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{
"id": "jvasp-31882",
"created_at": "2022-09-04T14:36:54.215205Z",
"updated_at": "2022-09-04T14:36:54.215233Z",
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{
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"structure_string": "Na6 V2 S6 O2\n1.0\n5.892461 0.000000 0.000000\n0.000000 7.481808 -1.573329\n0.000000 0.008632 7.645439\nNa V S O\n6 2 6 2\ndirect\n0.463779 0.118889 0.881111 Na\n0.483089 0.173753 0.413613 Na\n0.483089 0.586387 0.826247 Na\n0.983089 0.413613 0.173753 Na\n0.963778 0.881111 0.118889 Na\n0.983089 0.826247 0.586387 Na\n0.385235 0.702951 0.297049 V\n0.885235 0.297048 0.702951 V\n0.500752 0.432666 0.186383 S\n0.982894 0.118380 0.881620 S\n0.500752 0.813617 0.567334 S\n0.000752 0.186383 0.432666 S\n0.000752 0.567334 0.813616 S\n0.482894 0.881620 0.118380 S\n0.598970 0.301971 0.698029 O\n0.098970 0.698029 0.301971 O\n",
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{
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"updated_at": "2022-09-04T14:37:59.073588Z",
"structure_string": "Hg12 Sb4 As4 S12\n1.0\n4.436076 0.000000 0.000000\n0.000000 11.767501 -0.378967\n0.000000 0.001477 15.988525\nHg Sb As S\n12 4 4 12\ndirect\n0.265896 0.629885 0.574056 Hg\n0.137519 0.118580 0.818712 Hg\n0.362481 0.618580 0.318712 Hg\n0.217806 0.108990 0.312816 Hg\n0.765896 0.870115 0.925944 Hg\n0.782195 0.891010 0.687184 Hg\n0.637520 0.381420 0.681288 Hg\n0.234105 0.129885 0.074056 Hg\n0.734105 0.370115 0.425944 Hg\n0.862482 0.881420 0.181288 Hg\n0.282194 0.608990 0.812816 Hg\n0.717806 0.391010 0.187184 Hg\n0.693055 0.357502 0.948698 Sb\n0.806946 0.857502 0.448698 Sb\n0.306946 0.642498 0.051302 Sb\n0.193055 0.142499 0.551302 Sb\n0.648355 0.597974 0.691212 As\n0.851647 0.097974 0.191212 As\n0.351646 0.402026 0.308788 As\n0.148354 0.902026 0.808788 As\n0.063899 0.327303 0.832559 S\n0.926366 0.617568 0.930229 S\n0.073635 0.382433 0.069771 S\n0.936102 0.672697 0.167441 S\n0.426366 0.882433 0.569772 S\n0.879818 0.645935 0.463680 S\n0.436102 0.827303 0.332559 S\n0.573635 0.117568 0.430229 S\n0.379817 0.854065 0.036320 S\n0.563899 0.172697 0.667442 S\n0.120183 0.354065 0.536320 S\n0.620184 0.145935 0.963680 S\n",
"nsites": 32,
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{
"id": "jvasp-91584",
"created_at": "2022-09-04T14:36:15.931072Z",
"updated_at": "2022-09-04T14:36:15.931101Z",
"structure_string": "Ga1 Si3 C3 N1\n1.0\n0.000000 -3.114638 0.000000\n-5.115212 0.000000 -0.021115\n0.001534 0.000000 -5.404853\nGa Si C N\n1 3 3 1\ndirect\n0.500000 0.509001 0.837281 Ga\n0.000000 0.008151 0.662689 Si\n0.000000 0.497601 0.334809 Si\n0.500000 0.001371 0.168873 Si\n0.500000 0.903937 0.830467 C\n0.500000 0.370617 0.184721 C\n0.000000 0.871649 0.335422 C\n0.000000 0.365774 0.645734 N\n",
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"formula_full": "Ga1 Si3 C3 N1",
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{
"id": "jvasp-48967",
"created_at": "2022-09-04T14:36:15.637673Z",
"updated_at": "2022-09-04T14:36:15.637696Z",
"structure_string": "Li1 Ni3 O3 F1\n1.0\n2.879201 -0.000000 -0.000000\n-0.000000 2.879201 0.000000\n-0.000000 -0.000000 8.768648\nLi Ni O F\n1 3 3 1\ndirect\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.255222 Ni\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.744778 Ni\n0.500000 0.500000 0.252416 O\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 0.747584 O\n0.000000 0.000000 0.000000 F\n",
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"spacegroup": 123
