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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=667",
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"results": [
{
"id": "jvasp-32930",
"created_at": "2022-09-04T14:36:45.315944Z",
"updated_at": "2022-09-04T14:36:45.315980Z",
"structure_string": "Al4 Ni2 Cl16\n1.0\n6.804617 0.000270 3.007474\n3.070043 8.357851 2.257211\n-0.087937 -0.080987 9.400015\nAl Ni Cl\n4 2 16\ndirect\n0.340058 0.859688 0.964133 Al\n0.836571 0.359735 0.464086 Al\n0.163370 0.642779 0.534396 Al\n0.659831 0.142835 0.034341 Al\n0.994593 0.751317 0.249259 Ni\n0.005296 0.251239 0.749224 Ni\n0.296785 0.550071 0.305882 Cl\n0.344810 0.273644 0.054739 Cl\n0.841612 0.551498 0.276298 Cl\n0.158301 0.451025 0.722190 Cl\n0.655080 0.728886 0.943734 Cl\n0.165512 0.711396 0.976055 Cl\n0.703148 0.452452 0.692598 Cl\n0.847642 0.050073 0.805849 Cl\n0.834368 0.291129 0.022427 Cl\n0.672736 0.228991 0.443652 Cl\n0.147501 0.211351 0.476004 Cl\n0.152250 0.952455 0.192626 Cl\n0.668813 0.951136 0.222198 Cl\n0.327218 0.773512 0.554833 Cl\n0.852443 0.791181 0.522473 Cl\n0.331078 0.051385 0.776281 Cl\n",
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{
"id": "jvasp-50512",
"created_at": "2022-09-04T14:36:45.385337Z",
"updated_at": "2022-09-04T14:36:45.385356Z",
"structure_string": "Ba2 Y2 Cl10\n1.0\n2.766336 9.553348 0.013136\n-2.766336 9.553348 -0.013136\n-0.358614 0.000000 6.784746\nBa Y Cl\n2 2 10\ndirect\n0.671227 0.671226 0.750000 Ba\n0.328774 0.328774 0.250000 Ba\n0.922881 0.922880 0.750000 Y\n0.077120 0.077119 0.250000 Y\n0.275198 0.786519 0.595298 Cl\n0.213481 0.724803 0.095298 Cl\n0.195981 0.179618 0.996994 Cl\n0.371099 0.371098 0.750000 Cl\n0.179619 0.195979 0.503007 Cl\n0.820382 0.804020 0.496993 Cl\n0.628902 0.628902 0.250000 Cl\n0.804020 0.820381 0.003007 Cl\n0.786520 0.275196 0.904702 Cl\n0.724803 0.213481 0.404702 Cl\n",
"nsites": 14,
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"elements": [
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"Y",
"Cl"
],
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"density": 3.7358309299908514,
"density_atomic": 0.03902967464787963,
"volume": 358.7014272167544,
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"formula_full": "Ba2 Y2 Cl10",
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"formula_anonymous": "ABC5",
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"spacegroup": 15
},
{
"id": "jvasp-104900",
"created_at": "2022-09-04T14:36:45.219242Z",
"updated_at": "2022-09-04T14:36:45.219258Z",
"structure_string": "Rb6 Bi4\n1.0\n6.862785 0.004474 1.316113\n-0.503659 6.844280 1.316113\n-0.059378 -0.063950 9.735205\nRb Bi\n6 4\ndirect\n0.657426 0.757575 0.514414 Rb\n0.342574 0.242425 0.485586 Rb\n0.242425 0.342574 0.985586 Rb\n0.757575 0.657425 0.014413 Rb\n0.842275 0.157725 0.750000 Rb\n0.157725 0.842274 0.250000 Rb\n0.318122 0.884491 0.843923 Bi\n0.681879 0.115509 0.156077 Bi\n0.115509 0.681878 0.656077 Bi\n0.884491 0.318121 0.343923 Bi\n",
"nsites": 10,
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"elements": [
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"density": 4.885223406768391,
