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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=665",
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"results": [
{
"id": "jvasp-29333",
"created_at": "2022-09-04T14:36:36.008700Z",
"updated_at": "2022-09-04T14:36:36.008725Z",
"structure_string": "Tl4 Cu4 P4 O16\n1.0\n4.852992 -0.037372 -0.176983\n-0.183557 4.849663 -0.176983\n0.021164 0.021811 17.945638\nTl Cu P O\n4 4 4 16\ndirect\n0.187185 0.786233 0.063033 Tl\n0.213765 0.812813 0.436967 Tl\n0.812813 0.213766 0.936967 Tl\n0.786233 0.187186 0.563033 Tl\n0.166759 0.328849 0.249235 Cu\n0.671150 0.833241 0.250765 Cu\n0.833240 0.671151 0.750765 Cu\n0.328848 0.166759 0.749235 Cu\n0.306067 0.642022 0.644439 P\n0.357976 0.693931 0.855561 P\n0.693931 0.357978 0.355561 P\n0.642022 0.306068 0.144439 P\n0.753607 0.048666 0.342474 O\n0.951334 0.246392 0.157526 O\n0.616484 0.584560 0.659554 O\n0.415439 0.383514 0.840447 O\n0.383514 0.415440 0.340447 O\n0.584559 0.616485 0.159554 O\n0.782612 0.460740 0.434045 O\n0.862876 0.524486 0.295196 O\n0.217386 0.539260 0.565956 O\n0.460738 0.782613 0.934045 O\n0.137122 0.475514 0.704804 O\n0.524484 0.862876 0.795196 O\n0.048664 0.753607 0.842474 O\n0.475514 0.137123 0.204804 O\n0.539260 0.217387 0.065956 O\n0.246391 0.951334 0.657526 O\n",
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{
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"structure_string": "H4 C8 S2\n1.0\n4.175146 0.114375 -0.023590\n-0.227783 5.894868 -3.290837\n-0.013450 -0.215674 6.736595\nH C S\n4 8 2\ndirect\n0.324618 0.018540 0.110350 H\n0.156781 0.457083 0.353024 H\n0.825129 0.118476 0.014368 H\n0.656286 0.357115 0.449012 H\n0.901740 0.274015 0.015880 C\n0.080097 0.454790 0.196681 C\n0.829406 0.310794 0.835716 C\n0.329335 0.841697 0.304521 C\n0.152207 0.633837 0.158769 C\n0.652129 0.164731 0.627590 C\n0.401378 0.020784 0.266656 C\n0.579733 0.201552 0.447464 C\n0.490866 0.901035 0.569240 S\n0.990742 0.574460 0.894026 S\n",
"nsites": 14,
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"density_atomic": 0.08588173406193779,
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},
{
"id": "jvasp-22604",
"created_at": "2022-09-04T14:36:36.979884Z",
"updated_at": "2022-09-04T14:36:36.979908Z",
"structure_string": "Cr4 F10\n1.0\n4.735514 -0.290811 1.983051\n-0.705039 4.691757 1.983051\n-0.136611 -0.149167 7.228574\nCr F\n4 10\ndirect\n0.000000 -0.000000 0.500000 Cr\n0.499999 0.500000 -0.000000 Cr\n0.500000 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.688706 0.185634 0.547175 F\n0.314366 0.811293 0.952824 F\n0.311293 0.814367 0.452824 F\n0.685633 0.188707 0.047175 F\n0.161389 0.338611 0.750000 F\n0.838610 0.661389 0.250000 F\n0.872882 0.820404 0.841283 F\n0.679596 0.627118 0.658716 F\n0.127118 0.179596 0.158716 F\n0.320403 0.372882 0.341283 F\n",
"nsites": 14,
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"volume": 162.08065713599254,
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},
{
"id": "jvasp-2436",
"created_at": "2022-09-04T14:36:39.924436Z",
"updated_at": "2022-09-04T14:36:39.924446Z",
