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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=569",
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"results": [
{
"id": "jvasp-88482",
"created_at": "2022-09-04T14:36:00.383932Z",
"updated_at": "2022-09-04T14:36:00.383966Z",
"structure_string": "Sr4 Dy2 Sb2 O12\n1.0\n5.846431 0.000000 -0.020515\n0.000000 5.908477 0.000000\n-0.002140 0.000000 8.297199\nSr Dy Sb O\n4 2 2 12\ndirect\n0.508326 0.464673 0.749599 Sr\n0.008327 0.035327 0.249599 Sr\n0.491673 0.535327 0.250401 Sr\n0.991673 0.964673 0.750402 Sr\n-0.000000 0.500000 0.500000 Dy\n0.500000 0.000000 0.000000 Dy\n0.500000 0.000000 0.500000 Sb\n0.000000 0.500000 0.000000 Sb\n0.578888 0.978078 0.264157 O\n0.196526 0.774744 0.043001 O\n0.303474 0.274743 0.456999 O\n0.773615 0.199856 0.540687 O\n0.078888 0.521923 0.764156 O\n0.803473 0.225257 0.957000 O\n0.696526 0.725257 0.543001 O\n0.273616 0.300144 0.040687 O\n0.421111 0.021923 0.735844 O\n0.921111 0.478078 0.235844 O\n0.726384 0.699857 0.959314 O\n0.226384 0.800144 0.459314 O\n",
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"formula_full": "Sr4 Dy2 Sb2 O12",
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{
"id": "jvasp-95416",
"created_at": "2022-09-04T14:36:00.378651Z",
"updated_at": "2022-09-04T14:36:00.378683Z",
"structure_string": "Se8 Br8\n1.0\n4.855045 0.106619 0.000000\n-0.738408 7.388688 0.000000\n0.000000 0.000000 14.091743\nSe Br\n8 8\ndirect\n0.100704 0.381355 0.136444 Se\n0.399295 0.618646 0.636444 Se\n0.899295 0.618646 0.863556 Se\n0.600704 0.381355 0.363556 Se\n0.828392 0.206222 0.038018 Se\n0.671606 0.793779 0.538018 Se\n0.171606 0.793779 0.961981 Se\n0.328393 0.206222 0.461982 Se\n0.863670 0.663523 0.145527 Br\n0.636328 0.336478 0.645527 Br\n0.136329 0.336478 0.854473 Br\n0.363670 0.663523 0.354473 Br\n0.493124 0.042985 0.147149 Br\n0.006875 0.957016 0.647149 Br\n0.506875 0.957016 0.852851 Br\n0.993123 0.042985 0.352851 Br\n",
"nsites": 16,
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"elements": [
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"volume": 506.6142402828404,
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"formula_full": "Se8 Br8",
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"spacegroup": 14
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{
"id": "jvasp-85283",
"created_at": "2022-09-04T14:36:00.490099Z",
"updated_at": "2022-09-04T14:36:00.490134Z",
"structure_string": "I8 Cl8\n1.0\n4.327785 0.000000 0.000000\n0.000000 15.209240 -1.534987\n0.000000 1.952732 8.575751\nI Cl\n8 8\ndirect\n0.512219 0.764401 0.178638 I\n0.012220 0.735599 0.821362 I\n0.753238 0.410873 0.745817 I\n0.746760 0.910873 0.745817 I\n0.253239 0.089127 0.254183 I\n-0.012220 0.264401 0.178638 I\n0.246761 0.589127 0.254183 I\n0.487780 0.235599 0.821362 I\n0.255969 0.585243 0.931012 Cl\n0.744029 0.414757 0.068987 Cl\n0.238807 0.596323 0.527635 Cl\n0.755969 0.914757 0.068987 Cl\n0.261193 0.096323 0.527636 Cl\n0.244030 0.085243 0.931013 Cl\n0.761192 0.403677 0.472364 Cl\n-0.261193 0.903677 0.472364 Cl\n",
"nsites": 16,
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"density": 3.735067606538113,
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"volume_molar": 21.734207656601896,
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{
"id": "jvasp-95080",
"created_at": "2022-09-04T14:36:00.539405Z",
"updated_at": "2022-09-04T14:36:00.539431Z",
