndirect\n0.750001 0.736669 0.122165 Ba\n0.250000 0.263331 0.877836 Ba\n0.750001 0.236669 0.377835 Ba\n0.250000 0.763331 0.622165 Ba\n0.750001 0.970277 0.827945 Br\n0.250000 0.029723 0.172056 Br\n0.750001 0.470277 0.672056 Br\n0.250000 0.529724 0.327945 Br\n0.750001 0.856367 0.432513 Cl\n0.250000 0.143633 0.567488 Cl\n0.750001 0.356367 0.067488 Cl\n0.250000 0.643633 0.932513 Cl\n",
"nsites": 12,
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},
{
"id": "jvasp-32689",
"created_at": "2022-09-04T14:36:46.186243Z",
"updated_at": "2022-09-04T14:36:46.186267Z",
"structure_string": "C4 S4 N4 F20\n1.0\n5.874457 -0.000000 0.000000\n-0.000000 7.751324 0.000000\n0.000000 0.000000 9.687529\nC S N F\n4 4 4 20\ndirect\n0.750000 0.552080 0.045733 C\n0.250000 0.447920 0.954267 C\n0.250000 0.052080 0.454267 C\n0.750000 0.947919 0.545733 C\n0.250000 0.582713 0.678995 S\n0.750000 0.417286 0.321005 S\n0.250000 0.917286 0.178995 S\n0.750000 0.082713 0.821005 S\n0.250000 0.502581 0.840262 N\n0.750000 0.497418 0.159739 N\n0.250000 -0.002581 0.340261 N\n0.750000 0.002581 0.659739 N\n0.521838 0.584139 0.678160 F\n0.250000 0.775214 0.738547 F\n0.978163 0.915860 0.178160 F\n0.021838 0.415860 0.321840 F\n0.978163 0.584139 0.678160 F\n0.250000 0.724785 0.238547 F\n0.478162 0.084140 0.821840 F\n0.021838 0.084140 0.821840 F\n0.250000 0.391332 0.617760 F\n0.750000 0.891331 0.882240 F\n0.750000 0.224785 0.261453 F\n0.250000 0.658171 0.525494 F\n0.250000 0.841828 0.025494 F\n0.750000 0.275214 0.761454 F\n0.750000 0.608668 0.382240 F\n0.250000 0.108668 0.117760 F\n0.521838 0.915860 0.178160 F\n0.750000 0.158172 0.974506 F\n0.750000 0.341828 0.474506 F\n0.478162 0.415860 0.321840 F\n",
"nsites": 32,
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"elements": [
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],
"chemical_system": "C-F-N-S",
"density": 2.304915798824712,
"density_atomic": 0.07254263774694823,
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"formula_full": "C4 S4 N4 F20",
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},
{
"id": "jvasp-32778",
"created_at": "2022-09-04T14:36:46.193638Z",
"updated_at": "2022-09-04T14:36:46.193658Z",
"structure_string": "Bi4 Se4 Br4\n1.0\n4.149688 -0.000000 0.000000\n-0.000000 8.295876 0.000000\n0.000000 0.000000 10.589071\nBi Se Br\n4 4 4\ndirect\n0.250000 0.866637 0.133380 Bi\n0.250000 0.366637 0.366620 Bi\n0.750000 0.633364 0.633380 Bi\n0.750000 0.133363 0.866620 Bi\n0.750000 0.316556 0.549251 Se\n0.250000 0.183444 0.049251 Se\n0.250000 0.683444 0.450749 Se\n0.750000 0.816556 0.950749 Se\n0.750000 0.020281 0.313280 Br\n0.750000 0.520281 0.186720 Br\n0.250000 0.979720 0.686720 Br\n0.250000 0.479720 0.813280 Br\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "Bi-Br-Se",
"density": 6.702513238669137,
"density_atomic": 0.03291892836996657,
"volume": 364.53191504703244,
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"formula_full": "Bi4 Se4 Br4",
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"formula_anonymous": "ABC",
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"spacegroup": 62
},
{