"structure_string": "Na2 Sb2 S4\n1.0\n5.316491 -0.027411 -2.320904\n-1.036014 5.214644 -2.320904\n0.027795 0.033684 6.900493\nNa Sb S\n2 2 4\ndirect\n0.632386 0.367612 0.750000 Na\n0.367613 0.632386 0.250000 Na\n0.896714 0.103286 0.250000 Sb\n0.103286 0.896713 0.750000 Sb\n0.678269 0.869074 0.759374 S\n0.130925 0.321730 0.740625 S\n0.321730 0.130925 0.240625 S\n0.869075 0.678269 0.259375 S\n",
"nsites": 8,
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],
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"formula_full": "Na2 Sb2 S4",
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{
"id": "jvasp-21356",
"created_at": "2022-09-04T14:36:37.995727Z",
"updated_at": "2022-09-04T14:36:37.995753Z",
"structure_string": "Zn2 Co2 Si4 O12\n1.0\n5.139354 0.119213 1.187678\n1.425886 6.517269 0.541967\n0.158268 -0.094220 6.690871\nZn Co Si O\n2 2 4 12\ndirect\n0.750000 0.242086 0.757914 Zn\n0.250002 0.757914 0.242087 Zn\n0.249999 0.092652 0.907349 Co\n0.749999 0.907349 0.092652 Co\n0.239923 0.217272 0.390771 Si\n0.260077 0.609229 0.782729 Si\n0.739923 0.390770 0.217272 Si\n0.760078 0.782728 0.609230 Si\n0.647656 0.961311 0.788690 O\n0.852345 0.211309 0.038690 O\n0.626020 0.623457 0.136653 O\n0.873979 0.863348 0.376544 O\n0.373980 0.376542 0.863348 O\n0.010712 0.609956 0.675316 O\n0.989287 0.390044 0.324685 O\n0.510713 0.675316 0.609957 O\n0.352344 0.038689 0.211311 O\n0.489289 0.324685 0.390044 O\n0.126021 0.136651 0.623457 O\n0.147657 0.788690 0.961311 O\n",
"nsites": 20,
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"elements": [
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"O"
],
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"density_atomic": 0.09014757785177982,
"volume": 221.85842899610566,
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"formula_full": "Zn2 Co2 Si4 O12",
"formula_reduced": "ZnCo(SiO3)2",
"formula_anonymous": "ABC2D6",
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"spacegroup": 15
},
{
"id": "jvasp-52840",
"created_at": "2022-09-04T14:36:38.453664Z",
"updated_at": "2022-09-04T14:36:38.453690Z",
"structure_string": "Rb2 Ca2 H12 N6\n1.0\n3.302325 5.890693 -1.182012\n-3.302325 5.890693 1.182012\n-0.087098 0.000000 6.616539\nRb Ca H N\n2 2 12 6\ndirect\n0.710905 0.710906 0.750000 Rb\n0.289094 0.289094 0.250000 Rb\n-0.000000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.362724 0.652834 0.396257 H\n0.652834 0.362724 0.103743 H\n0.637276 0.347166 0.603743 H\n0.347166 0.637276 0.896257 H\n0.524833 0.206831 0.697161 H\n0.206831 0.524833 0.802839 H\n0.793168 0.475167 0.197161 H\n0.333061 0.098098 0.828247 H\n0.098098 0.333061 0.671753 H\n0.666938 0.901902 0.171753 H\n0.901902 0.666939 0.328247 H\n0.475166 0.793169 0.302839 H\n0.179351 0.672558 0.842697 N\n0.161027 0.161028 0.750000 N\n0.838972 0.838972 0.250000 N\n0.820648 0.327442 0.157303 N\n0.327442 0.820648 0.342697 N\n0.672558 0.179351 0.657303 N\n",
"nsites": 22,
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"elements": [
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],
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"density": 2.250436280907033,
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"volume": 256.2099341417712,
