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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4600",
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"results": [
{
"id": "jvasp-43668",
"created_at": "2022-09-04T14:38:03.898964Z",
"updated_at": "2022-09-04T14:38:03.898987Z",
"structure_string": "Li1 V6 O7 F5\n1.0\n5.635565 -0.034241 0.079695\n1.740886 5.270783 0.067104\n2.438946 1.709449 6.827168\nLi V O F\n1 6 7 5\ndirect\n0.541639 0.022740 0.463723 Li\n0.005591 0.005969 0.003097 V\n0.305221 0.311642 0.175482 V\n0.652730 0.628708 0.298750 V\n0.335958 0.357567 0.675955 V\n0.008892 0.002896 0.499492 V\n0.702781 0.702543 0.826963 V\n0.221877 0.235761 0.965746 O\n0.643274 0.056056 0.667281 O\n0.043594 0.642226 0.663262 O\n0.368937 0.945410 0.324581 O\n0.434274 0.401011 0.366991 O\n0.788021 0.775214 0.025625 O\n0.956188 0.366984 0.330416 O\n0.313304 0.699356 0.002284 F\n0.881624 0.910396 0.305035 F\n0.124724 0.094428 0.698208 F\n0.565072 0.604660 0.630976 F\n0.694718 0.310316 0.990572 F\n",
"nsites": 19,
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"density_atomic": 0.0941709727894133,
"volume": 201.76068524308565,
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"formula_full": "Li1 V6 O7 F5",
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"formula_anonymous": "AB5C6D7",
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"spacegroup": 1
},
{
"id": "jvasp-30395",
"created_at": "2022-09-04T14:38:04.016206Z",
"updated_at": "2022-09-04T14:38:04.016241Z",
"structure_string": "V6 O5 F19\n1.0\n5.535916 -0.080368 -0.009576\n-0.073350 5.531808 -0.002645\n-2.740584 0.035528 12.268563\nV O F\n6 5 19\ndirect\n0.015852 0.063605 0.000647 V\n0.226429 0.456516 0.332936 V\n0.343117 0.061896 0.666109 V\n0.465631 0.568827 0.000317 V\n0.726900 0.955860 0.333661 V\n0.814749 0.533173 0.666150 V\n0.921563 0.746488 0.334401 O\n0.555451 0.276542 0.664936 O\n0.270462 0.783853 -0.000144 O\n0.218382 0.284444 0.001100 O\n0.423454 0.250088 0.332088 O\n0.587080 0.773411 0.664898 F\n0.931448 0.982197 0.861625 F\n0.764035 0.484078 0.525015 F\n0.593714 0.991384 0.193494 F\n0.896761 0.483553 0.807357 F\n0.722812 0.987932 0.473014 F\n0.559789 0.487572 0.138932 F\n0.427486 0.733940 0.330928 F\n0.232307 0.490391 0.473209 F\n0.421825 0.482984 0.862176 F\n0.255083 0.984038 0.527251 F\n0.081740 0.485832 0.193666 F\n0.402767 0.983954 0.804993 F\n0.933406 0.230515 0.335836 F\n0.070017 0.979442 0.139359 F\n0.067944 0.754858 0.667734 F\n0.077476 0.250709 0.667618 F\n0.741130 0.222246 0.000981 F\n0.751208 0.729680 0.999715 F\n",
"nsites": 30,
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],
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"density_atomic": 0.07989553305308122,
"volume": 375.4903291034871,
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"formula_full": "V6 O5 F19",
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"formula_anonymous": "A5B6C19",
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"spacegroup": 1
},
{
"id": "jvasp-30092",
"created_at": "2022-09-04T14:38:04.096451Z",
"updated_at": "2022-09-04T14:38:04.096486Z",
