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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=1252",
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"results": [
{
"id": "jvasp-58877",
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"structure_string": "Sb10 I2 O14\n1.0\n3.415367 -5.915590 -0.000000\n3.415367 5.915590 0.000000\n-0.000000 -0.000000 12.543174\nSb I O\n10 2 14\ndirect\n0.666667 0.333333 0.043844 Sb\n0.679405 0.035074 0.750000 Sb\n0.355668 0.320595 0.750000 Sb\n0.035074 0.679405 0.250000 Sb\n0.320595 0.355668 0.250000 Sb\n0.964927 0.644333 0.750000 Sb\n0.333333 0.666667 0.543844 Sb\n0.333333 0.666667 0.956156 Sb\n0.666667 0.333333 0.456156 Sb\n0.644333 0.964927 0.250000 Sb\n0.000000 0.000000 0.500000 I\n0.000000 0.000000 0.000000 I\n0.056678 0.500443 0.863049 O\n0.443764 0.943322 0.863049 O\n0.056678 0.500443 0.636951 O\n0.499558 0.556237 0.636951 O\n0.499558 0.556237 0.863049 O\n0.943322 0.443764 0.136951 O\n0.556237 0.499558 0.363049 O\n0.500443 0.056678 0.136951 O\n0.443764 0.943322 0.636951 O\n0.500443 0.056678 0.363049 O\n0.943322 0.443764 0.363049 O\n0.666667 0.333333 0.750000 O\n0.556237 0.499558 0.136951 O\n0.333333 0.666667 0.250000 O\n",
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{
"id": "jvasp-13393",
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"structure_string": "Sb10 I2 O14\n1.0\n3.415512 -5.915841 -0.000000\n3.415512 5.915841 -0.000000\n-0.000000 0.000000 12.544309\nSb I O\n10 2 14\ndirect\n0.666667 0.333333 0.043863 Sb\n0.679398 0.035077 0.750000 Sb\n0.355679 0.320602 0.750000 Sb\n0.035077 0.679398 0.250000 Sb\n0.320602 0.355679 0.250000 Sb\n0.964922 0.644320 0.750000 Sb\n0.333333 0.666667 0.543863 Sb\n0.333333 0.666667 0.956137 Sb\n0.666667 0.333333 0.456137 Sb\n0.644320 0.964922 0.250000 Sb\n0.000000 0.000000 0.500000 I\n0.000000 0.000000 0.000000 I\n0.056674 0.500445 0.863045 O\n0.443771 0.943326 0.863045 O\n0.056674 0.500445 0.636955 O\n0.499554 0.556228 0.636955 O\n0.499554 0.556228 0.863045 O\n0.943326 0.443771 0.136955 O\n0.556228 0.499554 0.363045 O\n0.500445 0.056674 0.136955 O\n0.443771 0.943326 0.636955 O\n0.500445 0.056674 0.363045 O\n0.943326 0.443771 0.363045 O\n0.666667 0.333333 0.750000 O\n0.556228 0.499554 0.136955 O\n0.333333 0.666667 0.250000 O\n",
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},
{
"id": "jvasp-110546",
"created_at": "2022-09-04T14:38:37.456095Z",
"updated_at": "2022-09-04T14:38:37.456120Z",
"structure_string": "Sb4 Te3 Se3\n1.0\n10.238774 -0.015413 1.210117\n9.378576 4.107920 1.210117\n0.015239 0.003179 7.287659\nSb Te Se\n4 3 3\ndirect\n0.908399 0.908400 0.702471 Sb\n0.406540 0.406541 0.191742 Sb\n0.588662 0.588663 0.803076 Sb\n0.091551 0.091552 0.302696 Sb\n0.819609 0.819610 0.393205 Te\n0.178005 0.178005 0.610583 Te\n0.678901 0.678902 0.103137 Te\n0.497501 0.497502 0.501298 Se\n0.999031 0.999032 0.000719 Se\n0.331798 0.331799 0.891079 Se\n",
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"Te",
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"density_atomic": 0.032521012033803885,
"volume": 307.4935057250225,
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"formula_full": "Sb4 Te3 Se3",
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"formula_anonymous": "A3B3C4",
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"spacegroup": 8
},
{
"id": "jvasp-119151",
"created_at": "2022-09-04T14:38:35.649070Z",
"updated_at": "2022-09-04T14:38:35.649087Z",