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"formula_full": "Rb2 Ca2 H12 N6",
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},
{
"id": "jvasp-11168",
"created_at": "2022-09-04T14:36:38.943363Z",
"updated_at": "2022-09-04T14:36:38.943387Z",
"structure_string": "Sm2 Nb2 O8\n1.0\n4.852592 0.017321 -1.837186\n-1.233442 4.882375 -2.057569\n-0.022270 0.000912 6.691320\nSm Nb O\n2 2 8\ndirect\n0.378818 0.628817 0.757635 Sm\n0.621182 0.371181 0.242364 Sm\n0.855897 0.105897 0.711796 Nb\n0.144102 0.894101 0.288203 Nb\n0.986986 0.787197 0.563932 O\n0.576948 0.276735 0.563933 O\n0.013014 0.212801 0.436066 O\n0.423052 0.723264 0.436066 O\n0.205748 0.365692 0.919139 O\n0.713392 0.053447 0.919138 O\n0.794252 0.634306 0.080860 O\n0.286608 0.946552 0.080860 O\n",
"nsites": 12,
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"elements": [
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],
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},
{
"id": "jvasp-103851",
"created_at": "2022-09-04T14:36:39.443471Z",
"updated_at": "2022-09-04T14:36:39.443496Z",
"structure_string": "H12 C14 N4 O2\n1.0\n4.689766 0.000247 0.000267\n-2.345739 6.750256 -0.585042\n-0.000294 -0.245287 8.801878\nH C N O\n12 14 4 2\ndirect\n0.411078 0.993222 0.675757 H\n0.379656 0.320046 0.312823 H\n0.818122 0.045144 0.863478 H\n0.024273 0.785279 0.935014 H\n0.921605 0.579892 0.741253 H\n0.097282 0.993194 0.175736 H\n0.100492 0.371995 0.000563 H\n0.742257 0.045130 0.363458 H\n0.786738 0.371972 0.500538 H\n0.276204 0.785301 0.435028 H\n0.173505 0.579913 0.241267 H\n0.455561 0.320063 0.812838 H\n0.878409 0.289317 0.038014 C\n0.476747 0.261790 0.214250 C\n0.319366 0.075871 0.138284 C\n0.349608 0.682594 0.838151 C\n0.760510 0.370587 0.164723 C\n0.437262 0.994602 0.011572 C\n0.721027 0.103399 0.962048 C\n0.125278 0.370584 0.664720 C\n0.271685 0.075886 0.638294 C\n0.848183 0.682590 0.338151 C\n0.072536 0.994606 0.511574 C\n0.926126 0.289303 0.538002 C\n0.897590 0.103390 0.462038 C\n0.300225 0.261801 0.714257 C\n0.944608 0.552276 0.243034 N\n0.074940 0.812924 0.433263 N\n0.122865 0.552265 0.743027 N\n0.253169 0.812913 0.933257 N\n0.580790 0.682569 0.338159 O\n0.616993 0.682604 0.838164 O\n",
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"volume": 277.97437514883154,
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"formula_full": "H12 C14 N4 O2",
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},
{
"id": "jvasp-7816",
"created_at": "2022-09-04T14:36:39.640245Z",
"updated_at": "2022-09-04T14:36:39.640264Z",
"structure_string": "Ca2 C4\n1.0\n3.764017 0.006832 0.966895\n1.476924 3.462161 0.966895\n-0.043238 -0.028620 7.359972\nCa C\n2 4\ndirect\n0.824850 0.175151 0.249999 Ca\n0.175150 0.824848 0.749999 Ca\n0.141894 0.423071 0.439781 C\n0.576929 0.858105 0.060218 C\n0.423071 0.141894 0.939781 C\n0.858106 0.576928 0.560218 C\n",
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"spacegroup": 15
},
{
"id": "jvasp-48572",
"created_at": "2022-09-04T14:36:39.695678Z",
"updated_at": "2022-09-04T14:36:39.695717Z",
