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{
"count": 55712,
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"results": [
{
"id": "jvasp-97982",
"created_at": "2022-09-04T14:36:19.516454Z",
"updated_at": "2022-09-04T14:36:19.516481Z",
"structure_string": "Ba8 Cd8 Sn8 S32\n1.0\n12.296289 0.017513 -3.431725\n-7.041403 10.080559 -3.431725\n-0.006221 -0.011954 12.849590\nBa Cd Sn S\n8 8 8 32\ndirect\n0.998622 0.998622 0.000001 Ba\n0.245033 0.242817 0.495044 Ba\n0.747773 0.749989 0.504957 Ba\n0.992817 0.495033 0.995044 Ba\n0.748622 0.248622 0.500000 Ba\n0.244700 0.744700 0.500000 Ba\n0.494700 0.494700 0.000000 Ba\n0.499989 0.997773 0.004957 Ba\n0.329707 0.978731 0.249516 Cd\n0.830192 0.979215 0.250485 Cd\n0.728731 0.579707 0.749516 Cd\n0.729215 0.080192 0.750485 Cd\n0.261189 0.485809 0.248329 Cd\n0.237481 0.012860 0.751672 Cd\n0.762860 0.487481 0.251672 Cd\n0.235810 0.511189 0.748329 Cd\n0.487056 0.763246 0.250972 Sn\n0.512275 0.236085 0.749029 Sn\n0.016634 0.652398 0.750296 Sn\n0.402398 0.266633 0.250295 Sn\n0.016338 0.152103 0.749705 Sn\n0.513247 0.737056 0.750972 Sn\n0.902103 0.266338 0.249705 Sn\n0.986085 0.762275 0.249030 Sn\n0.294819 0.052565 0.077493 S\n0.967326 0.225072 0.422507 S\n0.802565 0.544819 0.577494 S\n0.975072 0.217326 0.922507 S\n0.465233 0.222713 0.421889 S\n0.302015 0.041786 0.579078 S\n0.800824 0.043344 0.578111 S\n0.972714 0.715233 0.921890 S\n0.793344 0.050824 0.078111 S\n0.476559 0.215065 0.921638 S\n0.293427 0.554922 0.078363 S\n0.965065 0.726559 0.421638 S\n0.304922 0.543427 0.578363 S\n0.180126 0.765979 0.248500 S\n0.517479 0.931626 0.751501 S\n0.515979 0.430125 0.748500 S\n0.681626 0.767479 0.251501 S\n0.472938 0.712709 0.920923 S\n0.212848 0.273071 0.248572 S\n0.023072 0.462848 0.748573 S\n0.714275 0.274499 0.251428 S\n0.047091 0.468394 0.246998 S\n0.221397 0.800093 0.753003 S\n0.218394 0.297091 0.746998 S\n0.550093 0.471396 0.253003 S\n0.028978 0.965184 0.246840 S\n0.718344 0.782138 0.753161 S\n0.715184 0.278977 0.746840 S\n0.532138 0.968344 0.253161 S\n0.462709 0.722937 0.420923 S\n0.024500 0.964276 0.751428 S\n0.791786 0.552015 0.079078 S\n",
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"elements": [
"Ba",
"Cd",
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"S"
],
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"density": 4.141285213826088,
"density_atomic": 0.035146568498011205,
"volume": 1593.3276673416583,
"volume_molar": 17.134363374167716,
"formula_full": "Ba8 Cd8 Sn8 S32",
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"formula_anonymous": "ABCD4",
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},
{
"id": "jvasp-98074",
"created_at": "2022-09-04T14:36:02.376400Z",
"updated_at": "2022-09-04T14:36:02.376422Z",
