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{
"id": "jvasp-59000",
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"structure_string": "Na6 Sc2 Br12\n1.0\n3.614188 -6.259956 0.000000\n3.614188 6.259956 0.000000\n-0.000000 0.000000 13.023071\nNa Sc Br\n6 2 12\ndirect\n0.666667 0.333333 0.536278 Na\n0.666667 0.333333 0.963722 Na\n0.333333 0.666667 0.463722 Na\n0.333333 0.666667 0.036278 Na\n0.000000 0.000000 0.250000 Na\n0.000000 0.000000 0.750000 Na\n0.666667 0.333333 0.250000 Sc\n0.333333 0.666667 0.750000 Sc\n0.638041 0.956633 0.870786 Br\n0.043367 0.361959 0.629214 Br\n0.638041 0.681409 0.629214 Br\n0.318592 0.956633 0.629214 Br\n0.681409 0.638041 0.129214 Br\n0.956633 0.638041 0.370786 Br\n0.681409 0.043367 0.370786 Br\n0.361959 0.318592 0.370786 Br\n0.043367 0.681409 0.870786 Br\n0.361959 0.043367 0.129214 Br\n0.956633 0.318592 0.129214 Br\n0.318592 0.361959 0.870786 Br\n",
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{
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"updated_at": "2022-09-04T14:38:35.907611Z",
"structure_string": "Sn14 Ir6\n1.0\n7.793835 -0.000000 -2.755537\n-3.896917 6.749659 -2.755537\n0.000000 0.000000 8.266610\nSn Ir\n14 6\ndirect\n0.670649 0.670650 0.670649 Sn\n0.329350 0.000000 -0.000000 Sn\n0.329350 0.329350 0.329350 Sn\n0.250000 0.500000 0.750000 Sn\n0.749999 0.500000 0.249999 Sn\n0.499999 0.750000 0.249999 Sn\n0.749999 0.250000 0.499999 Sn\n0.500000 0.250000 0.750000 Sn\n-0.000000 0.329350 -0.000000 Sn\n0.000000 0.000000 0.329350 Sn\n-0.000000 0.670650 -0.000000 Sn\n0.000000 0.000000 0.670650 Sn\n0.670649 0.000000 -0.000000 Sn\n0.250000 0.750000 0.499999 Sn\n0.340809 0.000000 0.340809 Ir\n-0.000000 0.659191 0.659191 Ir\n0.340809 0.340809 -0.000000 Ir\n0.659190 0.659191 -0.000001 Ir\n0.659191 0.000000 0.659191 Ir\n-0.000000 0.340809 0.340809 Ir\n",
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{
"id": "jvasp-112901",
"created_at": "2022-09-04T14:38:45.363470Z",
"updated_at": "2022-09-04T14:38:45.363500Z",
"structure_string": "Rb4 Ge4 Cl12\n1.0\n7.166605 -0.000000 0.000000\n0.000000 7.766774 0.000000\n-0.000000 -0.000000 10.670260\nRb Ge Cl\n4 4 12\ndirect\n0.971087 0.422123 0.750917 Rb\n0.471087 0.077877 0.250917 Rb\n0.528914 0.922123 0.750917 Rb\n0.028914 0.577876 0.250917 Rb\n0.486984 0.476025 0.515699 Ge\n0.513017 0.523974 0.015699 Ge\n0.013016 0.976025 0.515699 Ge\n0.986984 0.023974 0.015699 Ge\n0.574446 0.499256 0.239752 Cl\n0.925555 -0.000744 0.239752 Cl\n0.700971 0.181239 0.968036 Cl\n0.425555 0.500743 0.739752 Cl\n0.799030 0.681238 0.968036 Cl\n0.172109 0.287781 0.040794 Cl\n0.299029 0.818761 0.468036 Cl\n0.827892 0.712218 0.540794 Cl\n0.074445 0.000744 0.739752 Cl\n0.327892 0.787781 0.040794 Cl\n0.200971 0.318761 0.468036 Cl\n0.672109 0.212219 0.540794 Cl\n",
"nsites": 20,
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{
"id": "jvasp-55733",
