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{
"id": "jvasp-9400",
"created_at": "2022-09-04T14:37:07.384185Z",
"updated_at": "2022-09-04T14:37:07.384203Z",
"structure_string": "La2 Ga2 O6\n1.0\n4.799568 -0.020654 2.705411\n1.571046 4.535207 2.705411\n-0.029145 -0.020654 5.509470\nLa Ga O\n2 2 6\ndirect\n0.745275 0.745276 0.745273 La\n0.245275 0.245275 0.245274 La\n0.495184 0.495184 0.495182 Ga\n0.995184 0.995185 0.995181 Ga\n0.678692 0.245047 0.811605 O\n0.245046 0.811608 0.678690 O\n0.811607 0.678692 0.245044 O\n0.311607 0.745046 0.178690 O\n0.178692 0.311607 0.745045 O\n0.745046 0.178692 0.311605 O\n",
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{
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"updated_at": "2022-09-04T14:37:06.793995Z",
"structure_string": "Na4 Ga4 O8\n1.0\n5.341946 0.000000 0.000000\n0.000000 5.569543 0.000000\n0.000000 0.000000 7.235977\nNa Ga O\n4 4 8\ndirect\n0.014141 0.068026 0.622465 Na\n0.514142 0.431974 0.122464 Na\n0.514142 0.931974 0.377536 Na\n0.014141 0.568025 0.877536 Na\n-0.000055 0.064209 0.126065 Ga\n0.499946 0.935791 0.873935 Ga\n0.499946 0.435791 0.626065 Ga\n-0.000055 0.564208 0.373935 Ga\n0.153033 0.458901 0.590456 O\n0.653033 0.541099 0.409545 O\n0.653033 0.041099 0.090456 O\n0.153033 0.958901 0.909545 O\n0.082382 0.888877 0.338490 O\n0.082382 0.388877 0.161510 O\n0.582382 0.611122 0.838491 O\n0.582382 0.111123 0.661510 O\n",
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{
"id": "jvasp-9402",
"created_at": "2022-09-04T14:36:54.181549Z",
"updated_at": "2022-09-04T14:36:54.181565Z",
"structure_string": "Sr3 Ti2 O7\n1.0\n3.856649 0.000000 -0.724871\n-0.136242 3.854241 -0.724871\n-0.004713 -0.004883 10.596938\nSr Ti O\n3 2 7\ndirect\n0.315642 0.315641 0.631282 Sr\n0.500000 0.500000 0.000000 Sr\n0.684360 0.684359 0.368718 Sr\n0.097629 0.097629 0.195259 Ti\n0.902372 0.902371 0.804742 Ti\n0.903879 0.403879 0.807756 O\n0.805958 0.805957 0.611915 O\n0.000000 0.000000 0.000000 O\n0.596122 0.096122 0.192245 O\n0.096122 0.596122 0.192245 O\n0.403880 0.903879 0.807756 O\n0.194043 0.194043 0.388086 O\n",
"nsites": 12,
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"density": 4.961780050315835,
"density_atomic": 0.07619511827962591,
"volume": 157.4904045159639,
"volume_molar": 7.903578202870619,
"formula_full": "Sr3 Ti2 O7",
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"formula_anonymous": "A2B3C7",
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{
"id": "jvasp-9403",
"created_at": "2022-09-04T14:37:06.456492Z",
"updated_at": "2022-09-04T14:37:06.456517Z",
"structure_string": "K4 Sb2 F10\n1.0\n5.736147 0.000000 -2.623291\n-0.000000 6.557540 -0.000000\n-0.131457 -0.000000 7.295592\nK Sb F\n4 2 10\ndirect\n0.755670 0.750000 0.511341 K\n0.244329 0.250000 0.488659 K\n0.556219 0.250000 0.112436 K\n0.443781 0.750000 0.887564 K\n0.087921 0.750000 0.175843 Sb\n0.912079 0.250000 0.824157 Sb\n0.355952 0.530078 0.234160 F\n0.121793 0.469922 0.765840 F\n0.644048 0.030078 0.765840 F\n0.878207 0.969922 0.234160 F\n0.644048 0.469922 0.765840 F\n0.878207 0.530078 0.234160 F\n0.761384 0.250000 0.522769 F\n0.238615 0.750000 0.477231 F\n0.121793 0.030078 0.765840 F\n0.355952 0.969922 0.234160 F\n",