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{
"id": "jvasp-48427",
"created_at": "2022-09-04T14:36:09.720983Z",
"updated_at": "2022-09-04T14:36:09.721000Z",
"structure_string": "Li6 Co2 O2 F6\n1.0\n2.935231 -0.002138 0.000821\n-1.463996 4.899406 0.015352\n-0.004221 -1.926932 9.753938\nLi Co O F\n6 2 2 6\ndirect\n0.752293 0.505617 0.129535 Li\n0.500682 0.002328 0.250197 Li\n0.500507 0.002261 0.750185 Li\n-0.003832 -0.006442 0.499944 Li\n0.249023 0.499011 0.370855 Li\n0.004876 0.011015 0.000445 Li\n0.742935 0.487029 0.647100 Co\n0.258172 0.517514 0.853287 Co\n0.884819 0.770869 0.817237 O\n0.116230 0.233674 0.683152 O\n0.875777 0.752671 0.310832 F\n0.625883 0.252886 0.433284 F\n0.629650 0.260469 0.949750 F\n0.125427 0.251970 0.189564 F\n0.375292 0.751735 0.067110 F\n0.371506 0.744116 0.550645 F\n",
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{
"id": "jvasp-43184",
"created_at": "2022-09-04T14:36:58.531698Z",
"updated_at": "2022-09-04T14:36:58.531726Z",
"structure_string": "Li6 Fe2 O2 F6\n1.0\n-2.922712 0.011436 -0.007288\n1.427157 4.905855 -0.033081\n-0.039383 -1.850009 -9.911652\nLi Fe O F\n6 2 2 6\ndirect\n0.756327 0.507918 0.131914 Li\n0.498201 0.001483 0.249991 Li\n0.498132 0.001386 0.749966 Li\n0.989026 -0.002302 0.496339 Li\n0.240043 0.495010 0.368078 Li\n0.007330 0.005157 0.003631 Li\n0.718534 0.487463 0.646454 Fe\n0.277815 0.515354 0.853522 Fe\n0.904770 0.776689 0.821003 O\n0.091553 0.226121 0.678971 O\n0.871493 0.749139 0.311387 F\n0.610945 0.244330 0.428161 F\n0.633930 0.268349 0.951498 F\n0.124931 0.253809 0.188610 F\n0.385463 0.758602 0.071829 F\n0.362437 0.734529 0.548495 F\n",
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{
"id": "jvasp-57374",
"created_at": "2022-09-04T14:37:09.176859Z",
"updated_at": "2022-09-04T14:37:09.176879Z",
"structure_string": "K6 V2 S2 O6\n1.0\n0.000000 6.507659 0.004940\n5.892230 0.000000 0.000000\n0.000000 -1.887790 -8.563010\nK V S O\n6 2 2 6\ndirect\n0.681241 0.750000 0.532077 K\n0.255018 0.250000 0.994390 K\n0.318759 0.250000 0.467923 K\n0.744982 0.750000 0.005610 K\n0.790837 0.250000 0.278631 K\n0.209163 0.750000 0.721369 K\n0.301730 0.750000 0.207320 V\n0.698270 0.250000 0.792680 V\n0.056372 0.750000 0.350771 S\n0.943628 0.250000 0.649229 S\n0.816236 0.250000 0.987213 O\n0.183764 0.750000 0.012787 O\n0.456702 0.985805 0.254324 O\n0.543298 0.014195 0.745676 O\n0.456702 0.514195 0.254324 O\n0.543298 0.485805 0.745676 O\n",
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{
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"created_at": "2022-09-04T14:37:14.772978Z",
"updated_at": "2022-09-04T14:37:14.773001Z",
"structure_string": "Na6 Mo2 N2 O6\n1.0\n5.594748 0.000000 0.000000\n0.000000 6.232900 0.000000\n0.000000 0.000000 7.305622\nNa Mo N O\n6 2 2 6\ndirect\n0.514520 0.830530 0.000000 Na\n0.512180 0.329049 0.743889 Na\n0.512180 0.329049 0.256110 Na\n0.012180 0.670951 0.243890 Na\n0.014520 0.169470 0.500000 Na\n0.012180 0.670951 0.756110 Na\n0.502989 0.828184 0.500000 Mo\n0.002988 0.171816 0.000000 Mo\n0.692535 0.174692 0.000000 N\n0.192534 0.825308 0.500000 N\n0.602072 0.687145 0.290926 O\n0.102072 0.312855 0.209074 O\n0.102072 0.312855 0.790926 O\n0.602072 0.687145 0.709074 O\n0.100555 0.889145 0.000000 O\n0.600555 0.110855 0.500000 O\n",
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{
"id": "jvasp-10549",
"created_at": "2022-09-04T14:37:13.832733Z",
"updated_at": "2022-09-04T14:37:13.832766Z",