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"updated_at": "2022-09-04T14:38:35.600894Z",
"structure_string": "K4 Na2 Al2 H12\n1.0\n5.701339 -0.000000 0.000000\n0.000000 5.701118 0.000000\n0.000000 0.000000 8.061765\nK Na Al H\n4 2 2 12\ndirect\n0.500000 0.000000 0.250003 K\n0.000000 0.500000 0.249996 K\n0.500000 0.000000 0.749996 K\n0.000000 0.500000 0.750003 K\n0.000000 0.000000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.500000 0.500000 0.720372 H\n0.000000 0.000000 0.779627 H\n0.279572 0.720280 0.500000 H\n0.220429 0.220280 0.000000 H\n0.720429 0.279721 0.500000 H\n0.779741 0.220449 0.000000 H\n0.220259 0.779551 0.000000 H\n0.279741 0.279551 0.500000 H\n0.000000 0.000000 0.220373 H\n0.720259 0.720449 0.500000 H\n0.779572 0.779721 0.000000 H\n0.500000 0.500000 0.279627 H\n",
"nsites": 20,
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{
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"created_at": "2022-09-04T14:38:35.997675Z",
"updated_at": "2022-09-04T14:38:35.997700Z",
"structure_string": "Tl2 H8 N2 Cl8\n1.0\n6.462371 0.000000 -2.637082\n-1.076106 6.372145 -2.637081\n0.013103 0.015501 9.268920\nTl H N Cl\n2 8 2 8\ndirect\n0.000000 0.000000 0.000000 Tl\n0.249999 0.749999 0.500000 Tl\n0.698988 0.371813 0.575328 H\n0.453515 0.448989 0.075328 H\n0.621813 0.626339 0.075328 H\n0.373660 0.546484 0.924672 H\n0.551010 0.378186 0.924672 H\n0.796484 0.301011 0.424672 H\n0.628186 0.123661 0.424672 H\n0.876339 0.203515 0.575328 H\n0.500000 0.500000 -0.000000 N\n0.749999 0.250000 0.500000 N\n0.501407 0.596866 0.681610 Cl\n0.748592 0.153133 0.818389 Cl\n0.069796 0.665256 0.818389 Cl\n0.915256 0.498592 0.318389 Cl\n0.846866 0.930202 0.181610 Cl\n0.334743 0.251407 0.181611 Cl\n0.180203 0.084743 0.681611 Cl\n0.403133 0.819796 0.318389 Cl\n",
"nsites": 20,
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{
"id": "jvasp-112937",
"created_at": "2022-09-04T14:38:45.412728Z",
"updated_at": "2022-09-04T14:38:45.412744Z",
"structure_string": "Ba4 Ga8 As8\n1.0\n10.069004 0.000000 0.000000\n-0.000000 6.830863 3.239340\n0.000000 0.036258 7.721458\nBa Ga As\n4 8 8\ndirect\n0.603880 0.585141 0.718713 Ba\n0.103880 0.414859 0.781287 Ba\n0.396120 0.414859 0.281287 Ba\n0.896120 0.585141 0.218713 Ba\n0.211094 0.946296 0.132866 Ga\n0.711094 0.053704 0.367135 Ga\n0.288906 0.946296 0.632866 Ga\n0.788906 0.053704 0.867135 Ga\n0.014702 0.063945 0.258396 Ga\n0.485298 0.063945 0.758396 Ga\n0.985297 0.936055 0.741604 Ga\n0.514702 0.936054 0.241604 Ga\n0.108237 0.215639 0.470232 As\n0.679561 0.266664 0.544942 As\n0.179561 0.733336 0.955059 As\n0.320438 0.733336 0.455058 As\n0.820438 0.266664 0.044942 As\n0.891762 0.784361 0.529768 As\n0.391763 0.215639 0.970232 As\n0.608237 0.784361 0.029768 As\n",
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"volume": 529.8991553064479,
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{
"id": "jvasp-19369",
"created_at": "2022-09-04T14:38:36.072991Z",