"structure_string": "Sb8 Se6 S6\n1.0\n3.968504 -0.000000 0.000000\n0.000000 11.394474 0.000000\n0.000000 -0.000000 11.661660\nSb Se S\n8 6 6\ndirect\n0.500000 0.205663 0.651850 Sb\n0.500000 0.794336 0.151850 Sb\n-0.000000 0.291226 0.346843 Sb\n-0.000000 0.708773 0.846843 Sb\n-0.000000 0.920498 0.529586 Sb\n-0.000000 0.079502 0.029586 Sb\n0.500000 0.589544 0.475917 Sb\n0.500000 0.410456 0.975917 Sb\n0.500000 0.884458 0.942490 Se\n0.500000 0.115542 0.442490 Se\n-0.000000 0.619716 0.057096 Se\n0.500000 0.546855 0.781908 Se\n0.500000 0.453144 0.281908 Se\n-0.000000 0.380284 0.557096 Se\n-0.000000 0.053669 0.709760 S\n0.500000 0.807809 0.625740 S\n0.500000 0.192190 0.125740 S\n-0.000000 0.699128 0.378811 S\n-0.000000 0.300872 0.878811 S\n-0.000000 0.946330 0.209760 S\n",
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},
{
"id": "jvasp-100857",
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"structure_string": "Sb4 S3 N2\n1.0\n5.461811 0.333301 4.646100\n1.051598 3.572512 -0.000000\n-0.909784 0.267802 9.124413\nSb S N\n4 3 2\ndirect\n0.241178 0.879410 0.594335 Sb\n0.758823 0.120588 0.405664 Sb\n0.625204 0.687397 0.121867 Sb\n0.374797 0.312601 0.878132 Sb\n0.000000 0.000000 0.000000 S\n0.706569 0.646715 0.705792 S\n0.293432 0.353283 0.294207 S\n0.615692 0.692153 0.359129 N\n0.384309 0.307845 0.640870 N\n",
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],
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"density_atomic": 0.04705876859936922,
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"spacegroup": 12
},
{
"id": "jvasp-30170",
"created_at": "2022-09-04T14:37:10.889140Z",
"updated_at": "2022-09-04T14:37:10.889152Z",
"structure_string": "Sb8 O10 F4\n1.0\n5.693583 0.000000 0.101331\n0.000000 5.122719 0.000000\n-1.320871 0.000000 13.477829\nSb O F\n8 10 4\ndirect\n0.241608 0.905026 0.795790 Sb\n0.203952 0.277290 0.552443 Sb\n0.241608 0.594974 0.295790 Sb\n0.203952 0.222711 0.052443 Sb\n0.796047 0.777290 0.947557 Sb\n0.758391 0.405026 0.704210 Sb\n0.796047 0.722711 0.447557 Sb\n0.758391 0.094974 0.204210 Sb\n0.927997 0.986233 0.083905 O\n0.895737 0.817676 0.293879 O\n0.927997 0.513767 0.583905 O\n0.895737 0.682324 0.793879 O\n0.104263 0.317676 0.206121 O\n0.104263 0.182324 0.706121 O\n0.072003 0.486233 0.416095 O\n0.000000 0.000000 0.500000 O\n0.072003 0.013767 0.916095 O\n0.000000 0.500000 0.000000 O\n0.478970 0.303708 0.361982 F\n0.478971 0.196292 0.861982 F\n0.521029 0.696292 0.638018 F\n0.521029 0.803708 0.138018 F\n",
"nsites": 22,
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},
{
"id": "jvasp-30347",
"created_at": "2022-09-04T14:37:08.427626Z",
"updated_at": "2022-09-04T14:37:08.427642Z",
"structure_string": "Sb8 I4 O10\n1.0\n5.221482 0.000000 0.000000\n0.000000 7.097452 -0.847746\n0.000000 -0.086095 13.697760\nSb I O\n8 4 10\ndirect\n0.625650 0.182005 0.297063 Sb\n0.125650 0.817995 0.202937 Sb\n0.374350 0.817995 0.702937 Sb\n0.874349 0.182006 0.797063 Sb\n0.721934 0.835467 0.447355 Sb\n0.221935 0.164533 0.052645 Sb\n0.278065 0.164533 0.552645 Sb\n0.778065 0.835468 0.947355 Sb\n0.788901 0.504632 0.620237 I\n0.288901 0.495369 0.879763 I\n0.711099 0.504631 0.120237 I\n0.211099 0.495369 0.379763 I\n0.500000 0.000000 0.000000 O\n0.505659 0.935626 0.582759 O\n0.005659 0.064375 0.917241 O\n0.494341 0.064375 0.417242 O\n0.994341 0.935625 0.082759 O\n0.838165 0.928755 0.290572 O\n0.338165 0.071245 0.209428 O\n0.161834 0.071246 0.709428 O\n0.661834 0.928755 0.790572 O\n0.000000 0.000000 0.500000 O\n",
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},
{
"id": "jvasp-55660",
"created_at": "2022-09-04T14:38:08.116300Z",
"updated_at": "2022-09-04T14:38:08.116330Z",
