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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=285",
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"results": [
{
"id": "jvasp-34878",
"created_at": "2022-09-04T14:38:29.938963Z",
"updated_at": "2022-09-04T14:38:29.938982Z",
"structure_string": "K2 Zr7 Cl18\n1.0\n8.388555 0.018158 5.825362\n3.056514 7.811908 5.825362\n0.026541 0.018159 10.212835\nK Zr Cl\n2 7 18\ndirect\n0.222510 0.222510 0.222510 K\n0.777489 0.777490 0.777490 K\n0.097910 0.216651 0.834367 Zr\n0.216650 0.834367 0.097910 Zr\n0.902089 0.783350 0.165634 Zr\n0.165633 0.902090 0.783350 Zr\n0.783349 0.165634 0.902090 Zr\n0.499999 0.500000 0.500000 Zr\n0.834366 0.097910 0.216650 Zr\n0.713231 0.859775 0.433985 Cl\n0.859773 0.433985 0.713232 Cl\n0.433984 0.713232 0.859775 Cl\n0.939519 0.073262 0.645987 Cl\n0.510872 0.364379 0.791419 Cl\n0.060480 0.926739 0.354013 Cl\n0.926738 0.354013 0.060480 Cl\n0.354012 0.060481 0.926739 Cl\n0.566013 0.286768 0.140226 Cl\n0.140225 0.566014 0.286768 Cl\n0.286768 0.140226 0.566014 Cl\n0.208581 0.489127 0.635621 Cl\n0.635620 0.208582 0.489127 Cl\n0.489126 0.635621 0.208581 Cl\n0.791418 0.510873 0.364379 Cl\n0.364377 0.791419 0.510873 Cl\n0.645986 0.939520 0.073262 Cl\n0.073261 0.645987 0.939520 Cl\n",
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],
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"formula_full": "K2 Zr7 Cl18",
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{
"id": "jvasp-119459",
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"updated_at": "2022-09-04T14:38:49.785195Z",
"structure_string": "Li2 B7 H7\n1.0\n5.507000 -0.032068 2.156898\n-2.861701 4.705182 2.156898\n-0.010925 -0.019300 5.534273\nLi B H\n2 7 7\ndirect\n0.585514 0.414486 0.500000 Li\n0.004314 -0.004313 0.500000 Li\n0.705306 0.914320 0.296164 B\n0.085680 0.294694 0.703836 B\n0.987453 0.286586 0.056118 B\n0.713415 0.012547 0.943882 B\n0.613722 0.148923 0.183569 B\n0.851078 0.386278 0.816431 B\n-0.000090 0.000090 0.000000 B\n0.124792 0.875207 0.000001 H\n0.129333 0.425027 0.115599 H\n0.574973 0.870667 0.884401 H\n0.410915 0.136383 0.360451 H\n0.863617 0.589085 0.639549 H\n0.571462 0.723876 0.561298 H\n0.276124 0.428538 0.438702 H\n",
"nsites": 16,
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],
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"density_atomic": 0.11161251848172857,
"volume": 143.35309531268453,
"volume_molar": 5.395578239716765,
"formula_full": "Li2 B7 H7",
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"formula_anonymous": "A2B7C7",
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},
{
"id": "jvasp-95163",
"created_at": "2022-09-04T14:35:40.727108Z",
"updated_at": "2022-09-04T14:35:40.727139Z",
"structure_string": "Rb16 Fe4 O14\n1.0\n6.883852 0.013755 0.000000\n-3.390292 6.104464 0.000000\n0.000000 0.000000 17.472594\nRb Fe O\n16 4 14\ndirect\n0.454380 0.244549 0.287582 Rb\n0.045620 0.755450 0.787582 Rb\n0.952695 0.215410 0.809646 Rb\n0.495298 0.641770 0.080648 Rb\n0.542536 0.772416 0.505095 Rb\n0.042536 0.772417 0.994905 Rb\n0.504701 0.358228 0.919351 Rb\n0.957463 0.227582 0.005095 Rb\n0.047304 0.784589 0.190354 Rb\n0.457463 0.227582 0.494905 Rb\n0.452695 0.215410 0.690354 Rb\n0.004702 0.358229 0.580648 Rb\n0.547304 0.784588 0.309646 Rb\n0.545620 0.755449 0.712417 Rb\n0.954380 0.244549 0.212417 Rb\n0.995298 0.641770 0.419351 Rb\n0.502077 