"updated_at": "2022-09-04T14:38:36.073017Z",
"structure_string": "Ca4 Cu2 Sb2 O12\n1.0\n0.000000 5.742770 0.117843\n7.490929 0.000000 0.000000\n0.000000 -1.422032 -5.838508\nCa Cu Sb O\n4 2 2 12\ndirect\n0.465347 0.750000 0.418653 Ca\n0.534653 0.250000 0.581348 Ca\n0.936689 0.750000 0.954907 Ca\n0.063312 0.250000 0.045094 Ca\n0.500000 0.500000 0.000000 Cu\n0.500000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Sb\n0.000000 0.000000 0.500000 Sb\n0.349779 0.538978 0.686477 O\n0.570415 0.750000 0.059804 O\n0.650221 0.038978 0.313524 O\n0.097430 0.250000 0.442497 O\n0.127003 0.945748 0.233547 O\n0.872997 0.054252 0.766454 O\n0.127003 0.554252 0.233547 O\n0.349779 0.961022 0.686477 O\n0.902571 0.750000 0.557504 O\n0.650221 0.461022 0.313524 O\n0.872997 0.445748 0.766454 O\n0.429586 0.250000 0.940197 O\n",
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"formula_full": "Ca4 Cu2 Sb2 O12",
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{
"id": "jvasp-113078",
"created_at": "2022-09-04T14:38:46.971963Z",
"updated_at": "2022-09-04T14:38:46.971989Z",
"structure_string": "Na3 Ho1 Ti2 Nb2 O12\n1.0\n5.405417 -0.006459 0.004409\n0.066785 5.555255 0.006430\n0.000833 -0.006279 7.733652\nNa Ho Ti Nb O\n3 1 2 2 12\ndirect\n0.496218 0.533167 0.748638 Na\n-0.003551 0.010779 0.751684 Na\n0.511741 0.458151 0.250355 Na\n0.989958 0.933311 0.250412 Ho\n0.490212 0.984883 0.006489 Ti\n0.006724 0.478631 0.495966 Ti\n0.493952 0.994211 0.509795 Nb\n0.005710 0.478641 0.989966 Nb\n0.717635 0.727049 0.444405 O\n0.805403 0.202254 0.053113 O\n0.713661 0.729204 0.054985 O\n0.808593 0.207056 0.447179 O\n0.299060 0.309436 0.539714 O\n0.919034 0.492818 0.745797 O\n0.081195 0.529489 0.252222 O\n0.398882 0.035346 0.247050 O\n0.193808 0.807833 0.523689 O\n0.568122 0.977352 0.753984 O\n0.198532 0.808589 0.977436 O\n0.305119 0.301785 0.957119 O\n",
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{
"id": "jvasp-112502",
"created_at": "2022-09-04T14:38:41.332827Z",
"updated_at": "2022-09-04T14:38:41.332860Z",
"structure_string": "Li6 Co4 O10\n1.0\n2.830922 0.000000 -0.000000\n-1.415461 2.445676 -0.171050\n-0.000000 0.036530 23.948469\nLi Co O\n6 4 10\ndirect\n0.099006 0.198013 0.297018 Li\n0.501543 0.003087 0.504630 Li\n0.900001 0.800001 0.700000 Li\n0.298457 0.596914 0.895370 Li\n0.700994 0.401988 0.102982 Li\n0.400001 0.800001 0.200000 Li\n0.200943 0.401886 0.602829 Co\n0.599057 0.198115 0.797171 Co\n0.997375 0.994749 0.992121 Co\n0.802627 0.605253 0.407879 Co\n0.251434 0.502869 0.754302 O\n0.150575 0.301150 0.451725 O\n0.548566 0.097132 0.645698 O\n0.946572 0.893145 0.839715 O\n0.344073 0.688145 0.032216 O\n0.751647 0.503295 0.254942 O\n0.048353 0.096706 0.145059 O\n0.455929 0.911857 0.367784 O\n0.853429 0.706858 0.560285 O\n0.649425 0.298851 0.948275 O\n",
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{
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"created_at": "2022-09-04T14:38:41.347679Z",