"id": "jvasp-12406",
"created_at": "2022-09-04T14:36:46.789737Z",
"updated_at": "2022-09-04T14:36:46.789758Z",
"structure_string": "Er4 Si4 Rh4\n1.0\n4.229817 0.000000 0.000000\n-0.000000 6.839622 0.000000\n0.000000 0.000000 7.366762\nEr Si Rh\n4 4 4\ndirect\n0.250000 0.499455 0.690335 Er\n0.750001 0.500545 0.309665 Er\n0.250000 -0.000545 0.809665 Er\n0.750001 0.000545 0.190335 Er\n0.250000 0.294408 0.104345 Si\n0.750001 0.705592 0.895655 Si\n0.250000 0.794408 0.395655 Si\n0.750001 0.205592 0.604345 Si\n0.750001 0.843486 0.570219 Rh\n0.250000 0.156513 0.429781 Rh\n0.750001 0.343486 0.929781 Rh\n0.250000 0.656513 0.070219 Rh\n",
"nsites": 12,
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"elements": [
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"density": 9.295210365737873,
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{
"id": "jvasp-104109",
"created_at": "2022-09-04T14:36:46.900095Z",
"updated_at": "2022-09-04T14:36:46.900120Z",
"structure_string": "H12 C20 N4\n1.0\n7.154170 0.000000 -0.000478\n0.000000 3.726108 0.000000\n0.000583 0.000000 12.143897\nH C N\n12 20 4\ndirect\n0.760943 0.171825 0.306340 H\n0.959368 0.536881 0.371852 H\n0.260930 0.671868 0.274367 H\n0.260929 0.328133 0.774367 H\n0.562494 0.536838 0.371849 H\n0.562494 0.463163 0.871849 H\n0.959368 0.463120 0.871852 H\n0.459381 0.036752 0.208858 H\n0.062498 0.963283 0.708865 H\n0.062498 0.036717 0.208865 H\n0.760943 0.828176 0.806340 H\n0.459381 0.963248 0.708859 H\n0.422939 0.299392 0.511382 C\n0.098926 0.299421 0.511386 C\n0.098926 0.700580 0.011386 C\n0.093365 0.468746 0.408302 C\n0.093365 0.531255 0.908303 C\n0.260929 0.549136 0.355839 C\n0.260929 0.450865 0.855839 C\n0.428497 0.468711 0.408298 C\n0.428497 0.531289 0.908298 C\n0.422939 0.700609 0.011382 C\n0.760942 0.951048 0.724888 C\n0.922942 0.799134 0.069353 C\n0.928503 0.031496 0.672429 C\n0.928503 0.968504 0.172429 C\n0.760942 0.048953 0.224888 C\n0.593375 0.031486 0.672428 C\n0.593376 0.968515 0.172428 C\n0.598928 0.200864 0.569353 C\n0.598928 0.799137 0.069353 C\n0.922942 0.200866 0.569353 C\n0.260934 0.782798 0.061735 N\n0.760933 0.716917 0.019005 N\n0.760933 0.283083 0.519005 N\n0.260934 0.217203 0.561735 N\n",
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},
{
"id": "jvasp-55753",
"created_at": "2022-09-04T14:36:47.075312Z",
"updated_at": "2022-09-04T14:36:47.075340Z",
"structure_string": "Dy4 Co4 O12\n1.0\n5.132540 0.000000 0.000000\n0.000000 5.503390 0.000000\n0.000000 0.000000 7.378034\nDy Co O\n4 4 12\ndirect\n0.021510 0.924405 0.750000 Dy\n0.521510 0.575595 0.250000 Dy\n0.478490 0.424405 0.750000 Dy\n0.978490 0.075595 0.250000 Dy\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.500000 0.000000 0.000000 Co\n0.601381 0.027770 0.750000 O\n0.101381 0.472230 0.250000 O\n0.690234 0.302054 0.049996 O\n0.190234 0.197946 0.950003 O\n0.809766 0.802054 0.450003 O\n0.190234 0.197946 0.549996 O\n0.309766 0.697946 0.950003 O\n0.809766 0.802054 0.049996 O\n0.898619 0.527770 0.750000 O\n0.690234 0.302054 0.450003 O\n0.309766 0.697946 0.549996 O\n0.398619 0.972230 0.250000 O\n",