"structure_string": "Ca8 Bi16 O32\n1.0\n9.398200 -0.065118 -3.872556\n-4.633707 8.860136 -1.833728\n0.049152 0.081279 11.786541\nCa Bi O\n8 16 32\ndirect\n0.341471 0.921425 0.339462 Ca\n0.473273 0.647354 0.418001 Ca\n0.658529 0.078575 0.660537 Ca\n0.418035 0.497987 0.839466 Ca\n0.229366 0.555273 0.081999 Ca\n0.526726 0.352647 0.581999 Ca\n0.770633 0.444727 0.918000 Ca\n0.581965 0.502013 0.160534 Ca\n0.063975 0.157460 0.781745 Bi\n0.862663 0.673988 0.504619 Bi\n0.727860 0.748452 0.765954 Bi\n0.936024 0.842540 0.218254 Bi\n0.375734 0.782239 0.718264 Bi\n0.137336 0.326013 0.495381 Bi\n0.540756 0.852795 0.066615 Bi\n0.272139 0.251549 0.234046 Bi\n0.459244 0.147205 0.933384 Bi\n0.169367 0.858030 0.995369 Bi\n0.830632 0.141970 0.004631 Bi\n0.624265 0.217761 0.281736 Bi\n0.017493 0.538094 0.265929 Bi\n0.982506 0.461906 0.734070 Bi\n0.213818 0.025882 0.566595 Bi\n0.786182 0.974119 0.433404 Bi\n0.120574 0.919647 0.165393 O\n0.857513 0.598847 0.133323 O\n0.311418 0.398636 0.428330 O\n0.419894 0.082436 0.547140 O\n0.329785 0.826243 0.900112 O\n0.919797 0.199575 0.616158 O\n0.583468 0.803689 0.883855 O\n0.580106 0.917565 0.452860 O\n0.535274 0.372735 0.952856 O\n0.080202 0.800425 0.383842 O\n0.688582 0.601365 0.571669 O\n0.630317 0.138072 0.852005 O\n0.073863 0.070341 0.400087 O\n0.379835 0.460102 0.215959 O\n0.464726 0.627265 0.047144 O\n0.244146 0.663880 0.284029 O\n0.534486 0.775796 0.633325 O\n0.465513 0.224205 0.366675 O\n0.754223 0.455162 0.334573 O\n0.142487 0.401153 0.866676 O\n0.286096 0.278337 0.647983 O\n0.755854 0.336120 0.715971 O\n0.620165 0.539898 0.784041 O\n0.029715 0.616895 0.928352 O\n0.369682 0.861928 0.147994 O\n0.970285 0.383106 0.071648 O\n0.713903 0.721664 0.352016 O\n0.416531 0.196311 0.116144 O\n0.670214 0.173758 0.099887 O\n0.245777 0.544838 0.665427 O\n0.879425 0.080353 0.834606 O\n0.926137 0.929659 0.599913 O\n",
"nsites": 56,
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"elements": [
"Ca",
"Bi",
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],
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"density": 7.0587582024719735,
"density_atomic": 0.05700021081010186,
"volume": 982.4525068260871,
"volume_molar": 10.565120153788497,
"formula_full": "Ca8 Bi16 O32",
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"formula_anonymous": "AB2C4",
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"spacegroup": 15
},
{
"id": "jvasp-91433",
"created_at": "2022-09-04T14:36:19.891164Z",
"updated_at": "2022-09-04T14:36:19.891181Z",
"structure_string": "As4 I4 F48\n1.0\n9.302260 -0.000000 0.000000\n0.000000 9.302260 0.000000\n0.000000 0.000000 9.302260\nAs I F\n4 4 48\ndirect\n0.000000 0.000000 0.500000 As\n0.000000 0.500000 0.000000 As\n0.500000 0.000000 0.000000 As\n0.500000 0.500000 0.500000 As\n0.000000 0.000000 0.000000 I\n0.500000 0.000000 0.500000 I\n0.500000 0.500000 0.000000 I\n0.000000 0.500000 0.500000 I\n0.855789 0.561960 0.108766 F\n0.382043 