"structure_string": "Al12 S18\n1.0\n6.889837 -0.210934 -1.176951\n-3.553316 5.915123 0.562308\n-2.850383 0.041485 17.506953\nAl S\n12 18\ndirect\n0.715135 0.156597 0.844234 Al\n0.648569 0.539921 0.407667 Al\n0.211502 0.905461 0.649720 Al\n0.269518 0.171028 0.923950 Al\n0.452429 0.763113 0.263667 Al\n0.944052 0.731339 0.262674 Al\n0.230828 0.810696 0.124651 Al\n0.542108 0.996207 0.469154 Al\n0.266537 0.718328 0.953348 Al\n0.554922 0.404448 0.600659 Al\n0.366458 0.271646 0.211272 Al\n0.673994 0.715412 0.836357 Al\n0.660629 0.873433 0.938847 S\n0.120055 0.395577 0.872209 S\n0.835547 0.873231 0.337493 S\n0.841032 0.356885 0.460507 S\n0.013411 0.947191 0.148570 S\n0.604034 0.369207 0.881740 S\n0.588582 0.682048 0.502140 S\n0.935481 0.551813 0.673841 S\n0.066023 0.856491 0.845212 S\n0.056301 0.480067 0.046701 S\n0.291553 0.383427 0.306523 S\n0.582582 0.930525 0.736462 S\n0.438371 0.052483 0.036741 S\n0.334852 0.039896 0.533417 S\n0.333755 0.903737 0.335982 S\n0.738423 0.359338 0.230241 S\n0.290485 0.256658 0.671657 S\n0.392845 0.503814 0.098486 S\n",
"nsites": 30,
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"elements": [
"Al",
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],
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"density": 2.1972844469099044,
"density_atomic": 0.04406142007265598,
"volume": 680.8677512102626,
"volume_molar": 13.66760478910954,
"formula_full": "Al12 S18",
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"formula_anonymous": "A2B3",
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"spacegroup": 1
},
{
"id": "jvasp-9284",
"created_at": "2022-09-04T14:38:04.359961Z",
"updated_at": "2022-09-04T14:38:04.359988Z",
"structure_string": "Zn1 Bi4 O8\n1.0\n3.503546 -0.026217 -0.190215\n1.635342 6.870591 0.349383\n1.179116 2.562032 8.874157\nZn Bi O\n1 4 8\ndirect\n0.582821 0.808640 0.808876 Zn\n0.426383 0.731516 0.486020 Bi\n-0.010197 0.300094 0.854117 Bi\n0.084154 0.641218 0.120202 Bi\n0.723337 0.188803 0.479508 Bi\n0.168208 0.386697 0.327210 O\n0.509716 0.766729 0.201353 O\n0.546101 0.262377 0.720844 O\n0.903041 0.614872 0.697300 O\n0.855714 -0.061698 0.379160 O\n0.026906 0.878238 0.901994 O\n0.309996 0.970668 0.601444 O\n0.651424 0.521202 0.013183 O\n",
"nsites": 13,
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"elements": [
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"O"
],
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"density": 8.078008923623724,
"density_atomic": 0.06143922445160933,
"volume": 211.59121255248007,
"volume_molar": 9.801785119770107,
"formula_full": "Zn1 Bi4 O8",
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"formula_anonymous": "AB4C8",
"energy_above_hull": 1.9216388923076924,
"spacegroup": 1
},
{
"id": "jvasp-46982",
"created_at": "2022-09-04T14:38:04.444432Z",
"updated_at": "2022-09-04T14:38:04.444452Z",