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{
"id": "jvasp-12332",
"created_at": "2022-09-04T14:36:48.140872Z",
"updated_at": "2022-09-04T14:36:48.140897Z",
"structure_string": "Zr4 Ni4 Sb4\n1.0\n4.178514 0.000000 0.000000\n0.000000 6.783137 0.000000\n0.000000 0.000000 7.677549\nZr Ni Sb\n4 4 4\ndirect\n0.749999 0.998696 0.806675 Zr\n0.250000 0.001304 0.193325 Zr\n0.749999 0.498696 0.693325 Zr\n0.250000 0.501304 0.306675 Zr\n0.250000 0.681267 0.911798 Ni\n0.749999 0.318733 0.088202 Ni\n0.250000 0.181267 0.588202 Ni\n0.749999 0.818733 0.411798 Ni\n0.250000 0.791853 0.593339 Sb\n0.749999 0.208148 0.406661 Sb\n0.250000 0.291852 0.906662 Sb\n0.749999 0.708148 0.093339 Sb\n",
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"volume": 217.6080950593672,
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"formula_full": "Zr4 Ni4 Sb4",
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"spacegroup": 62
},
{
"id": "jvasp-14688",
"created_at": "2022-09-04T14:36:48.969045Z",
"updated_at": "2022-09-04T14:36:48.969077Z",
"structure_string": "Si4 Pd4\n1.0\n3.502011 -0.000000 0.000000\n0.000000 5.664107 0.000000\n0.000000 0.000000 6.165921\nSi Pd\n4 4\ndirect\n0.250000 0.679742 0.075027 Si\n0.750000 0.320259 0.924973 Si\n0.250000 0.179742 0.424973 Si\n0.750000 0.820259 0.575027 Si\n0.250000 0.502331 0.691953 Pd\n0.750000 0.497670 0.308047 Pd\n0.250000 0.002330 0.808047 Pd\n0.750000 0.997670 0.191953 Pd\n",
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{
"id": "jvasp-32740",
"created_at": "2022-09-04T14:36:48.152841Z",
"updated_at": "2022-09-04T14:36:48.152865Z",
"structure_string": "B4 H32 C4 N4\n1.0\n4.900170 0.000000 0.000000\n-0.000000 6.449533 0.000000\n0.000000 0.000000 10.741604\nB H C N\n4 32 4 4\ndirect\n0.816784 0.250000 0.470598 B\n0.683216 0.250000 0.970597 B\n0.183216 0.750000 0.529402 B\n0.316784 0.750000 0.029402 B\n0.120859 0.250000 0.762345 H\n0.316039 0.750000 0.915446 H\n0.226059 0.121982 0.461202 H\n0.794120 0.404723 0.927823 H\n0.294120 0.904723 0.572176 H\n0.205880 0.904723 0.072177 H\n0.816039 0.250000 0.584554 H\n0.205880 0.595277 0.072177 H\n0.705880 0.095277 0.427823 H\n0.794120 0.095277 0.927823 H\n0.437392 0.111718 0.748585 H\n0.937392 0.888282 0.751414 H\n0.726059 0.621982 0.038798 H\n0.726059 0.878017 0.038798 H\n0.273941 0.121982 0.961201 H\n0.273941 0.378017 0.961201 H\n0.773941 0.621982 0.538798 H\n0.062608 0.388282 0.248586 H\n0.294120 0.595277 0.572176 H\n0.379141 0.250000 0.262345 H\n0.226059 0.378017 0.461202 H\n0.562608 0.611717 0.251414 H\n0.937392 0.611717 0.751414 H\n0.183961 0.750000 0.415446 H\n0.620859 0.750000 0.737654 H\n0.562608 0.888282 0.251414 H\n0.879141 0.750000 0.237655 H\n0.773941 0.878017 0.538798 H\n0.437392 0.388282 0.748585 H\n0.705880 0.404723 0.427823 H\n0.683961 0.250000 0.084554 H\n0.062608 0.111718 0.248586 H\n0.838356 0.750000 0.712818 C\n0.661644 0.750000 0.212818 C\n0.338356 0.250000 0.787182 C\n0.161644 0.250000 0.287182 C\n0.627127 0.750000 0.075438 N\n0.127127 0.250000 0.424562 N\n0.872873 0.750000 0.575438 N\n0.372873 0.250000 0.924562 N\n",
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}
]
}