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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=3459",
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"results": [
{
"id": "jvasp-48261",
"created_at": "2022-09-04T14:36:13.788488Z",
"updated_at": "2022-09-04T14:36:13.788516Z",
"structure_string": "Li3 Fe3 O8\n1.0\n5.634816 -0.001822 -0.003520\n-2.815808 4.880844 0.001443\n-2.814958 -1.625490 4.774720\nLi Fe O\n3 3 8\ndirect\n0.000580 0.000373 0.000926 Li\n0.241574 0.620858 0.862412 Li\n0.759590 0.379889 0.139444 Li\n0.500585 0.500376 0.500928 Fe\n0.500585 0.000374 0.500928 Fe\n0.000580 0.000373 0.500929 Fe\n0.502398 0.751288 0.712946 O\n0.961655 0.751254 0.712900 O\n0.961674 0.210568 0.712934 O\n0.477134 0.238658 0.715774 O\n0.498764 0.249458 0.288906 O\n0.039507 0.249492 0.288951 O\n0.039487 0.790177 0.288918 O\n0.524034 0.762091 0.286086 O\n",
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{
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"updated_at": "2022-09-04T14:36:19.121655Z",
"structure_string": "Ti8 O13\n1.0\n6.485873 -0.003506 -0.002804\n1.826584 6.223354 -0.002804\n1.826584 1.366753 6.071420\nTi O\n8 13\ndirect\n0.058797 0.316845 0.875036 Ti\n0.277167 0.277167 0.277167 Ti\n0.316845 0.875035 0.058799 Ti\n0.124963 0.941201 0.683155 Ti\n0.875036 0.058797 0.316847 Ti\n0.683153 0.124963 0.941203 Ti\n0.722832 0.722831 0.722834 Ti\n0.941201 0.683153 0.124965 Ti\n0.741588 0.419329 0.828974 O\n0.795893 0.041055 0.643557 O\n0.643556 0.795892 0.041057 O\n0.419329 0.828972 0.741590 O\n0.580669 0.171026 0.258412 O\n0.041055 0.643556 0.795894 O\n0.204106 0.958943 0.356444 O\n0.258411 0.580669 0.171027 O\n0.958944 0.356442 0.204108 O\n0.171026 0.258411 0.580670 O\n0.000000 0.000000 0.000000 O\n0.356442 0.204106 0.958945 O\n0.828972 0.741588 0.419331 O\n",
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"elements": [
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{
"id": "jvasp-78553",
"created_at": "2022-09-04T14:37:08.964325Z",
"updated_at": "2022-09-04T14:37:08.964346Z",
"structure_string": "Mg1 Zn1\n1.0\n3.113675 -0.000000 -0.000000\n-1.556838 2.696522 -0.000000\n-0.000000 0.000000 4.433251\nMg Zn\n1 1\ndirect\n0.333333 0.666667 0.500000 Mg\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 2,
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"elements": [
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],
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"density": 4.002301022006806,
"density_atomic": 0.05373168095669823,
"volume": 37.22198830168328,
"volume_molar": 11.207802645990503,
"formula_full": "Mg1 Zn1",
"formula_reduced": "MgZn",
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"spacegroup": 187
},
{
"id": "jvasp-106465",
"created_at": "2022-09-04T14:36:50.185745Z",
"updated_at": "2022-09-04T14:36:50.185767Z",
"structure_string": "Rb2 Li1 Ti1 F6\n1.0\n5.059018 -0.000000 2.920825\n1.686339 4.769688 2.920825\n-0.000000 -0.000000 5.841651\nRb Li Ti F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750001 Rb\n0.500000 0.500000 0.500001 Li\n0.000000 0.000000 0.000000 Ti\n0.241949 0.241949 0.758052 F\n0.241949 0.758052 0.758052 F\n0.758052 0.758052 0.241949 F\n0.241949 0.758052 0.241949 F\n0.758052 0.241949 0.758052 F\n0.758052 0.241949 0.241949 F\n",
"nsites": 10,
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"elements": [
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"Ti",
"F"
],