"density_atomic": 0.021812770465701427,
"volume": 458.44703751520603,
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"formula_full": "Rb6 Bi4",
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"spacegroup": 15
},
{
"id": "jvasp-52279",
"created_at": "2022-09-04T14:36:45.403331Z",
"updated_at": "2022-09-04T14:36:45.403355Z",
"structure_string": "Bi4 O2 F8\n1.0\n0.000000 5.708912 0.000000\n-6.494000 2.854456 0.274390\n-1.097730 0.000000 5.630201\nBi O F\n4 2 8\ndirect\n0.888771 0.787813 0.584343 Bi\n0.323417 0.787813 0.084343 Bi\n0.676583 0.212188 0.915657 Bi\n0.111229 0.212188 0.415657 Bi\n0.036009 0.000000 0.750000 O\n0.963990 0.000000 0.250000 O\n0.703059 0.843724 0.953589 F\n0.453216 0.843724 0.453589 F\n0.274831 0.568151 0.832943 F\n0.157018 0.568151 0.332943 F\n0.842982 0.431849 0.667056 F\n0.725169 0.431849 0.167057 F\n0.546784 0.156276 0.546411 F\n0.296941 0.156276 0.046411 F\n",
"nsites": 14,
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"elements": [
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"F"
],
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"density": 8.181124247760598,
"density_atomic": 0.06762870754726232,
"volume": 207.01268008435767,
"volume_molar": 8.904710704091789,
"formula_full": "Bi4 O2 F8",
"formula_reduced": "Bi2OF4",
"formula_anonymous": "AB2C4",
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"spacegroup": 15
},
{
"id": "jvasp-12563",
"created_at": "2022-09-04T14:36:45.653279Z",
"updated_at": "2022-09-04T14:36:45.653306Z",
"structure_string": "Be2 Al2 H10\n1.0\n4.458832 0.034261 -1.341425\n-1.144921 4.309468 -1.341425\n-0.008635 -0.011318 6.333669\nBe Al H\n2 2 10\ndirect\n0.662065 0.337933 0.750001 Be\n0.337934 0.662066 0.250001 Be\n0.000000 0.000000 0.000000 Al\n-0.000001 -0.000000 0.500000 Al\n0.348955 0.268395 0.594877 H\n0.731603 0.651044 0.905125 H\n0.651044 0.731605 0.405125 H\n0.268395 0.348955 0.094877 H\n0.090866 0.909133 0.750001 H\n0.909133 0.090867 0.250001 H\n0.310416 0.859285 0.112749 H\n0.140715 0.689585 0.387253 H\n0.689583 0.140715 0.887252 H\n0.859283 0.310415 0.612749 H\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Al-Be-H",
"density": 1.1186921994556294,
"density_atomic": 0.11492693656143188,
"volume": 121.81652464491283,
"volume_molar": 5.239973273611958,
"formula_full": "Be2 Al2 H10",
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"spacegroup": 15
},
{
"id": "jvasp-50888",
"created_at": "2022-09-04T14:36:45.878985Z",
"updated_at": "2022-09-04T14:36:45.879018Z",
"structure_string": "Ba2 Y2 Br10\n1.0\n2.940637 10.049113 0.011971\n-2.940637 10.049113 -0.011971\n-0.386336 0.000000 7.143737\nBa Y Br\n2 2 10\ndirect\n0.671231 0.671232 0.750000 Ba\n0.328768 0.328768 0.250000 Ba\n0.922448 0.922449 0.750000 Y\n0.077551 0.077551 0.250000 Y\n0.277038 0.784702 0.596027 Br\n0.215298 0.722961 0.096026 Br\n0.195977 0.181673 0.995438 Br\n0.369122 0.369123 0.750000 Br\n0.181672 0.195978 0.504563 Br\n0.818326 0.804022 0.495438 Br\n0.630877 0.630877 0.250000 Br\n0.804022 0.818326 0.004562 Br\n0.784701 0.277039 0.903974 Br\n0.722961 0.215299 0.403974 Br\n",