0.146428 0.097486 Fe\n0.002077 0.146428 0.402514 Fe\n0.497922 0.853571 0.902514 Fe\n0.997922 0.853571 0.597486 Fe\n0.000000 0.000000 0.500000 O\n0.992620 0.037730 0.676853 O\n0.739268 0.575871 0.600309 O\n0.760731 0.424127 0.100309 O\n0.239268 0.575871 0.899691 O\n0.492621 0.037731 0.823146 O\n0.260336 0.829543 0.606262 O\n0.239663 0.170456 0.106262 O\n0.260731 0.424128 0.399691 O\n0.500000 -0.000000 0.000000 O\n0.739663 0.170456 0.393738 O\n0.007379 0.962268 0.323147 O\n0.507379 0.962268 0.176853 O\n0.760336 0.829542 0.893738 O\n",
"nsites": 34,
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"elements": [
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"O"
],
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"density_atomic": 0.04625522374871969,
"volume": 735.052113999148,
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"formula_full": "Rb16 Fe4 O14",
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"formula_anonymous": "A2B7C8",
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"spacegroup": 14
},
{
"id": "jvasp-98610",
"created_at": "2022-09-04T14:36:05.500615Z",
"updated_at": "2022-09-04T14:36:05.500644Z",
"structure_string": "Sr4 B16 Ru14\n1.0\n6.473952 0.000000 0.000001\n0.000000 6.473951 0.000000\n0.000001 0.000000 10.199289\nSr B Ru\n4 16 14\ndirect\n0.231142 0.391685 1.000000 Sr\n0.608315 0.231143 0.500000 Sr\n0.391684 0.768857 0.500000 Sr\n0.768856 0.608315 -0.000000 Sr\n0.500000 -0.000000 0.088733 B\n0.224413 0.398382 0.331063 B\n0.224414 0.398381 0.668937 B\n0.000000 0.000000 0.159037 B\n0.000000 -0.000000 0.659038 B\n0.398382 0.775586 0.831063 B\n0.775586 0.601619 0.331063 B\n0.500000 -0.000001 0.911267 B\n0.775586 0.601618 0.668937 B\n0.000000 -0.000000 0.840963 B\n0.999999 0.000000 0.340962 B\n0.601619 0.224413 0.831063 B\n0.398381 0.775587 0.168937 B\n-0.000001 0.500000 0.411267 B\n0.000000 0.500000 0.588733 B\n0.601618 0.224414 0.168937 B\n0.499999 0.500000 0.250000 Ru\n0.893500 0.294025 0.744336 Ru\n0.294026 0.106500 0.755664 Ru\n0.294025 0.106501 0.244336 Ru\n0.212202 0.906730 -0.000000 Ru\n0.787798 0.093269 -0.000000 Ru\n0.893499 0.294026 0.255664 Ru\n0.093269 0.212202 0.500000 Ru\n0.705974 0.893500 0.244336 Ru\n0.906730 0.787798 0.500000 Ru\n0.705975 0.893499 0.755664 Ru\n0.106500 0.705975 0.255664 Ru\n0.106501 0.705974 0.744336 Ru\n0.500000 0.499999 0.750000 Ru\n",
"nsites": 34,
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"elements": [
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"B",
"Ru"
],
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"density": 7.52994464101963,
"density_atomic": 0.07953717032713761,
"volume": 427.4730903822386,
"volume_molar": 7.571479768806009,
"formula_full": "Sr4 B16 Ru14",
"formula_reduced": "Sr2B8Ru7",
"formula_anonymous": "A2B7C8",
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"spacegroup": 84
},
{
"id": "jvasp-113239",
"created_at": "2022-09-04T14:38:45.656261Z",
"updated_at": "2022-09-04T14:38:45.656288Z",
"structure_string": "Li7 Cr2 O8\n1.0\n5.103513 0.058433 0.685070\n1.755256 4.575470 1.756315\n0.092247 0.086587 7.742532\nLi Cr O\n7 2 8\ndirect\n0.764334 0.223242 0.010642 Li\n0.269202 0.228641 0.208241 Li\n0.712450 0.066218 0.450387 Li\n0.242139 0.950124 0.543267 Li\n0.798064 0.515347 0.567558 Li\n0.725173 0.775676 0.812892 Li\n0.224636 0.794943 -0.004003 Li\n0.293625 0.372656 0.767013 Cr\n0.703754 0.621207 0.227415 Cr\n0.550702 0.497935 0.789942 O\n0.845770 0.813125 0.029139 O\n0.500011 0.469416 0.164208 O\n0.947715 0.307109 0.382581 O\n0.544935 0.848837 0.364980 O\n0.435526 0.116045 0.653181 O\n0.023949 0.688738 0.638005 O\n0.164074 0.200848 0.979761 O\n",