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"density": 4.002177363571968,
"density_atomic": 0.07094277898633565,
"volume": 140.95867321360655,
"volume_molar": 8.488729714351802,
"formula_full": "Rb2 Li1 Ti1 F6",
"formula_reduced": "Rb2LiTiF6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
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{
"id": "jvasp-93324",
"created_at": "2022-09-04T14:35:42.275315Z",
"updated_at": "2022-09-04T14:35:42.275339Z",
"structure_string": "Mg4 Cd2\n1.0\n3.250074 0.000000 -0.000000\n-1.625037 2.814647 -0.000000\n-0.000000 -0.000000 14.606751\nMg Cd\n4 2\ndirect\n0.333332 0.666668 0.913650 Mg\n0.333332 0.666668 0.586350 Mg\n0.666666 0.333333 0.413650 Mg\n0.666666 0.333333 0.086350 Mg\n0.666666 0.333333 0.750000 Cd\n0.333332 0.666668 0.250000 Cd\n",
"nsites": 6,
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"elements": [
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{
"id": "jvasp-108750",
"created_at": "2022-09-04T14:38:12.804532Z",
"updated_at": "2022-09-04T14:38:12.804565Z",
"structure_string": "Mo1 Cl2 O1\n1.0\n3.591869 0.174144 -5.731945\n-0.267545 3.252295 -5.927735\n0.029027 -0.174144 6.764309\nMo Cl O\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mo\n0.852623 0.352621 0.500001 Cl\n0.147379 0.647377 0.500001 Cl\n0.500001 0.000000 0.500001 O\n",
"nsites": 4,
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"formula_full": "Mo1 Cl2 O1",
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},
{
"id": "jvasp-43624",
"created_at": "2022-09-04T14:35:49.082059Z",
"updated_at": "2022-09-04T14:35:49.082075Z",
"structure_string": "Rb16 O8\n1.0\n6.688122 0.000000 0.000000\n-0.000000 6.945517 0.000000\n0.000000 0.000000 13.358731\nRb O\n16 8\ndirect\n-0.000918 0.261563 0.023274 Rb\n0.000918 0.738438 0.976726 Rb\n0.500917 0.761563 0.976726 Rb\n0.173329 0.102523 0.801839 Rb\n0.673329 0.397477 0.801839 Rb\n0.673329 0.897477 0.698161 Rb\n0.000918 0.238438 0.523274 Rb\n0.500917 0.261563 0.523274 Rb\n0.173329 0.602524 0.698161 Rb\n-0.000918 0.761563 0.476726 Rb\n0.826671 0.397477 0.301839 Rb\n0.326671 0.102523 0.301839 Rb\n0.326671 0.602524 0.198161 Rb\n0.826671 0.897477 0.198161 Rb\n0.499082 0.238438 0.023274 Rb\n0.499082 0.738438 0.476726 Rb\n0.268546 0.465812 0.885406 O\n0.231453 0.965812 0.114594 O\n0.731453 0.534188 0.114594 O\n0.731453 0.034188 0.385406 O\n0.231453 0.465812 0.385406 O\n0.268546 0.965812 0.614594 O\n0.768546 0.534188 0.614594 O\n0.768546 0.034188 0.885406 O\n",
"nsites": 24,
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"density_atomic": 0.038675618866083686,
"volume": 620.5459848774814,
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"formula_full": "Rb16 O8",
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"spacegroup": 61
},
{
"id": "jvasp-20338",
"created_at": "2022-09-04T14:38:27.905385Z",
"updated_at": "2022-09-04T14:38:27.905418Z",
"structure_string": "V6 S8\n1.0\n4.549173 -7.879399 0.000000\n4.549173 7.879399 0.000000\n-0.000000 -0.000000 3.253908\nV S\n6 8\ndirect\n0.116745 0.488331 0.250000 V\n0.488330 0.371584 0.750000 V\n0.628415 0.116745 0.750000 V\n0.371584 0.883255 0.250000 V\n0.511669 0.628415 0.250000 V\n0.883255 0.511669 0.750000 V\n0.666667 0.333333 0.250000 S\n0.333333 0.666667 0.750000 S\n0.293188 0.345232 0.250000 S\n0.345232 0.052043 0.750000 S\n0.947956 0.293188 0.750000 S\n0.052043 0.706811 0.250000 S\n0.706811 0.654768 0.750000 S\n0.654767 0.947956 0.250000 S\n",
"nsites": 14,