"updated_at": "2022-09-04T14:38:41.347724Z",
"structure_string": "Mn4 Te4 O12\n1.0\n5.482207 -0.000003 -0.000003\n-0.000018 6.123266 -0.000017\n-0.000063 -0.000016 7.768129\nMn Te O\n4 4 12\ndirect\n0.000005 0.500003 0.500000 Mn\n0.499986 0.000004 0.000002 Mn\n0.000010 0.500014 0.000001 Mn\n0.499995 -0.000006 0.500001 Mn\n0.013282 0.987164 0.750002 Te\n0.486720 0.487152 0.750002 Te\n0.513295 0.512836 0.250002 Te\n0.986709 0.012845 0.250002 Te\n0.636953 0.319371 0.430785 O\n0.636953 0.319380 0.069212 O\n0.363054 0.680616 0.930786 O\n0.363060 0.680609 0.569212 O\n0.136942 0.180628 0.930785 O\n0.330035 0.940987 0.250000 O\n0.830051 0.559016 0.750000 O\n0.669956 0.059014 0.750002 O\n0.863052 0.819392 0.069213 O\n0.169969 0.440981 0.250001 O\n0.136939 0.180619 0.569210 O\n0.863043 0.819383 0.430782 O\n",
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"formula_full": "Mn4 Te4 O12",
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{
"id": "jvasp-116938",
"created_at": "2022-09-04T14:38:47.569417Z",
"updated_at": "2022-09-04T14:38:47.569440Z",
"structure_string": "Tb4 Sc4 S12\n1.0\n6.371537 -0.000000 0.000000\n0.000000 7.038723 0.000000\n-0.000000 -0.000000 9.489407\nTb Sc S\n4 4 12\ndirect\n0.540756 0.397520 0.750000 Tb\n0.459244 0.602479 0.250000 Tb\n0.040756 0.102479 0.250000 Tb\n0.959244 0.897520 0.750000 Tb\n-0.000000 0.500000 -0.000000 Sc\n-0.000000 0.500000 0.500000 Sc\n0.500000 0.000000 0.500000 Sc\n0.500000 0.000000 -0.000000 Sc\n0.143160 0.545268 0.750000 S\n0.856840 0.454731 0.250000 S\n0.673658 0.683824 0.930875 S\n0.326343 0.316175 0.430875 S\n0.173658 0.816175 0.430875 S\n0.173658 0.816175 0.069125 S\n0.673658 0.683824 0.569126 S\n0.326343 0.316175 0.069125 S\n0.356840 0.045268 0.750000 S\n0.826343 0.183825 0.569126 S\n0.826343 0.183825 0.930875 S\n0.643161 0.954731 0.250000 S\n",
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"volume": 425.57602886058385,
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{
"id": "jvasp-49228",
"created_at": "2022-09-04T14:38:36.195165Z",
"updated_at": "2022-09-04T14:38:36.195191Z",
"structure_string": "Tb8 Se12\n1.0\n4.031983 -0.000000 0.000000\n0.000000 10.972406 0.000000\n0.000000 0.000000 11.169463\nTb Se\n8 12\ndirect\n0.250000 0.187370 0.486804 Tb\n0.749999 0.812630 0.513196 Tb\n0.749999 0.687370 0.013196 Tb\n0.250000 0.312630 0.986803 Tb\n0.250000 0.998605 0.806006 Tb\n0.749999 0.001395 0.193994 Tb\n0.749999 0.498605 0.693994 Tb\n0.250000 0.501396 0.306006 Tb\n0.749999 0.443762 0.118994 Se\n0.250000 0.556238 0.881006 Se\n0.250000 0.874595 0.044888 Se\n0.749999 0.125405 0.955111 Se\n0.749999 0.374595 0.455112 Se\n0.749999 0.696825 0.273447 Se\n0.250000 0.196825 0.226553 Se\n0.749999 0.803175 0.773447 Se\n0.749999 0.056238 0.618993 Se\n0.250000 0.303175 0.726553 Se\n0.250000 0.625405 0.544888 Se\n0.250000 0.943762 0.381006 Se\n",
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}
]
}