"structure_string": "Sb8 Cl4 O10\n1.0\n0.000000 6.265493 0.053829\n5.149485 0.000000 0.000000\n0.000000 -1.461658 -13.607540\nSb Cl O\n8 4 10\ndirect\n0.794213 0.620697 0.702417 Sb\n0.205786 0.120697 0.797583 Sb\n0.205786 0.379304 0.297583 Sb\n0.794213 0.879304 0.202417 Sb\n0.191059 0.721456 0.549341 Sb\n0.808940 0.221456 0.950659 Sb\n0.808941 0.278544 0.450659 Sb\n0.191059 0.778545 0.049341 Sb\n0.497895 0.791954 0.383109 Cl\n0.502104 0.291954 0.116891 Cl\n0.497895 0.708047 0.883109 Cl\n0.502104 0.208046 0.616891 Cl\n0.000000 0.500000 0.000000 O\n0.070891 0.506788 0.417634 O\n0.929108 0.006787 0.082365 O\n0.929108 0.493213 0.582365 O\n0.070891 0.993213 0.917634 O\n0.079554 0.833532 0.710358 O\n0.920445 0.333532 0.789642 O\n0.920445 0.166469 0.289642 O\n0.079554 0.666469 0.210358 O\n-0.000000 0.000000 0.500000 O\n",
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],
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"density_atomic": 0.05015624149408944,
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"formula_full": "Sb8 Cl4 O10",
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"formula_anonymous": "A2B4C5",
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"spacegroup": 14
},
{
"id": "jvasp-29244",
"created_at": "2022-09-04T14:38:03.653625Z",
"updated_at": "2022-09-04T14:38:03.653645Z",
"structure_string": "Sb8 Br4 O10\n1.0\n5.181829 0.000000 0.000000\n0.000000 6.577290 -0.879948\n0.000000 0.095104 13.656607\nSb Br O\n8 4 10\ndirect\n0.778228 0.820878 0.948397 Sb\n0.278227 0.179121 0.551604 Sb\n0.221773 0.179122 0.051603 Sb\n0.721773 0.820878 0.448397 Sb\n0.876046 0.195568 0.797892 Sb\n0.376046 0.804431 0.702108 Sb\n0.123955 0.804432 0.202108 Sb\n0.623955 0.195568 0.297892 Sb\n0.791400 0.503281 0.617932 Br\n0.291400 0.496718 0.882068 Br\n0.208601 0.496718 0.382068 Br\n0.708601 0.503282 0.117932 Br\n0.162569 0.075036 0.709865 O\n0.337431 0.075036 0.209865 O\n0.837431 0.924964 0.290135 O\n0.993457 0.931997 0.082539 O\n0.493457 0.068003 0.417461 O\n0.006543 0.068003 0.917461 O\n0.506544 0.931996 0.582539 O\n0.500000 0.000000 0.000000 O\n0.000000 -0.000000 0.500000 O\n0.662569 0.924963 0.790135 O\n",
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],
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"volume": 465.8834835490409,
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"formula_full": "Sb8 Br4 O10",
"formula_reduced": "Sb4Br2O5",
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},
{
"id": "jvasp-20761",
"created_at": "2022-09-04T14:38:33.918384Z",
"updated_at": "2022-09-04T14:38:33.918413Z",
"structure_string": "Sb12 Rh4\n1.0\n7.664771 0.000000 -2.709905\n-3.832384 6.637886 -2.709905\n0.000000 0.000000 8.129717\nSb Rh\n12 4\ndirect\n0.493718 0.154615 0.339104 Sb\n0.154615 0.660896 0.815511 Sb\n0.339104 0.184489 0.845385 Sb\n0.845386 0.660896 0.506282 Sb\n0.660897 0.815511 0.154614 Sb\n0.845386 0.339104 0.184489 Sb\n0.660896 0.506283 0.845385 Sb\n0.339104 0.493718 0.154615 Sb\n0.154615 0.339104 0.493718 Sb\n0.815511 0.154615 0.660896 Sb\n0.184490 0.845386 0.339104 Sb\n0.506283 0.845386 0.660896 Sb\n0.500000 0.500000 0.500000 Rh\n0.000000 0.500000 -0.000000 Rh\n-0.000000 -0.000000 0.500000 Rh\n0.500000 -0.000000 -0.000000 Rh\n",
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"formula_full": "Sb12 Rh4",
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},
{
"id": "jvasp-12185",
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},
{
"id": "jvasp-52330",
"created_at": "2022-09-04T14:37:08.059161Z",
"updated_at": "2022-09-04T14:37:08.059194Z",
"structure_string": "Sb3 O7 F1\n1.0\n3.240422 5.485899 0.000000\n-3.240422 5.485899 0.000000\n0.000000 0.000000 3.828571\nSb O F\n3 7 1\ndirect\n0.000000 0.000000 0.000000 Sb\n0.304516 0.304516 0.000000 Sb\n0.695484 0.695484 0.000000 Sb\n0.043415 0.662912 0.000000 O\n0.337088 0.956586 0.000000 O\n0.000000 0.000000 0.500000 O\n0.321799 0.321799 0.500000 O\n0.678201 0.678201 0.500000 O\n0.662912 0.043415 0.000000 O\n0.956586 0.337088 0.000000 O\n0.500000 0.500000 0.000000 F\n",
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"spacegroup": 65
}
]
}