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"volume": 233.2710322753213,
"volume_molar": 10.034221368517771,
"formula_full": "V6 S8",
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"formula_anonymous": "A3B4",
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"spacegroup": 176
},
{
"id": "jvasp-114619",
"created_at": "2022-09-04T14:38:42.719447Z",
"updated_at": "2022-09-04T14:38:42.719471Z",
"structure_string": "Ag1 Cl1 O1\n1.0\n4.994666 -1.826420 0.000000\n-1.990966 4.655095 0.000000\n0.000000 0.000000 3.370604\nAg Cl O\n1 1 1\ndirect\n0.089166 0.094594 0.000000 Ag\n0.381974 -0.104553 0.000000 Cl\n-0.181576 0.256218 0.000000 O\n",
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"volume": 66.11205354720283,
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"formula_full": "Ag1 Cl1 O1",
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"spacegroup": 6
},
{
"id": "jvasp-43300",
"created_at": "2022-09-04T14:36:14.909834Z",
"updated_at": "2022-09-04T14:36:14.909858Z",
"structure_string": "Li2 Ti3 Fe1 O8\n1.0\n5.730276 -0.142466 -0.100739\n2.741758 5.033798 -0.100739\n2.741758 1.582956 4.779490\nLi Ti Fe O\n2 3 1 8\ndirect\n0.120506 0.120505 0.120505 Li\n0.879496 0.879495 0.879494 Li\n-0.000000 0.500001 0.500000 Ti\n0.500001 0.000000 0.500000 Ti\n0.500001 0.500000 -0.000000 Ti\n0.500001 0.500000 0.500000 Fe\n0.259037 0.259037 0.259037 O\n0.260101 0.260101 0.717150 O\n0.260101 0.717151 0.260101 O\n0.717151 0.260101 0.260101 O\n0.282850 0.739900 0.739899 O\n0.739900 0.282850 0.739899 O\n0.739900 0.739899 0.282849 O\n0.740964 0.740964 0.740963 O\n",
"nsites": 14,
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"formula_full": "Li2 Ti3 Fe1 O8",
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{
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"created_at": "2022-09-04T14:38:51.282040Z",
"updated_at": "2022-09-04T14:38:51.282062Z",
"structure_string": "Ti4 V4 O16\n1.0\n5.340174 0.000230 -0.021803\n-2.659202 9.476366 2.680644\n0.022171 0.000086 5.340169\nTi V O\n4 4 16\ndirect\n0.874986 0.249967 0.619673 Ti\n0.375007 0.250009 0.130293 Ti\n0.630327 0.749968 0.375009 Ti\n0.119707 0.750012 0.874991 Ti\n0.748461 0.496839 0.751590 V\n0.498411 0.996838 0.501541 V\n0.251559 0.503175 0.248444 V\n0.001555 0.003175 0.998443 V\n0.854138 0.708192 0.645883 O\n0.352189 0.704466 0.147807 O\n0.145940 0.291825 0.354113 O\n0.647751 0.295534 0.852189 O\n0.397812 0.795534 0.602249 O\n0.895885 0.791824 0.104060 O\n0.015598 0.537170 0.978299 O\n0.228490 0.962822 0.771783 O\n0.271701 0.037168 0.234403 O\n0.765452 0.037181 0.728430 O\n0.102193 0.204465 0.897809 O\n0.734326 0.962826 0.265394 O\n0.478217 0.462822 0.021507 O\n0.984603 0.462825 0.515675 O\n0.521571 0.537182 0.484545 O\n0.604116 0.208192 0.395862 O\n",
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{
"id": "jvasp-79083",
"created_at": "2022-09-04T14:36:38.361727Z",
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"structure_string": "Li1 Mg2 Pd1\n1.0\n0.000000 3.227126 3.227126\n3.227126 0.000000 3.227126\n3.227126 3.227126 0.000000\nLi Mg Pd\n1 2 1\ndirect\n0.249999 0.249999 0.249999 Li\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.750001 0.750001 0.750001 Pd\n",
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],
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"volume": 67.21678910131912,
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"formula_full": "Li1 Mg2 Pd1",
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}
]
}