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{
"id": "jvasp-44551",
"created_at": "2022-09-04T14:38:18.917312Z",
"updated_at": "2022-09-04T14:38:18.917338Z",
"structure_string": "Rb12 Lu4 O12\n1.0\n0.000000 7.715188 -0.038230\n7.247355 0.000000 0.000000\n0.000000 -0.821231 -11.567006\nRb Lu O\n12 4 12\ndirect\n0.359093 0.335172 0.923294 Rb\n0.937249 0.622173 0.842004 Rb\n0.377200 0.806614 0.810434 Rb\n0.622801 0.306614 0.689567 Rb\n0.062751 0.122173 0.657996 Rb\n0.640908 0.835172 0.576706 Rb\n0.359093 0.164829 0.423294 Rb\n0.937249 0.877828 0.342004 Rb\n0.377200 0.693387 0.310434 Rb\n0.622801 0.193386 0.189567 Rb\n0.062751 0.377828 0.157996 Rb\n0.640907 0.664829 0.076706 Rb\n0.157915 0.910453 0.069328 Lu\n0.842085 0.410452 0.430672 Lu\n0.157915 0.589548 0.569328 Lu\n0.842085 0.089548 0.930673 Lu\n0.747228 0.353402 0.951970 O\n0.113454 0.049941 0.907946 O\n0.700987 0.946728 0.804212 O\n0.299014 0.446728 0.695788 O\n0.886546 0.549941 0.592054 O\n0.252772 0.853402 0.548031 O\n0.747228 0.146598 0.451969 O\n0.113454 0.450059 0.407946 O\n0.700987 0.553273 0.304212 O\n0.299014 0.053272 0.195788 O\n0.886546 0.950060 0.092054 O\n0.252772 0.646599 0.048031 O\n",
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],
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"formula_full": "Rb12 Lu4 O12",
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{
"id": "jvasp-93294",
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"structure_string": "Li5 Mg1\n1.0\n-4.557744 2.631413 0.000000\n0.000007 -5.262817 0.000180\n-1.519349 2.631238 4.982988\nLi Mg\n5 1\ndirect\n-0.000266 -0.000000 0.000000 Li\n0.666933 0.333601 0.000002 Li\n0.333334 0.666399 -0.000002 Li\n0.499712 0.833617 0.500853 Li\n0.166948 0.166384 0.499148 Li\n0.833332 0.500000 0.500000 Mg\n",
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"elements": [
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"formula_full": "Li5 Mg1",
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"spacegroup": 155
},
{
"id": "jvasp-37071",
"created_at": "2022-09-04T14:38:04.708081Z",
"updated_at": "2022-09-04T14:38:04.708113Z",
"structure_string": "Na1 Tb1 S2\n1.0\n-1.993513 -3.452865 0.000000\n-3.987027 -0.000000 -0.000000\n-1.993513 -1.150955 -6.604467\nTb Na S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500001 0.499999 0.500000 Na\n0.743569 0.743565 0.769299 S\n0.256434 0.256433 0.230701 S\n",
"nsites": 4,
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],
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"density_atomic": 0.04399399908718711,
"volume": 90.92149118048619,
"volume_molar": 13.688550449949659,
"formula_full": "Na1 Tb1 S2",
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"formula_anonymous": "ABC2",
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"spacegroup": 166
},
{
"id": "jvasp-41681",
"created_at": "2022-09-04T14:37:37.136312Z",
"updated_at": "2022-09-04T14:37:37.136327Z",
"structure_string": "Li5 Mg1\n1.0\n2.630908 -4.556866 0.000000\n2.630908 4.556866 -0.000000\n0.000000 -0.000000 4.988949\nLi Mg\n5 1\ndirect\n0.333875 0.333875 0.000000 Li\n0.666668 0.333333 0.500000 Li\n0.666125 -0.000000 0.000000 Li\n0.333333 0.666668 0.500000 Li\n-0.000000 0.666125 0.000000 Li\n0.000000 0.000000 0.500000 Mg\n",
"nsites": 6,
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"elements": [
"Li",
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],