0.643710 0.936211 F\n0.143710 0.936211 0.117957 F\n0.438040 0.891234 0.144211 F\n0.143710 0.563789 0.617957 F\n0.144211 0.061960 0.391234 F\n0.391234 0.144211 0.061960 F\n0.891234 0.144211 0.438040 F\n0.063789 0.882043 0.856290 F\n0.856290 0.436211 0.382043 F\n0.563789 0.617957 0.143710 F\n0.608766 0.855789 0.938040 F\n0.117957 0.356290 0.436211 F\n0.644211 0.438040 0.608766 F\n0.436211 0.382043 0.856290 F\n0.355789 0.561960 0.391234 F\n0.938040 0.608766 0.855789 F\n0.617957 0.143710 0.563789 F\n0.936211 0.382043 0.643710 F\n0.938040 0.891234 0.355789 F\n0.391234 0.355789 0.561960 F\n0.608766 0.644211 0.438040 F\n0.561960 0.108766 0.855789 F\n0.855789 0.938040 0.608766 F\n0.063789 0.617957 0.356290 F\n0.882043 0.643710 0.563789 F\n0.438040 0.608766 0.644211 F\n0.891234 0.355789 0.938040 F\n0.117957 0.143710 0.936211 F\n0.356290 0.436211 0.117957 F\n0.382043 0.856290 0.436211 F\n0.355789 0.938040 0.891234 F\n0.061960 0.391234 0.144211 F\n0.356290 0.063789 0.617957 F\n0.882043 0.856290 0.063789 F\n0.061960 0.108766 0.644211 F\n0.561960 0.391234 0.355789 F\n0.856290 0.063789 0.882043 F\n0.436211 0.117957 0.356290 F\n0.144211 0.438040 0.891234 F\n0.643710 0.563789 0.882043 F\n0.643710 0.936211 0.382043 F\n0.644211 0.061960 0.108766 F\n0.617957 0.356290 0.063789 F\n0.108766 0.855789 0.561960 F\n0.936211 0.117957 0.143710 F\n0.108766 0.644211 0.061960 F\n0.563789 0.882043 0.643710 F\n",
"nsites": 56,
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],
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"density": 3.546639598168201,
"density_atomic": 0.0695700963971654,
"volume": 804.9435447135833,
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"formula_full": "As4 I4 F48",
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},
{
"id": "jvasp-89396",
"created_at": "2022-09-04T14:36:09.417841Z",
"updated_at": "2022-09-04T14:36:09.417871Z",
"structure_string": "Na4 Cd4 H12 C12 O24\n1.0\n6.389318 -0.000000 0.000000\n0.000000 7.191735 0.000000\n0.000000 0.000000 14.499252\nNa Cd H C O\n4 4 12 12 24\ndirect\n0.750000 0.500000 0.279898 Na\n0.250000 0.500000 0.220102 Na\n0.750000 0.500000 0.779898 Na\n0.250000 0.500000 0.720102 Na\n0.750000 0.000000 0.427894 Cd\n0.250000 0.000000 0.572105 Cd\n0.750000 0.000000 0.927894 Cd\n0.250000 0.000000 0.072106 Cd\n0.693908 0.328096 0.073436 H\n0.193907 0.328096 0.926564 H\n0.306093 0.671904 0.926564 H\n0.806093 0.671904 0.073436 H\n0.500000 0.055852 0.750000 H\n0.693908 0.671904 0.573436 H\n0.193907 0.671904 0.426564 H\n0.500000 0.944149 0.250000 H\n0.306093 0.328096 0.426564 H\n0.000000 0.055852 0.250000 H\n0.000000 0.944149 0.750000 H\n0.806093 0.328096 0.573436 H\n0.859386 0.706650 0.589205 C\n0.140614 0.706650 0.910795 C\n0.140614 0.293350 0.410795 C\n0.359386 0.706650 0.410795 C\n0.000000 0.901145 0.250000 C\n0.359386 0.293350 0.910795 