"nsites": 14,
"nelements": 3,
"elements": [
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"Y",
"Br"
],
"chemical_system": "Ba-Br-Y",
"density": 4.921094756832806,
"density_atomic": 0.03315185497026594,
"volume": 422.2991447252852,
"volume_molar": 18.16532065973771,
"formula_full": "Ba2 Y2 Br10",
"formula_reduced": "BaYBr5",
"formula_anonymous": "ABC5",
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"spacegroup": 15
},
{
"id": "jvasp-103581",
"created_at": "2022-09-04T14:36:46.729655Z",
"updated_at": "2022-09-04T14:36:46.729675Z",
"structure_string": "S2 O8\n1.0\n4.400160 0.165880 1.955061\n2.229142 3.797347 1.955061\n0.692452 0.413972 8.729046\nS O\n2 8\ndirect\n0.021363 0.978637 0.250000 S\n0.978636 0.021364 0.750000 S\n0.192994 0.743505 0.401613 O\n0.256494 0.807005 0.098387 O\n0.807004 0.256495 0.598387 O\n0.743504 0.192995 0.901613 O\n0.656976 0.018783 0.310369 O\n-0.018783 0.343024 0.189631 O\n0.343024 -0.018783 0.689631 O\n0.018782 0.656976 0.810370 O\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "O-S",
"density": 2.3466474320318613,
"density_atomic": 0.07355537511306201,
"volume": 135.95199514146987,
"volume_molar": 8.187220513447677,
"formula_full": "S2 O8",
"formula_reduced": "SO4",
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"spacegroup": 15
},
{
"id": "jvasp-13024",
"created_at": "2022-09-04T14:36:46.254274Z",
"updated_at": "2022-09-04T14:36:46.254299Z",
"structure_string": "Li2 Dy4 Br10\n1.0\n6.154638 -0.000000 -2.605815\n-0.219932 7.698645 -0.519456\n0.032743 0.158753 8.648518\nLi Dy Br\n2 4 10\ndirect\n0.500000 0.499999 0.500000 Li\n-0.000000 -0.000000 0.500000 Li\n0.263549 0.071301 0.152485 Dy\n0.111064 0.428698 0.847515 Dy\n0.736451 0.928698 0.847515 Dy\n0.888936 0.571301 0.152484 Dy\n0.728657 0.170116 0.584691 Br\n0.143965 0.329883 0.415308 Br\n0.125679 0.750000 -0.000000 Br\n0.874322 0.250000 -0.000001 Br\n0.689203 0.905229 0.181919 Br\n0.507283 0.594770 0.818080 Br\n0.310797 0.094770 0.818080 Br\n0.492717 0.405229 0.181920 Br\n0.856035 0.670116 0.584691 Br\n0.271343 0.829883 0.415308 Br\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Dy",
"Br"
],
"chemical_system": "Br-Dy-Li",
"density": 5.9099435443903685,
"density_atomic": 0.03892539661884522,
"volume": 411.0426967943548,
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"formula_full": "Li2 Dy4 Br10",
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"spacegroup": 15
},
{
"id": "jvasp-48150",
"created_at": "2022-09-04T14:36:46.395633Z",
"updated_at": "2022-09-04T14:36:46.395648Z",
"structure_string": "Li4 Co2 Si4 O12\n1.0\n2.872880 4.798655 0.114742\n-2.872880 4.798655 -0.114742\n-0.220061 0.000000 9.210230\nLi Co Si O\n4 2 4 12\ndirect\n0.609972 0.725368 0.881381 Li\n0.274633 0.390029 0.381381 Li\n0.725368 0.609972 0.618619 Li\n0.390029 0.274633 0.118619 Li\n0.248874 0.248874 0.750000 Co\n0.751128 0.751128 0.250000 Co\n0.139110 0.794783 0.634252 Si\n0.205218 0.860891 0.134252 Si\n0.794783 0.139110 0.865748 Si\n0.860891 0.205218 0.365748 Si\n0.757644 0.520249 0.412959 O\n0.479752 0.242357 0.912959 O\n0.000000 0.000000 0.000000 O\n0.121942 0.121942 0.250000 O\n0.000000 -0.000000 0.500000 O\n0.371104 0.855303 0.706773 O\n0.520250 0.757644 0.087041 O\n0.242357 0.479751 0.587041 O\n0.144698 0.628897 0.206773 O\n0.855303 0.371104 0.793227 O\n0.878059 0.878059 0.750000 O\n0.628897 0.144698 0.293227 O\n",