"structure_string": "Ba6 B2 P2 O6\n1.0\n2.778755 -4.812945 -0.000000\n2.778755 4.812945 0.000000\n0.000000 -0.000000 13.543918\nBa B P O\n6 2 2 6\ndirect\n0.333334 0.666668 0.597325 Ba\n0.000000 0.000000 0.750000 Ba\n0.000000 0.000000 0.250000 Ba\n0.666668 0.333334 0.097325 Ba\n0.666668 0.333334 0.402676 Ba\n0.333334 0.666668 0.902676 Ba\n0.666668 0.333334 0.750000 B\n0.333334 0.666668 0.250000 B\n0.000000 0.000000 0.000000 P\n0.000000 0.000000 0.500000 P\n0.478271 0.521731 0.250000 O\n0.521731 0.043462 0.750000 O\n0.521731 0.478271 0.750000 O\n0.043462 0.521731 0.250000 O\n0.478271 0.956540 0.250000 O\n0.956540 0.478271 0.750000 O\n",
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{
"id": "jvasp-91444",
"created_at": "2022-09-04T14:35:58.581054Z",
"updated_at": "2022-09-04T14:35:58.581084Z",
"structure_string": "Zn4 Ga12 N12 O4\n1.0\n6.458251 -0.000233 -0.001605\n-3.229324 5.593434 0.005504\n-0.002600 0.008822 10.512830\nZn Ga N O\n4 12 12 4\ndirect\n0.837609 0.660923 0.746428 Zn\n0.659985 0.322276 0.996123 Zn\n0.666166 0.832387 0.495103 Zn\n0.322893 0.161752 0.243261 Zn\n0.175034 0.839953 0.001843 Ga\n0.841633 0.165722 0.252014 Ga\n0.330332 0.664168 0.250392 Ga\n0.678315 0.337914 0.502186 Ga\n0.840736 0.675149 0.252157 Ga\n0.162178 0.820922 0.501990 Ga\n0.664305 0.840190 0.000631 Ga\n0.165424 0.331356 0.000334 Ga\n0.332705 0.164690 0.750203 Ga\n0.325292 0.664857 0.750518 Ga\n0.835041 0.173807 0.752214 Ga\n0.161307 0.340154 0.500307 Ga\n0.163350 0.339120 0.185798 N\n0.666270 0.832962 0.187443 N\n0.333292 0.666243 0.936686 N\n0.323111 0.162765 0.936311 N\n0.166998 0.333193 0.686587 N\n0.163058 0.823692 0.185791 N\n0.327444 0.663360 0.436152 N\n0.836708 0.172737 0.436282 N\n0.838562 0.163045 0.936149 N\n0.175520 0.838553 0.685949 N\n0.660162 0.322881 0.686560 N\n0.836947 0.662635 0.436842 N\n0.677885 0.339322 0.195254 O\n0.333578 0.167329 0.445823 O\n0.660618 0.837888 0.697120 O\n0.837541 0.678051 0.945531 O\n",
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"volume": 379.75517456795853,
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"formula_full": "Zn4 Ga12 N12 O4",
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{
"id": "jvasp-63064",
"created_at": "2022-09-04T14:35:47.541495Z",
"updated_at": "2022-09-04T14:35:47.541526Z",
"structure_string": "Sr12 Ta4 As12 O4\n1.0\n6.417250 0.000000 0.000000\n-0.000000 10.732969 0.000000\n0.000000 0.000000 12.978789\nSr Ta As O\n12 4 12 4\ndirect\n0.730917 0.750000 0.628145 Sr\n0.769083 0.250000 0.128145 Sr\n0.269083 0.250000 0.371855 Sr\n0.230917 0.750000 0.871855 Sr\n0.753149 0.956642 0.371690 Sr\n0.746851 0.043358 0.871690 Sr\n0.246851 0.456642 0.628310 Sr\n0.253149 0.543358 0.128310 Sr\n0.246851 0.043358 0.628310 Sr\n0.253149 0.956642 0.128310 Sr\n0.753149 0.543358 0.371690 Sr\n0.746851 0.456642 0.871690 Sr\n0.841154 0.250000 0.549137 Ta\n0.658846 0.750000 0.049137 Ta\n0.158846 0.750000 0.450863 Ta\n0.341154 0.250000 0.950863 Ta\n0.236942 0.452586 0.876115 As\n0.263058 0.547414 0.376115 As\n0.763058 0.952586 0.123885 As\n0.736942 0.047414 0.623885 As\n0.763058 0.547414 0.123885 As\n0.736942 0.452586 0.623885 As\n0.263058 0.952586 0.376115 As\n0.735719 0.750000 0.863660 As\n0.764281 0.250000 0.363660 As\n0.264281 0.250000 0.136340 As\n0.235719 0.750000 0.636340 As\n0.236942 0.047414 0.876115 As\n0.136783 0.250000 0.555110 O\n0.863217 0.750000 0.444890 O\n0.636783 0.250000 0.944890 O\n0.363217 0.750000 0.055110 O\n",
"nsites": 32,
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],
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"formula_full": "Sr12 Ta4 As12 O4",
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"spacegroup": 62
}
]
}