"nsites": 17,
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"elements": [
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"Cr",
"O"
],
"chemical_system": "Cr-Li-O",
"density": 2.6020951927965283,
"density_atomic": 0.09494562581797926,
"volume": 179.04984935894558,
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"formula_full": "Li7 Cr2 O8",
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"formula_anonymous": "A2B7C8",
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},
{
"id": "jvasp-104167",
"created_at": "2022-09-04T14:36:56.826449Z",
"updated_at": "2022-09-04T14:36:56.826469Z",
"structure_string": "H16 C14 N4\n1.0\n3.926393 -0.101890 0.987534\n-0.181987 5.818197 -1.127355\n0.320911 0.144846 12.361983\nH C N\n16 14 4\ndirect\n0.509260 0.380287 0.097655 H\n0.146339 0.625037 0.724601 H\n0.146341 0.125036 0.224601 H\n0.618175 0.323324 0.315547 H\n0.618173 0.823325 0.815548 H\n0.287825 0.565519 0.944586 H\n-0.002950 0.008681 0.626234 H\n-0.002949 0.508681 0.126235 H\n0.287826 0.065519 0.444586 H\n0.832808 0.433936 0.916689 H\n0.298758 0.803323 0.280700 H\n0.298758 0.303323 0.780700 H\n0.125985 0.519833 0.288676 H\n0.125985 0.019834 0.788675 H\n0.509259 0.880288 0.597655 H\n0.832809 0.933936 0.416690 H\n0.186445 0.824856 0.094159 C\n0.250372 0.557495 0.634996 C\n0.250373 0.057495 0.134995 C\n0.452663 0.702324 0.563053 C\n0.452664 0.202324 0.063053 C\n0.186447 0.324857 0.594159 C\n0.591607 0.623663 0.446804 C\n0.067048 0.190674 0.778901 C\n0.324278 0.246685 0.478164 C\n0.324278 0.746686 0.978164 C\n0.518798 0.392519 0.405179 C\n0.518797 0.892519 0.905179 C\n0.067047 0.690675 0.278902 C\n0.591608 0.123664 0.946803 C\n0.996726 0.673922 0.167022 N\n0.790337 0.273206 0.876065 N\n0.790339 0.773206 0.376065 N\n0.996725 0.173923 0.667023 N\n",
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],
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"density_atomic": 0.12100394400055672,
"volume": 280.9825768971925,
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"formula_full": "H16 C14 N4",
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},
{
"id": "jvasp-47899",
"created_at": "2022-09-04T14:37:02.501715Z",
"updated_at": "2022-09-04T14:37:02.501739Z",
"structure_string": "Li7 Cr2 O8\n1.0\n5.138272 0.071039 0.041683\n1.948994 4.826513 0.052769\n1.031942 2.434762 7.280683\nLi Cr O\n7 2 8\ndirect\n0.763487 0.224010 0.010701 Li\n0.269164 0.230158 0.208566 Li\n0.713219 0.063359 0.453906 Li\n0.241326 0.950720 0.541768 Li\n0.801065 0.515973 0.565989 Li\n0.726046 0.772806 0.813176 Li\n0.220739 0.800337 -0.002467 Li\n0.295223 0.370839 0.767409 Cr\n0.702458 0.622462 0.226802 Cr\n0.557994 0.490716 0.787930 O\n0.844591 0.815084 0.028525 O\n0.496747 0.473920 0.161521 O\n0.945734 0.307149 0.382009 O\n0.545630 0.850323 0.364739 O\n0.433179 0.111003 0.655431 O\n0.026038 0.688059 0.638321 O\n0.163405 0.203186 0.980887 O\n",
"nsites": 17,
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"elements": [
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],
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"density": 2.6044738103672285,
"density_atomic": 0.09503241715999354,