"structure_string": "Mn6 O1 F11\n1.0\n4.841970 -0.002810 -0.005241\n0.092033 5.850108 -0.005149\n0.126937 0.293474 8.153521\nMn O F\n6 1 11\ndirect\n0.515614 0.487727 0.992431 Mn\n0.497631 0.166520 0.336313 Mn\n0.502445 0.834126 0.667305 Mn\n0.013589 0.657944 0.325939 Mn\n0.978934 0.338290 0.683846 Mn\n0.982192 0.020800 0.996538 Mn\n0.796630 0.299601 0.897690 O\n0.186261 0.360111 0.449191 F\n0.299323 0.208878 0.105489 F\n0.302491 0.535655 0.765944 F\n0.310406 0.862044 0.431299 F\n0.809964 0.961954 0.234041 F\n0.691193 0.466270 0.231920 F\n0.700946 0.791533 0.900161 F\n0.197936 0.035020 0.766267 F\n0.806124 0.635043 0.561206 F\n0.698724 0.132978 0.565299 F\n0.209599 0.705504 0.089123 F\n",
"nsites": 18,
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"elements": [
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],
"chemical_system": "F-Mn-O",
"density": 3.9873184765554854,
"density_atomic": 0.07793213146869865,
"volume": 230.97020010584055,
"volume_molar": 7.727416980015215,
"formula_full": "Mn6 O1 F11",
"formula_reduced": "Mn6OF11",
"formula_anonymous": "AB6C11",
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"spacegroup": 1
},
{
"id": "jvasp-29841",
"created_at": "2022-09-04T14:38:04.456736Z",
"updated_at": "2022-09-04T14:38:04.456752Z",
"structure_string": "Al2 H6 O6\n1.0\n5.067890 -0.034187 -1.057695\n-2.661492 4.303333 0.680767\n-0.948624 0.126294 5.072438\nAl H O\n2 6 6\ndirect\n0.284753 0.625995 0.002365 Al\n0.607413 0.306731 0.000360 Al\n0.516045 -0.004705 0.608929 H\n0.157339 0.345581 0.588082 H\n0.909922 0.831662 0.772611 H\n0.184460 0.893410 0.240433 H\n0.730732 0.579079 0.425666 H\n0.955641 0.097427 0.221883 H\n0.503808 -0.012985 0.796586 O\n0.230955 0.335089 0.797392 O\n0.876674 0.620517 0.785048 O\n0.392084 0.942773 0.230827 O\n0.672879 0.604991 0.216713 O\n0.013811 0.314639 0.226787 O\n",
"nsites": 14,
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],
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"density_atomic": 0.13234208403003914,
"volume": 105.78645562829634,
"volume_molar": 4.5504351878221065,
"formula_full": "Al2 H6 O6",
"formula_reduced": "Al(HO)3",
"formula_anonymous": "AB3C3",
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"spacegroup": 1
},
{
"id": "jvasp-29385",
"created_at": "2022-09-04T14:38:04.622082Z",
"updated_at": "2022-09-04T14:38:04.622100Z",
"structure_string": "Al2 H6 O6\n1.0\n4.861035 0.012693 -0.722809\n-2.599921 4.219902 -1.221560\n0.010306 -0.048003 5.163577\nAl H O\n2 6 6\ndirect\n0.848125 0.689211 0.001435 Al\n0.170846 0.331099 -0.000521 Al\n0.519317 0.888992 0.221095 H\n0.294437 0.182284 0.424838 H\n0.079787 0.551426 0.608314 H\n0.748382 0.321862 0.239604 H\n0.473226 0.108488 0.771663 H\n0.720492 0.841959 0.587026 H\n0.439721 0.286272 0.784117 O\n0.955942 0.480126 0.229972 O\n0.066655 0.546727 0.795530 O\n0.236657 0.098564 0.215842 O\n0.577578 0.729948 0.225877 O\n0.793932 0.926040 0.796409 O\n",
"nsites": 14,
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"elements": [
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],
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"density_atomic": 0.13239102370309577,
"volume": 105.74735060132805,
"volume_molar": 4.548753073701916,
"formula_full": "Al2 H6 O6",
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"spacegroup": 1
},
{
"id": "jvasp-51709",
"created_at": "2022-09-04T14:38:04.662946Z",
"updated_at": "2022-09-04T14:38:04.662962Z",