"structure_string": "Na10 Fe6 F28\n1.0\n7.226892 0.000000 0.000000\n0.000000 7.372795 -0.076794\n0.000000 0.036323 10.362023\nNa Fe F\n10 6 28\ndirect\n0.312131 0.762633 0.748485 Na\n0.187869 0.262633 0.248485 Na\n0.687869 0.237366 0.251515 Na\n0.721494 0.222688 0.735977 Na\n0.221494 0.277311 0.764023 Na\n0.778506 0.722688 0.235977 Na\n0.000000 -0.000000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.278506 0.777311 0.264023 Na\n0.812131 0.737366 0.751515 Na\n0.500000 -0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.000000 0.000000 0.000000 Fe\n0.500000 0.499999 0.500000 Fe\n0.000000 0.499999 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.909082 0.750956 0.986018 F\n0.839869 0.453690 0.853108 F\n0.090918 0.249043 0.013982 F\n0.034620 0.971484 0.183617 F\n0.486154 0.198022 0.891390 F\n0.758200 0.571472 0.541761 F\n0.258201 0.928526 0.958239 F\n0.590918 0.250957 0.486018 F\n0.534620 0.528515 0.316384 F\n0.284178 0.041280 0.389832 F\n0.465380 0.471484 0.683616 F\n0.513846 0.801977 0.108611 F\n0.013846 0.698021 0.391390 F\n0.569953 0.846578 0.866279 F\n0.339869 0.046309 0.646892 F\n0.069953 0.653420 0.633721 F\n0.741799 0.071473 0.041761 F\n0.215822 0.541279 0.889833 F\n0.930047 0.346579 0.366279 F\n0.160131 0.546309 0.146892 F\n0.430046 0.153421 0.133721 F\n0.784178 0.458720 0.110168 F\n0.965379 0.028515 0.816383 F\n0.660131 0.953690 0.353108 F\n0.409082 0.749042 0.513982 F\n0.715822 0.958719 0.610168 F\n0.986154 0.301977 0.608610 F\n0.241799 0.428527 0.458239 F\n",
"nsites": 44,
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"elements": [
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],
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"density": 3.2989907788632356,
"density_atomic": 0.07969086573286935,
"volume": 552.1335424751413,
"volume_molar": 7.556877070688045,
"formula_full": "Na10 Fe6 F28",
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"formula_anonymous": "A3B5C14",
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{
"id": "jvasp-97866",
"created_at": "2022-09-04T14:36:00.540546Z",
"updated_at": "2022-09-04T14:36:00.540575Z",
"structure_string": "Cd8 S8 O24\n1.0\n5.620448 0.014840 0.000000\n-1.473066 8.373730 0.000000\n0.000000 0.000000 12.609381\nCd S O\n8 8 24\ndirect\n0.676915 0.881951 0.420127 Cd\n0.132970 0.644203 0.256161 Cd\n0.323084 0.618048 0.920126 Cd\n0.867030 0.355797 0.743839 Cd\n0.867029 0.855797 0.756161 Cd\n0.323084 0.118048 0.579873 Cd\n0.676916 0.381951 0.079873 Cd\n0.132970 0.144203 0.243839 Cd\n0.905589 0.258389 0.475256 S\n0.905589 0.758389 0.024744 S\n0.094410 0.241611 0.975256 S\n0.094410 0.741611 0.524744 S\n0.462904 0.031766 0.828649 S\n0.537096 0.968234 0.171351 S\n0.537096 0.468234 0.328649 S\n0.462904 0.531766 0.671351 S\n0.995416 0.738746 0.409766 O\n0.754558 0.984445 0.250732 O\n0.336753 0.861292 0.525781 O\n0.004584 0.261254 0.590234 O\n0.915009 0.340162 0.921877 O\n0.084990 0.659838 0.078123 O\n0.684589 0.588595 0.745822 O\n0.754559 0.484445 0.249268 O\n0.509927 0.861169 0.852597 O\n0.490072 0.138831 0.147403 O\n0.245441 0.515555 0.750732 O\n0.684589 0.088595 0.754178 O\n0.004583 0.761254 0.909766 O\n0.490072 0.638831 0.352597 O\n0.245441 0.015555 0.749267 O\n0.336754 0.361292 0.974219 O\n0.509928 0.361169 0.647403 O\n0.315411 0.411405 0.254178 O\n0.663246 0.138708 0.474219 O\n0.915009 0.840162 0.578123 O\n0.315410 0.911405 0.245822 O\n0.995416 0.238746 0.090234 O\n0.663246 0.638708 0.025781 O\n0.084991 0.159838 0.421877 O\n",
"nsites": 40,
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"elements": [
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],
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"density": 4.306518118626487,
"density_atomic": 0.06737125886176298,
"volume": 593.7249900892423,
"volume_molar": 8.938738657617556,
"formula_full": "Cd8 S8 O24",
"formula_reduced": "CdSO3",
"formula_anonymous": "ABC3",