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"volume": 119.62197800165292,
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"formula_full": "Li5 Mg1",
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"spacegroup": 189
},
{
"id": "jvasp-90687",
"created_at": "2022-09-04T14:36:00.879089Z",
"updated_at": "2022-09-04T14:36:00.879115Z",
"structure_string": "Li2 Sm2 Sn4\n1.0\n-4.465882 0.000000 -0.000000\n0.000000 0.000000 -4.499152\n2.232942 -9.486839 0.000000\nLi Sm Sn\n2 2 4\ndirect\n0.675359 0.750000 0.350719 Li\n0.324641 0.250000 0.649281 Li\n0.893097 0.750000 0.786193 Sm\n0.106903 0.250000 0.213807 Sm\n0.545170 0.750000 0.090340 Sn\n0.454830 0.250000 0.909660 Sn\n0.250594 0.750000 0.501188 Sn\n0.749406 0.250000 0.498812 Sn\n",
"nsites": 8,
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"elements": [
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"density": 6.8771719927924755,
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"volume": 190.61603856770006,
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"formula_full": "Li2 Sm2 Sn4",
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},
{
"id": "jvasp-2574",
"created_at": "2022-09-04T14:36:43.864132Z",
"updated_at": "2022-09-04T14:36:43.864167Z",
"structure_string": "Rb2 Cu2 O4\n1.0\n4.408917 0.000000 -1.753296\n0.000000 5.502343 0.000000\n0.008478 0.000000 6.441396\nRb Cu O\n2 2 4\ndirect\n0.306413 0.750000 0.612825 Rb\n0.693588 0.250000 0.387175 Rb\n0.997537 0.250000 0.995073 Cu\n0.002464 0.750000 0.004927 Cu\n0.897340 0.504395 0.794680 O\n0.102661 0.495604 0.205320 O\n0.897340 0.995604 0.794680 O\n0.102661 0.004396 0.205320 O\n",
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"volume": 156.3460212880099,
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"formula_full": "Rb2 Cu2 O4",
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"spacegroup": 63
},
{
"id": "jvasp-117169",
"created_at": "2022-09-04T14:38:51.207446Z",
"updated_at": "2022-09-04T14:38:51.207491Z",
"structure_string": "V4 Ag4 O4 F16\n1.0\n4.891765 -0.000000 0.000000\n0.000000 5.378297 0.927374\n-0.000000 -0.022475 13.754767\nV Ag O F\n4 4 4 16\ndirect\n0.014557 0.163409 0.139881 V\n0.514557 0.836592 0.360119 V\n-0.014557 0.836593 0.860119 V\n0.485444 0.163409 0.639881 V\n0.540882 0.669805 0.091109 Ag\n0.040882 0.330197 0.408890 Ag\n0.459119 0.330197 0.908890 Ag\n-0.040882 0.669805 0.591109 Ag\n0.298673 0.345838 0.560459 O\n0.798673 0.654164 0.939541 O\n0.701328 0.654163 0.439541 O\n0.201328 0.345838 0.060459 O\n0.732547 0.880197 0.250012 F\n0.232546 0.119804 0.249988 F\n0.793203 0.120883 0.567593 F\n0.293203 0.879119 0.932407 F\n0.206798 0.879119 0.432407 F\n0.706798 0.120882 0.067593 F\n0.681164 0.387781 0.696450 F\n0.617967 0.143823 0.380966 F\n0.318837 0.612221 0.303550 F\n0.818837 0.387780 0.196450 F\n0.382034 0.856178 0.619034 F\n0.882034 0.143824 0.880966 F\n0.767455 0.880197 0.750012 F\n0.117967 0.856178 0.119034 F\n0.181164 0.612221 0.803550 F\n0.267454 0.119805 0.749988 F\n",
"nsites": 28,
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"elements": [
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"F"
],
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"density_atomic": 0.07735209553776184,
"volume": 361.9811435661872,
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"formula_full": "V4 Ag4 O4 F16",
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"formula_anonymous": "ABCD4",
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"spacegroup": 14