"nsites": 16,
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"elements": [
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"density": 3.599128001636641,
"density_atomic": 0.05878842420905909,
"volume": 272.1624233897131,
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"formula_full": "K4 Sb2 F10",
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"formula_anonymous": "AB2C5",
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{
"id": "jvasp-9404",
"created_at": "2022-09-04T14:37:07.072475Z",
"updated_at": "2022-09-04T14:37:07.072498Z",
"structure_string": "Sr2 Se2 O6\n1.0\n0.000000 4.464303 -0.038908\n5.520151 0.000000 0.000000\n0.000000 -2.030384 -6.269843\nSr Se O\n2 2 6\ndirect\n0.656682 0.750000 0.302828 Sr\n0.343318 0.250000 0.697172 Sr\n0.935157 0.750000 0.845065 Se\n0.064843 0.250000 0.154935 Se\n0.175953 0.008825 0.329000 O\n0.824047 0.508825 0.671000 O\n0.824047 0.991174 0.671000 O\n0.175953 0.491174 0.329000 O\n0.663141 0.250000 0.107068 O\n0.336859 0.750000 0.892932 O\n",
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"elements": [
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"density": 4.599169451802488,
"density_atomic": 0.06453788368859945,
"volume": 154.94775205599888,
"volume_molar": 9.331171733268047,
"formula_full": "Sr2 Se2 O6",
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"spacegroup": 11
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{
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"created_at": "2022-09-04T14:35:49.330364Z",
"updated_at": "2022-09-04T14:35:49.330390Z",
"structure_string": "Mg6 V1 Sb1\n1.0\n6.278107 0.093788 0.000000\n-3.057831 5.296318 0.000000\n0.000000 0.000000 5.143382\nMg V Sb\n6 1 1\ndirect\n0.665834 0.330791 0.250000 Mg\n0.665834 0.835042 0.250000 Mg\n0.335945 0.177812 0.750000 Mg\n0.335945 0.658134 0.750000 Mg\n0.843854 0.171927 0.750000 Mg\n0.824833 0.662417 0.750000 Mg\n0.166468 0.333234 0.250000 V\n0.161293 0.830646 0.250000 Sb\n",
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"density": 3.0663393646115074,
"density_atomic": 0.046377648120831734,
"volume": 172.49688856918536,
"volume_molar": 12.985006795320865,
"formula_full": "Mg6 V1 Sb1",
"formula_reduced": "Mg6VSb",
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"spacegroup": 38
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{
"id": "jvasp-94048",
"created_at": "2022-09-04T14:35:51.118861Z",
"updated_at": "2022-09-04T14:35:51.118877Z",
"structure_string": "Mg6 V1 Bi1\n1.0\n6.319726 0.071805 0.000000\n-3.097678 5.508945 0.000000\n0.000000 0.000000 5.100440\nMg V Bi\n6 1 1\ndirect\n0.158276 0.816128 0.250000 Mg\n0.683874 0.341725 0.250000 Mg\n0.663687 0.836315 0.250000 Mg\n0.329087 0.657921 0.750000 Mg\n0.842081 0.170914 0.750000 Mg\n0.829758 0.670244 0.750000 Mg\n0.163246 0.336755 0.250000 V\n0.329996 0.170005 0.750000 Bi\n",
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"volume": 178.70642023984186,