C\n0.500000 0.098856 0.250000 C\n0.640614 0.293350 0.589205 C\n0.500000 0.901145 0.750000 C\n0.859386 0.293350 0.089205 C\n0.000000 0.098856 0.750000 C\n0.640614 0.706650 0.089205 C\n0.103645 0.817696 0.187779 O\n0.546412 0.380608 0.650628 O\n0.103645 0.182305 0.687778 O\n0.396355 0.182305 0.187779 O\n0.061628 0.839894 0.959020 O\n0.953588 0.380608 0.150628 O\n0.546412 0.619393 0.150628 O\n0.896355 0.817696 0.312221 O\n0.938372 0.160107 0.040980 O\n0.561628 0.160107 0.540980 O\n0.953588 0.619393 0.650628 O\n0.896355 0.182305 0.812221 O\n0.561628 0.839894 0.040980 O\n0.603645 0.817696 0.812221 O\n0.438372 0.839894 0.459020 O\n0.938372 0.839894 0.540980 O\n0.046412 0.619393 0.849371 O\n0.061628 0.160107 0.459020 O\n0.603645 0.182305 0.312221 O\n0.438372 0.160107 0.959020 O\n0.453588 0.380608 0.849371 O\n0.046412 0.380608 0.349371 O\n0.396355 0.817696 0.687778 O\n0.453588 0.619393 0.349371 O\n",
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"density_atomic": 0.08405319938634272,
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"volume_molar": 7.164677613662021,
"formula_full": "Na4 Cd4 H12 C12 O24",
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{
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"created_at": "2022-09-04T14:36:08.865199Z",
"updated_at": "2022-09-04T14:36:08.865226Z",
"structure_string": "K4 Na4 Li8 S8 O32\n1.0\n4.932380 0.000000 0.000000\n0.000000 7.736613 0.000000\n0.000000 0.000000 18.826173\nK Na Li S O\n4 4 8 8 32\ndirect\n0.003170 0.052133 0.071818 K\n-0.003170 0.552133 0.428182 K\n0.496830 0.947867 0.571818 K\n0.503170 0.447867 0.928182 K\n0.516781 0.249012 0.725718 Na\n0.483219 0.749012 0.774282 Na\n0.983219 0.750987 0.225718 Na\n0.016781 0.250988 0.274282 Na\n0.010728 0.749363 0.908528 Li\n0.489272 0.250636 0.408528 Li\n0.961812 0.606142 0.637929 Li\n0.538188 0.393858 0.137929 Li\n0.038188 0.106142 0.862070 Li\n0.461812 0.893858 0.362070 Li\n0.989272 0.249363 0.591472 Li\n0.510728 0.750636 0.091472 Li\n0.512908 0.953430 0.942485 S\n0.012908 0.546569 0.057515 S\n0.032343 0.969354 0.708707 S\n0.532343 0.530645 0.291293 S\n0.967657 0.469354 0.791293 S\n0.487092 0.453431 0.557515 S\n0.987092 0.046569 0.442485 S\n0.467657 0.030646 0.208707 S\n0.850704 0.472654 0.718495 O\n0.230530 0.531128 0.289235 O\n0.690295 0.033583 0.425458 O\n0.149296 0.972654 0.781505 O\n0.649296 0.527345 0.218495 O\n0.730530 0.968872 0.710765 O\n0.350704 0.027346 0.281505 O\n0.769470 0.031128 0.210765 O\n0.269470 0.468872 0.789235 O\n0.634190 0.688813 0.328357 O\n0.809705 0.966417 0.925458 O\n0.309705 0.533583 0.074542 O\n0.516246 0.430908 0.479422 O\n0.016246 0.069092 0.520577 O\n0.483754 0.930908 0.020577 O\n0.983754 0.569092 0.979422 O\n0.629028 0.613983 0.579496 O\n0.129028 0.886016 0.420504 O\n0.370972 0.113983 0.920504 O\n0.190295 0.466417 0.574542 O\n0.870972 0.386017 0.079496 O\n0.102485 0.198921 0.404684 O\n0.397515 0.801079 0.904684 O\n0.897515 0.698921 0.095315 O\n0.630615 0.374584 0.330100 O\n0.130615 0.125415 0.669900 O\n0.369385 0.874584 0.169900 O\n0.865810 0.311187 0.828357 O\n0.365810 0.188813 0.171643 O\n0.134190 0.811187 0.671642 O\n0.602485 0.301079 0.595315 O\n0.869385 0.625415 0.830100 O\n",