"structure_string": "Na8 H12 Ru2\n1.0\n4.527819 2.614137 3.758700\n-4.527819 2.614137 3.758700\n-0.000000 -5.228275 3.758700\nNa H Ru\n8 12 2\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.749999 Na\n0.625847 0.874154 0.249999 Na\n0.874154 0.250000 0.625846 Na\n0.250000 0.625847 0.874153 Na\n0.125847 0.750000 0.374153 Na\n0.750000 0.374154 0.125846 Na\n0.374154 0.125847 0.749999 Na\n0.261769 0.947895 0.058737 H\n0.058738 0.261770 0.947894 H\n0.947895 0.058738 0.261769 H\n0.558738 0.447895 0.761768 H\n0.761770 0.558738 0.447894 H\n0.447895 0.761770 0.558737 H\n0.441263 0.552105 0.238230 H\n0.941263 0.738231 0.052104 H\n0.052105 0.941263 0.738230 H\n0.500000 0.500000 0.499999 H\n0.238231 0.441263 0.552104 H\n0.552105 0.238231 0.441262 H\n0.738231 0.052105 0.941261 Ru\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 22,
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"elements": [
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"H",
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],
"chemical_system": "H-Na-Ru",
"density": 2.4768128499307553,
"density_atomic": 0.0824169065239594,
"volume": 266.93552242954405,
"volume_molar": 7.3069240450675075,
"formula_full": "Na8 H12 Ru2",
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"spacegroup": 1
},
{
"id": "jvasp-45792",
"created_at": "2022-09-04T14:38:04.764485Z",
"updated_at": "2022-09-04T14:38:04.764503Z",
"structure_string": "Nb4 V1 O12\n1.0\n5.116042 -0.012598 0.010876\n0.022246 5.609867 0.023003\n0.042136 0.742376 7.695748\nNb V O\n4 1 12\ndirect\n0.972391 0.993630 0.018835 Nb\n0.511679 0.531480 0.489877 Nb\n0.008101 0.999943 0.498456 Nb\n0.481695 0.507943 0.022054 Nb\n0.016306 0.395678 0.721330 V\n0.297838 0.228062 0.069343 O\n0.202981 0.337910 0.481169 O\n0.811061 0.363640 0.923197 O\n0.325563 0.529623 0.758523 O\n0.622467 0.525527 0.258575 O\n0.839374 0.698609 0.597256 O\n0.102467 0.067372 0.768193 O\n0.675256 0.842156 0.953169 O\n0.877684 0.032850 0.271065 O\n0.735646 0.255451 0.581312 O\n0.183537 0.720839 0.066061 O\n0.335966 0.850697 0.462291 O\n",
"nsites": 17,
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"elements": [
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],
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"density": 4.62219285152785,
"density_atomic": 0.0769987585071148,
"volume": 220.7827805227428,
"volume_molar": 7.821088127600843,
"formula_full": "Nb4 V1 O12",
"formula_reduced": "Nb4VO12",
"formula_anonymous": "AB4C12",
"energy_above_hull": 3.917779047058824,
"spacegroup": 1
},
{
"id": "jvasp-46694",
"created_at": "2022-09-04T14:38:04.972479Z",
"updated_at": "2022-09-04T14:38:04.972502Z",
"structure_string": "Li3 Mn5 O1 F11\n1.0\n-5.267934 0.055099 0.694491\n2.461731 4.751179 -1.611481\n1.297883 -0.371687 -9.287818\nLi Mn O F\n3 5 1 11\ndirect\n0.294718 0.152900 0.425820 Li\n0.716694 0.874082 0.556013 Li\n0.217824 0.367025 0.078317 Li\n0.752594 0.641850 0.931110 Mn\n0.460334 0.071589 0.822445 Mn\n0.976733 0.617133 0.329978 Mn\n0.037726 0.394137 0.678623 Mn\n0.543393 0.887395 0.168768 Mn\n0.519578 0.773963 0.980337 O\n0.438802 0.873652 0.372862 F\n0.052439 0.598947 0.129024 F\n0.041807 0.277722 0.477394 F\n0.439187 0.216727 0.021482 F\n0.531910 0.467381 0.288145 F\n0.922774 0.380028 0.878366 F\n0.578995 0.132831 0.614945 F\n0.018540 0.976203 0.773118 F\n0.481469 0.527752 0.714299 F\n0.980477 0.734713 0.531180 F\n0.994006 0.033969 0.227775 F\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "F-Li-Mn-O",