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"spacegroup": 14
},
{
"id": "jvasp-47992",
"created_at": "2022-09-04T14:36:00.632907Z",
"updated_at": "2022-09-04T14:36:00.632933Z",
"structure_string": "Li4 Mn6 F16\n1.0\n0.000000 5.771163 0.076847\n8.570735 0.000000 0.000000\n0.000000 -4.824092 -7.917797\nLi Mn F\n4 6 16\ndirect\n0.876307 0.299224 0.815960 Li\n0.123693 0.799224 0.684040 Li\n0.876306 0.200775 0.315960 Li\n0.123693 0.700775 0.184040 Li\n0.493315 0.643728 0.608060 Mn\n0.500000 0.500000 -0.000000 Mn\n0.506685 0.143728 0.891940 Mn\n0.506685 0.356272 0.391940 Mn\n0.500000 0.000000 0.500000 Mn\n0.493314 0.856272 0.108060 Mn\n0.713308 0.057804 0.141133 F\n0.754548 0.347059 0.963569 F\n0.240808 0.201783 0.397829 F\n0.245452 0.847059 0.536431 F\n0.336452 0.608843 0.756633 F\n0.759191 0.701783 0.102170 F\n0.286692 0.942195 0.858867 F\n0.245451 0.652941 0.036431 F\n0.663547 0.391157 0.243367 F\n0.754548 0.152941 0.463569 F\n0.759192 0.798217 0.602171 F\n0.286691 0.557804 0.358867 F\n0.713308 0.442196 0.641133 F\n0.336452 0.891156 0.256633 F\n0.240808 0.298217 0.897829 F\n0.663548 0.108843 0.743367 F\n",
"nsites": 26,
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"elements": [
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"density_atomic": 0.06693069338253978,
"volume": 388.4615366435547,
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"formula_full": "Li4 Mn6 F16",
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{
"id": "jvasp-98035",
"created_at": "2022-09-04T14:36:00.667111Z",
"updated_at": "2022-09-04T14:36:00.667136Z",
"structure_string": "La4 As4 O16\n1.0\n6.830676 -0.013089 0.000000\n-1.785298 6.827522 0.000000\n0.000000 0.000000 7.253919\nLa As O\n4 4 16\ndirect\n0.400886 0.218501 0.153314 La\n0.599115 0.781499 0.846686 La\n0.900886 0.718501 0.346686 La\n0.099115 0.281499 0.653314 La\n0.886054 0.196690 0.163056 As\n0.613946 0.303310 0.663056 As\n0.113946 0.803310 0.836944 As\n0.386054 0.696690 0.336944 As\n0.570974 0.747041 0.503898 O\n0.929026 0.752958 0.003898 O\n0.429026 0.252958 0.496102 O\n0.070974 0.247042 0.996102 O\n0.171299 0.515949 0.390290 O\n0.723899 0.116705 0.713811 O\n0.776102 0.383295 0.213811 O\n0.003679 0.108527 0.342545 O\n0.496321 0.391473 0.842545 O\n0.996321 0.891473 0.657456 O\n0.503679 0.608526 0.157456 O\n0.671300 0.015950 0.109710 O\n0.828701 0.484050 0.609711 O\n0.328700 0.984050 0.890290 O\n0.223898 0.616705 0.786189 O\n0.276101 0.883294 0.286189 O\n",
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{
"id": "jvasp-91411",
"created_at": "2022-09-04T14:36:00.999015Z",
"updated_at": "2022-09-04T14:36:00.999025Z",
"structure_string": "Ba8 Sn4 S16\n1.0\n8.122023 0.000000 -2.722271\n0.000000 8.571933 0.000000\n-0.159548 0.000000 11.817070\nBa Sn S\n8 4 16\ndirect\n0.307417 0.804369 0.350063 Ba\n0.192583 0.304369 0.149937 Ba\n0.692583 0.195630 0.649937 Ba\n0.807416 0.695630 0.850063 Ba\n0.737533 0.874671 0.164399 Ba\n0.762467 0.374671 0.335601 Ba\n0.262467 0.125329 0.835601 Ba\n0.237533 0.625329 0.664399 Ba\n0.308866 0.686897 0.008707 Sn\n0.191133 0.186898 0.491293 Sn\n0.691133 0.313102 0.991293 Sn\n0.808866 0.813102 0.508707 Sn\n0.024572 0.307768 0.598955 S\n0.475427 0.807768 0.901045 S\n0.642730 0.614554 0.555102 S\n0.857270 0.114554 0.944898 S\n0.357270 0.385446 0.444898 S\n0.142730 0.885446 0.055102 S\n0.476048 0.600013 0.206254 S\n0.133984 0.481313 0.890193 S\n0.523951 0.399986 0.793746 S\n0.976048 0.899986 0.706254 S\n0.866016 0.518686 0.109807 S\n0.633984 0.018686 0.390194 S\n0.524572 0.192231 0.098955 S\n0.366016 0.981313 0.609806 S\n0.023951 0.100014 0.293746 S\n0.975427 0.692231 0.401045 S\n",
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"formula_full": "Ba8 Sn4 S16",