},
{
"id": "jvasp-90207",
"created_at": "2022-09-04T14:35:45.738818Z",
"updated_at": "2022-09-04T14:35:45.738834Z",
"structure_string": "Dy3 Al3 Cu3\n1.0\n0.000000 0.000000 -4.005300\n-3.517833 -6.093064 0.000000\n-3.518033 6.093181 0.000000\nDy Al Cu\n3 3 3\ndirect\n0.500000 0.584986 -0.000000 Dy\n0.500000 0.414999 0.415012 Dy\n0.500000 0.999986 0.584987 Dy\n0.000000 0.236244 -0.000000 Al\n0.000000 0.763737 0.763747 Al\n0.000000 0.999990 0.236253 Al\n0.000000 0.333316 0.666666 Cu\n0.000000 0.666650 0.333333 Cu\n0.500000 -0.000013 0.000000 Cu\n",
"nsites": 9,
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"Al",
"Cu"
],
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"density": 7.340837717526776,
"density_atomic": 0.05241432409824725,
"volume": 171.7087867646654,
"volume_molar": 11.489494262507113,
"formula_full": "Dy3 Al3 Cu3",
"formula_reduced": "DyAlCu",
"formula_anonymous": "ABC",
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"spacegroup": 189
},
{
"id": "jvasp-40434",
"created_at": "2022-09-04T14:37:56.093723Z",
"updated_at": "2022-09-04T14:37:56.093737Z",
"structure_string": "Li3 Ge1\n1.0\n-0.000000 3.092732 3.092732\n3.092732 0.000000 3.092732\n3.092732 3.092732 -0.000000\nLi Ge\n3 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.500001 0.500001 0.500001 Li\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Ge\n",
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"density": 2.623203330070763,
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"volume": 59.16390887527928,
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"spacegroup": 225
},
{
"id": "jvasp-53498",
"created_at": "2022-09-04T14:38:12.276648Z",
"updated_at": "2022-09-04T14:38:12.276671Z",
"structure_string": "Dy1 Cu1 Se2\n1.0\n2.044657 -3.541449 0.000000\n2.044657 3.541449 -0.000000\n0.000000 0.000000 6.420586\nDy Cu Se\n1 1 2\ndirect\n0.000000 0.000000 0.511099 Dy\n0.666668 0.333334 0.127053 Cu\n0.333334 0.666668 0.240753 Se\n0.666668 0.333334 0.747195 Se\n",
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"volume": 92.98354909465804,
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},
{
"id": "jvasp-11077",
"created_at": "2022-09-04T14:38:32.945843Z",
"updated_at": "2022-09-04T14:38:32.945862Z",
"structure_string": "Tb4 Cu4 Se8\n1.0\n0.000000 6.612928 0.011383\n7.331068 0.000000 0.000000\n0.000000 -0.762748 -7.049703\nTb Cu Se\n4 4 8\ndirect\n0.804168 0.542417 0.700555 Tb\n0.195832 0.042417 0.799444 Tb\n0.195833 0.457583 0.299445 Tb\n0.804168 0.957583 0.200556 Tb\n0.574517 0.341538 0.044701 Cu\n0.425483 0.658462 0.955299 Cu\n0.574516 0.158462 0.544701 Cu\n0.425484 0.841539 0.455299 Cu\n0.070790 0.775203 0.498285 Se\n0.070790 0.724798 0.998285 Se\n0.929210 0.275202 0.001715 Se\n0.929210 0.224798 0.501715 Se\n0.399009 0.388651 0.715482 Se\n0.600990 0.888651 0.784518 Se\n0.600991 0.611349 0.284518 Se\n0.399010 0.111349 0.215482 Se\n",
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{
"id": "jvasp-110170",
"created_at": "2022-09-04T14:38:18.429067Z",
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"structure_string": "Sn1 Te1 Pb1 Se1\n1.0\n4.270351 -0.000274 6.438548\n1.940903 3.803787 6.438548\n-0.000447 -0.000274 7.725982\nSn Te Pb Se\n1 1 1 1\ndirect\n0.495157 0.495159 0.495158 Sn\n0.247010 0.247011 0.247011 Te\n0.006194 0.006194 0.006194 Pb\n0.751635 0.751639 0.751637 Se\n",
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}
]
}