"nsites": 56,
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],
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"volume": 718.4051657653591,
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"formula_full": "K4 Na4 Li8 S8 O32",
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},
{
"id": "jvasp-87337",
"created_at": "2022-09-04T14:36:08.994049Z",
"updated_at": "2022-09-04T14:36:08.994068Z",
"structure_string": "Fe24 O32\n1.0\n8.144400 -0.000000 0.000000\n-0.000000 8.144400 0.000000\n-0.000000 -0.000000 8.144400\nFe O\n24 32\ndirect\n0.500000 0.500000 0.500000 Fe\n0.375000 0.375000 0.875000 Fe\n0.625000 0.625000 0.125000 Fe\n0.875000 0.375000 0.375000 Fe\n0.125000 0.625000 0.625000 Fe\n0.625000 0.125000 0.625000 Fe\n0.875000 0.875000 0.875000 Fe\n0.125000 0.125000 0.125000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.750000 0.750000 Fe\n0.500000 0.250000 0.250000 Fe\n0.000000 0.500000 0.000000 Fe\n0.375000 0.875000 0.375000 Fe\n0.750000 0.500000 0.750000 Fe\n0.250000 0.500000 0.250000 Fe\n0.250000 0.750000 0.000000 Fe\n0.750000 0.250000 0.000000 Fe\n0.250000 0.000000 0.750000 Fe\n0.750000 0.000000 0.250000 Fe\n0.000000 0.750000 0.250000 Fe\n0.500000 0.000000 0.000000 Fe\n0.250000 0.250000 0.500000 Fe\n0.750000 0.750000 0.500000 Fe\n0.000000 0.250000 0.750000 Fe\n0.511548 0.511548 0.738452 O\n0.988452 0.988452 0.261548 O\n0.988452 0.261548 0.988452 O\n0.011548 0.738452 0.011548 O\n0.011548 0.011548 0.738452 O\n0.511548 0.738452 0.511548 O\n0.738452 0.011548 0.011548 O\n0.761548 0.261548 0.761548 O\n0.238452 0.738452 0.238452 O\n0.261548 0.488452 0.488452 O\n0.738452 0.511548 0.511548 O\n0.261548 0.988452 0.988452 O\n0.488452 0.488452 0.261548 O\n0.488452 0.261548 0.488452 O\n0.738452 0.238452 0.238452 O\n0.511548 0.011548 0.238452 O\n0.761548 0.988452 0.488452 O\n0.238452 0.011548 0.511548 O\n0.488452 0.761548 0.988452 O\n0.511548 0.238452 0.011548 O\n0.988452 0.488452 0.761548 O\n0.011548 0.511548 0.238452 O\n0.238452 0.511548 0.011548 O\n0.761548 0.488452 0.988452 O\n0.011548 0.238452 0.511548 O\n0.988452 0.761548 0.488452 O\n0.761548 0.761548 0.261548 O\n0.488452 0.988452 0.761548 O\n0.738452 0.738452 0.738452 O\n0.261548 0.261548 0.261548 O\n0.261548 0.761548 0.761548 O\n0.238452 0.238452 0.738452 O\n",
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"formula_full": "Fe24 O32",
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{
"id": "jvasp-97312",
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