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"volume": 254.1860586806487,
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"formula_full": "Li4 Co2 Si4 O12",
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{
"id": "jvasp-9712",
"created_at": "2022-09-04T14:36:46.802936Z",
"updated_at": "2022-09-04T14:36:46.802960Z",
"structure_string": "Er2 Nb2 O8\n1.0\n4.773666 0.014043 -1.835586\n-1.194657 4.747572 -1.993196\n-0.025477 -0.003261 6.520145\nEr Nb O\n2 2 8\ndirect\n0.378412 0.628412 0.756822 Er\n0.621588 0.371587 0.243176 Er\n0.858163 0.108163 0.716325 Nb\n0.141836 0.891837 0.283673 Nb\n0.991494 0.781047 0.562881 O\n0.571389 0.281836 0.562882 O\n0.008506 0.218953 0.437117 O\n0.428611 0.718163 0.437116 O\n0.214981 0.376584 0.925478 O\n0.710497 0.048894 0.925478 O\n0.785018 0.623415 0.074520 O\n0.289502 0.951106 0.074520 O\n",
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"spacegroup": 15
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{
"id": "jvasp-50956",
"created_at": "2022-09-04T14:36:47.138392Z",
"updated_at": "2022-09-04T14:36:47.138416Z",
"structure_string": "Ba2 Sr2 I8\n1.0\n-1.812590 0.000000 8.475581\n3.242012 -7.427318 4.254470\n3.242012 7.427318 4.254470\nBa Sr I\n2 2 8\ndirect\n0.750000 0.233183 0.266817 Ba\n0.250000 0.766817 0.733182 Ba\n0.250000 0.381739 0.118261 Sr\n0.750000 0.618260 0.881739 Sr\n0.257212 0.997563 0.119907 I\n0.930508 0.763364 0.126797 I\n0.430508 0.626797 0.263364 I\n0.242789 0.380092 0.502437 I\n0.757212 0.619907 0.497563 I\n0.569492 0.373202 0.736635 I\n0.069493 0.236635 0.873202 I\n0.742789 0.002437 0.880093 I\n",
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],
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"volume": 522.7278832621591,
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"formula_full": "Ba2 Sr2 I8",
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"spacegroup": 15
},
{
"id": "jvasp-21300",
"created_at": "2022-09-04T14:36:47.372009Z",
"updated_at": "2022-09-04T14:36:47.372036Z",
"structure_string": "Mg2 Si4 Sn2 O12\n1.0\n5.348505 0.140080 1.253231\n1.467332 7.065121 0.703999\n0.118031 0.027594 7.249132\nMg Si Sn O\n2 4 2 12\ndirect\n0.750001 0.296252 0.703747 Mg\n0.250001 0.703748 0.296253 Mg\n0.217886 0.173398 0.364228 Si\n0.282113 0.635771 0.826601 Si\n0.717886 0.364228 0.173398 Si\n0.782115 0.826601 0.635771 Si\n0.249999 0.148891 0.851109 Sn\n0.749999 0.851110 0.148890 Sn\n0.672670 0.052085 0.669652 O\n0.827331 0.330346 0.947914 O\n0.619617 0.588083 0.227296 O\n0.880383 0.772705 0.411917 O\n0.380382 0.411915 0.772704 O\n0.048188 0.739931 0.717249 O\n0.951812 0.260068 0.282750 O\n0.548189 0.717249 0.739932 O\n0.327330 0.947914 0.330347 O\n0.451812 0.282752 0.260067 O\n0.119618 0.227294 0.588083 O\n0.172670 0.669654 0.052086 O\n",
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}
]
}