"density": 3.7279207927134297,
"density_atomic": 0.08626427215268055,
"volume": 231.8456934824845,
"volume_molar": 6.981037003756683,
"formula_full": "Li3 Mn5 O1 F11",
"formula_reduced": "Li3Mn5OF11",
"formula_anonymous": "AB3C5D11",
"energy_above_hull": 1.395933140719827,
"spacegroup": 1
},
{
"id": "jvasp-49942",
"created_at": "2022-09-04T14:38:05.016566Z",
"updated_at": "2022-09-04T14:38:05.016601Z",
"structure_string": "Hf8 N8 O4\n1.0\n5.424987 -0.002009 0.000241\n2.680381 4.769544 -0.004217\n2.629906 1.433983 9.725389\nHf N O\n8 8 4\ndirect\n0.695548 0.686789 0.962619 Hf\n0.829375 0.816726 0.535829 Hf\n0.413576 0.441537 0.713921 Hf\n0.919638 0.953099 0.213474 Hf\n0.088706 0.067682 0.786387 Hf\n0.564576 0.579999 0.285019 Hf\n0.198052 0.168562 0.465083 Hf\n0.321636 0.309866 0.035881 Hf\n0.921934 0.326788 0.120236 N\n0.575459 0.173918 0.369090 N\n0.622097 0.918782 0.125339 N\n0.167771 0.868857 0.376473 N\n0.417133 0.829633 0.621423 N\n0.386668 0.074156 0.874213 N\n0.087091 0.676028 0.874392 N\n0.112289 0.425671 0.628040 N\n0.867973 0.561303 0.381515 O\n0.682257 0.374773 0.875310 O\n0.811204 0.126721 0.626842 O\n0.317032 0.619098 0.128912 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
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"N",
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],
"chemical_system": "Hf-N-O",
"density": 10.5808297043952,
"density_atomic": 0.07945185781325388,
"volume": 251.72476201888978,
"volume_molar": 7.5796097482762805,
"formula_full": "Hf8 N8 O4",
"formula_reduced": "Hf2N2O",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.5656312,
"spacegroup": 1
},
{
"id": "jvasp-46747",
"created_at": "2022-09-04T14:38:05.047381Z",
"updated_at": "2022-09-04T14:38:05.047409Z",
"structure_string": "Li2 Mn1 Si3 O8\n1.0\n5.007784 0.002340 -0.079936\n1.625821 6.039180 0.043592\n1.854686 1.023054 5.769899\nLi Mn Si O\n2 1 3 8\ndirect\n0.743847 0.857271 0.350192 Li\n0.229258 0.124308 0.675425 Li\n0.373957 0.622466 0.717245 Mn\n0.708661 0.826200 0.885280 Si\n0.659781 0.396403 0.244873 Si\n0.265421 0.186793 0.116889 Si\n0.026473 0.864804 0.842212 O\n0.927650 0.167488 0.240710 O\n0.580660 0.899184 0.658549 O\n0.660290 0.544308 0.422526 O\n0.283868 0.319339 0.856911 O\n0.684842 0.552769 0.981058 O\n0.490471 0.941687 0.111761 O\n0.364823 0.295573 0.297760 O\n",
"nsites": 14,
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"elements": [
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"Si",
"O"
],
"chemical_system": "Li-Mn-O-Si",
"density": 2.6667909309390283,
"density_atomic": 0.07999276667535066,
"volume": 175.01582432845174,
"volume_molar": 7.5283566380954925,
"formula_full": "Li2 Mn1 Si3 O8",
"formula_reduced": "Li2MnSi3O8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.8478279315270933,
"spacegroup": 1
}
]
}