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{
"id": "jvasp-96784",
"created_at": "2022-09-04T14:36:01.395253Z",
"updated_at": "2022-09-04T14:36:01.395273Z",
"structure_string": "Sr8 Rh4 F28\n1.0\n5.526801 0.011828 0.000000\n-0.129647 8.670283 0.000000\n0.000000 0.000000 11.735853\nSr Rh F\n8 4 28\ndirect\n0.773984 0.845581 0.559642 Sr\n0.226015 0.654418 0.059642 Sr\n0.226015 0.154419 0.440357 Sr\n0.773984 0.345581 0.940357 Sr\n0.234983 0.554792 0.707742 Sr\n0.765016 0.945208 0.207742 Sr\n0.765017 0.445208 0.292258 Sr\n0.234983 0.054792 0.792258 Sr\n0.687963 0.320835 0.632556 Rh\n0.312037 0.179165 0.132557 Rh\n0.687963 0.820835 0.867443 Rh\n0.312036 0.679165 0.367443 Rh\n0.761982 0.043100 0.835359 F\n0.418872 0.396977 0.101345 F\n0.238017 0.956900 0.164641 F\n0.761982 0.543099 0.664641 F\n0.238018 0.456900 0.335359 F\n0.010723 0.212617 0.226739 F\n0.514411 0.687010 0.223694 F\n0.514411 0.187010 0.276306 F\n0.485588 0.312990 0.776306 F\n0.989277 0.287383 0.726739 F\n0.581127 0.103023 0.601345 F\n0.485588 0.812990 0.723693 F\n0.581127 0.603023 0.898655 F\n0.866754 0.824498 0.015697 F\n0.617179 0.126045 0.053966 F\n0.382820 0.373955 0.553966 F\n0.382820 0.873955 0.946034 F\n0.617179 0.626045 0.446034 F\n0.010722 0.712617 0.273261 F\n0.133245 0.675501 0.515697 F\n0.133245 0.175501 0.984303 F\n0.866755 0.324499 0.484303 F\n0.894101 0.489114 0.105448 F\n0.105898 0.010886 0.605448 F\n0.105898 0.510885 0.894551 F\n0.894101 0.989114 0.394552 F\n0.418872 0.896977 0.398655 F\n0.989277 0.787383 0.773261 F\n",
"nsites": 40,
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"volume": 562.3875002989204,
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"formula_full": "Sr8 Rh4 F28",
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},
{
"id": "jvasp-97973",
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"density": 3.1576790110005772,
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"formula_full": "Mg16 Si16 O48",
"formula_reduced": "MgSiO3",
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{
"id": "jvasp-97372",
"created_at": "2022-09-04T14:36:01.706333Z",
"updated_at": "2022-09-04T14:36:01.706362Z",
"structure_string": "Na16 Be8 O16\n1.0\n5.300912 0.000000 0.000000\n0.000000 7.772911 -1.224938\n0.000000 0.059079 11.439631\nNa Be O\n16 8 16\ndirect\n0.443226 0.661159 0.485103 Na\n0.558596 0.838861 0.014877 Na\n0.058597 0.161139 0.985123 Na\n0.948624 0.697660 0.624443 Na\n0.448624 0.302340 0.375557 Na\n0.382257 0.497023 0.918164 Na\n0.882256 0.502977 0.081835 Na\n0.119605 0.996998 0.418196 Na\n0.619605 0.003002 0.581804 Na\n0.168291 0.070497 0.715463 Na\n0.668291 0.929503 0.284537 Na\n0.333573 0.570445 0.215457 Na\n0.833572 0.429555 0.784543 Na\n0.053273 0.802323 0.875528 Na\n0.553273 0.197678 0.124471 Na\n0.943225 0.338841 0.514897 Na\n0.618424 0.134574 0.872710 Be\n0.118424 0.865426 0.127289 Be\n0.883386 0.634499 0.372718 Be\n0.383386 0.365501 0.627282 Be\n0.543384 0.879339 0.788610 Be\n0.043385 0.120661 0.211390 Be\n0.458538 0.620738 0.711368 Be\n0.958538 0.379262 0.288632 Be\n0.193427 0.693470 0.055507 O\n0.227175 0.479576 0.728178 O\n0.727174 0.520424 0.271822 O\n0.693427 0.306530 0.944493 O\n0.274650 0.979464 0.228198 O\n0.884873 0.981444 0.108583 O\n0.384873 0.018556 0.891416 O\n0.616978 0.481490 0.608575 O\n0.635337 0.696051 0.826898 O\n0.135337 0.303949 0.173101 O\n0.366565 0.804021 0.673075 O\n0.866565 0.195979 0.326925 O\n0.116978 0.518510 0.391425 O\n0.308414 0.193525 0.555520 O\n0.774650 0.020536 0.771801 O\n0.808414 0.806475 0.444480 O\n",
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{
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}
]
}