"volume": 178.88632645615382,
"volume_molar": 6.336933164460413,
"formula_full": "Li7 Cr2 O8",
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"formula_anonymous": "A2B7C8",
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},
{
"id": "jvasp-30216",
"created_at": "2022-09-04T14:37:28.748173Z",
"updated_at": "2022-09-04T14:37:28.748197Z",
"structure_string": "Sb16 Cl4 O22\n1.0\n15.269649 0.000000 12.090232\n0.000000 4.174292 0.000000\n-2.517010 0.000000 10.682779\nSb Cl O\n16 4 22\ndirect\n0.976128 0.679251 0.712609 Sb\n0.023872 0.320749 0.287391 Sb\n0.737897 0.017533 0.125782 Sb\n0.762103 0.517533 0.374218 Sb\n0.777676 0.539723 0.865904 Sb\n0.722324 0.039723 0.634096 Sb\n0.572427 0.322181 0.375903 Sb\n0.476128 0.820749 0.212609 Sb\n0.927573 0.822181 0.124097 Sb\n0.427573 0.677818 0.624097 Sb\n0.277676 0.960276 0.365904 Sb\n0.222324 0.460276 0.134096 Sb\n0.237897 0.482467 0.625782 Sb\n0.262103 0.982467 0.874218 Sb\n0.523872 0.179251 0.787391 Sb\n0.072427 0.177819 0.875903 Sb\n0.597235 0.529122 0.891109 Cl\n0.902765 0.029122 0.608891 Cl\n0.097235 0.970878 0.391109 Cl\n0.402765 0.470878 0.108891 Cl\n0.500000 0.000000 0.500000 O\n0.729487 0.531647 0.073513 O\n0.879466 0.587676 0.870820 O\n0.743473 0.536089 0.567898 O\n0.770513 0.031647 0.426486 O\n0.624532 0.994186 0.232237 O\n0.499711 0.428299 0.295784 O\n0.756527 0.036089 0.932102 O\n0.620534 0.087676 0.629180 O\n0.379466 0.912323 0.370820 O\n-0.000289 0.071701 0.795784 O\n0.500289 0.571701 0.704216 O\n0.375468 0.005813 0.767763 O\n0.229487 0.968352 0.573514 O\n0.256527 0.463911 0.432102 O\n0.120534 0.412323 0.129180 O\n0.000000 0.500000 0.000000 O\n0.270513 0.468352 0.926487 O\n0.124532 0.505813 0.732237 O\n0.875468 0.494186 0.267763 O\n0.243473 0.963910 0.067898 O\n0.000289 0.928299 0.204216 O\n",
"nsites": 42,
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"elements": [
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],
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"density": 5.018842063879632,
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"formula_full": "Sb16 Cl4 O22",
"formula_reduced": "Sb8Cl2O11",
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"spacegroup": 14
},
{
"id": "jvasp-119487",
"created_at": "2022-09-04T14:38:49.884998Z",
"updated_at": "2022-09-04T14:38:49.885023Z",
"structure_string": "Sb8 Cl2 O11\n1.0\n4.176857 0.046495 0.230259\n1.610475 8.657238 1.272040\n0.008385 0.094337 11.227260\nSb Cl O\n8 2 11\ndirect\n0.670999 0.519502 0.858238 Sb\n0.329004 0.480498 0.141762 Sb\n0.300082 0.042391 0.683700 Sb\n0.699921 0.957609 0.316300 Sb\n0.870050 0.850326 0.939593 Sb\n0.129953 0.149674 0.060407 Sb\n0.233858 0.449077 0.640816 Sb\n0.766145 0.550923 0.359184 Sb\n0.907704 0.193256 0.511258 Cl\n0.092299 0.806744 0.488742 Cl\n0.500000 -0.000000 0.000000 O\n0.434596 0.248852 0.142987 O\n0.565407 0.751148 0.857013 O\n0.085841 0.003291 0.211560 O\n0.714627 0.490484 0.684622 O\n0.822268 0.455247 0.199941 O\n0.177735 0.544753 0.800059 O\n0.285376 0.509516 0.315378 O\n0.286868 0.240856 0.744728 O\n0.914161 -0.003291 0.788440 O\n0.713135 0.759144 0.255272 O\n",
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],
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"formula_full": "Sb8 Cl2 O11",
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},
{
"id": "jvasp-101839",
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