"structure_string": "Li4 Mn4 F14\n1.0\n3.134847 4.343781 0.165748\n-3.134847 4.343781 -0.165748\n-2.200929 0.000000 9.297025\nLi Mn F\n4 4 14\ndirect\n0.188514 0.752669 0.704346 Li\n0.247331 0.811485 0.204346 Li\n0.752669 0.188515 0.795654 Li\n0.811485 0.247331 0.295654 Li\n0.301717 0.292051 0.038508 Mn\n0.292051 0.301717 0.461491 Mn\n0.707949 0.698283 0.538508 Mn\n0.698282 0.707949 0.961491 Mn\n0.598280 0.363319 0.128224 F\n0.953697 0.328551 0.929894 F\n0.162987 0.162988 0.250000 F\n0.490525 0.119940 0.884072 F\n0.636681 0.401720 0.628224 F\n0.363318 0.598281 0.371776 F\n0.401719 0.636681 0.871775 F\n0.837012 0.837012 0.750000 F\n0.046303 0.671449 0.070106 F\n0.880060 0.509475 0.384073 F\n0.119939 0.490525 0.615927 F\n0.328550 0.953697 0.570106 F\n0.509475 0.880060 0.115927 F\n0.671449 0.046303 0.429894 F\n",
"nsites": 22,
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],
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"density_atomic": 0.08581479501742818,
"volume": 256.3660496483387,
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"formula_full": "Li4 Mn4 F14",
"formula_reduced": "Li2Mn2F7",
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},
{
"id": "jvasp-57692",
"created_at": "2022-09-04T14:36:39.788516Z",
"updated_at": "2022-09-04T14:36:39.788532Z",
"structure_string": "B4 Pd10\n1.0\n4.672687 0.000000 -1.810314\n-0.246056 5.473679 -0.635107\n0.004067 -0.000621 6.946099\nB Pd\n4 10\ndirect\n0.587947 0.421911 0.770825 B\n0.817123 0.078089 0.229176 B\n0.412053 0.578089 0.229176 B\n0.182877 0.921911 0.770824 B\n0.004396 0.420106 0.192060 Pd\n0.812338 0.079895 0.807941 Pd\n0.358108 0.685958 0.575586 Pd\n0.782522 0.814042 0.424414 Pd\n0.641892 0.314042 0.424415 Pd\n0.217479 0.185958 0.575586 Pd\n0.187663 0.920106 0.192060 Pd\n0.995605 0.579895 0.807941 Pd\n0.430611 0.250000 0.000000 Pd\n0.569389 0.750000 -0.000000 Pd\n",
"nsites": 14,
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],
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"volume": 177.6970871375075,
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"formula_full": "B4 Pd10",
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},
{
"id": "jvasp-51767",
"created_at": "2022-09-04T14:36:40.338208Z",
"updated_at": "2022-09-04T14:36:40.338232Z",
"structure_string": "Mn2 H4 S2 O10\n1.0\n3.069704 3.946828 -1.607439\n-3.069704 3.946828 1.607439\n0.115112 0.000000 7.809456\nMn H S O\n2 4 2 10\ndirect\n0.500000 0.500000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.414052 0.149789 0.790717 H\n0.149789 0.414052 0.709283 H\n0.585948 0.850211 0.209283 H\n0.850211 0.585948 0.290717 H\n0.841488 0.841489 0.750000 S\n0.158512 0.158512 0.250000 S\n0.377316 0.162601 0.163127 O\n0.162601 0.377316 0.336873 O\n0.622684 0.837399 0.836873 O\n0.837399 0.622685 0.663127 O\n0.113176 0.782077 0.899446 O\n0.886824 0.217924 0.100554 O\n0.782076 0.113177 0.600554 O\n0.354442 0.354442 0.750000 O\n0.217924 0.886824 0.399446 O\n0.645558 0.645558 0.250000 O\n",
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"volume": 190.69299853926097,
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"formula_full": "Mn2 H4 S2 O10",
"formula_reduced": "MnH2SO5",
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"spacegroup": 15
}
]
}