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"formula_full": "Mg6 V1 Bi1",
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{
"id": "jvasp-9405",
"created_at": "2022-09-04T14:37:07.749805Z",
"updated_at": "2022-09-04T14:37:07.749834Z",
"structure_string": "Tl1 Cr5 Se8\n1.0\n3.599155 -0.000000 -0.698789\n-0.430523 8.695999 -2.217439\n-0.004371 -0.003546 9.595726\nTl Cr Se\n1 5 8\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500001 0.500000 -0.000000 Cr\n0.157377 0.474828 0.314753 Cr\n0.203953 0.835588 0.407904 Cr\n0.796049 0.164412 0.592097 Cr\n0.842626 0.525172 0.685248 Cr\n0.925332 0.343175 0.850661 Se\n0.330831 0.007177 0.661661 Se\n0.669171 0.992822 0.338339 Se\n0.415045 0.678808 0.830087 Se\n0.584957 0.321191 0.169913 Se\n0.737864 0.656556 0.475725 Se\n0.262138 0.343444 0.524275 Se\n0.074671 0.656825 0.149340 Se\n",
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"volume": 300.27348657471885,
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"spacegroup": 12
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{
"id": "jvasp-94050",
"created_at": "2022-09-04T14:35:52.567944Z",
"updated_at": "2022-09-04T14:35:52.567959Z",
"structure_string": "Hf1 Mg6 V1\n1.0\n6.372754 0.319714 0.000000\n-2.909497 5.039395 0.000000\n0.000000 0.000000 5.007184\nHf Mg V\n1 6 1\ndirect\n0.147510 0.823756 0.250000 Hf\n0.649000 0.324236 0.250000 Mg\n0.649000 0.824764 0.250000 Mg\n0.334570 0.170715 0.749999 Mg\n0.334570 0.663857 0.749999 Mg\n0.878439 0.189220 0.749999 Mg\n0.845966 0.672984 0.749999 Mg\n0.160941 0.330470 0.250000 V\n",
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{
"id": "jvasp-94056",
"created_at": "2022-09-04T14:35:54.364433Z",
"updated_at": "2022-09-04T14:35:54.364451Z",
"structure_string": "Na1 Mg6 V1\n1.0\n6.337131 0.000355 0.000000\n-3.168259 5.488294 0.000000\n0.000000 0.000000 5.109653\nNa Mg V\n1 6 1\ndirect\n0.416668 0.083331 0.750000 Na\n0.077322 0.913655 0.250000 Mg\n0.586343 0.422677 0.250000 Mg\n0.586353 0.913645 0.250000 Mg\n0.402768 0.576393 0.750000 Mg\n0.923605 0.097230 0.750000 Mg\n0.923584 0.576414 0.750000 Mg\n0.083352 0.416648 0.250000 V\n",
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{
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"created_at": "2022-09-04T14:37:08.597104Z",
"updated_at": "2022-09-04T14:37:08.597125Z",
"structure_string": "Rb2 Au2 F8\n1.0\n5.630167 0.000000 -2.593793\n-1.194949 5.501897 -2.593793\n-0.002927 -0.003631 7.401050\nRb Au F\n2 2 8\ndirect\n0.250000 0.250000 0.500000 Rb\n0.750000 0.750000 0.500001 Rb\n-0.000000 0.500000 0.000000 Au\n0.500000 -0.000000 0.000000 Au\n0.956053 0.456053 0.229843 F\n0.726211 0.226211 0.770159 F\n0.043947 0.543948 0.770158 F\n0.226210 0.043948 0.770158 F\n0.273789 0.773790 0.229842 F\n0.456053 0.273790 0.229842 F\n0.773790 0.956053 0.229843 F\n0.543947 0.726211 0.770159 F\n",
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{
"id": "jvasp-94060",
"created_at": "2022-09-04T14:35:56.519816Z",
"updated_at": "2022-09-04T14:35:56.519837Z",
"structure_string": "Mg6 Nb1 V1\n1.0\n6.249031 0.192212 0.000000\n-2.958056 5.123502 0.000000\n0.000000 0.000000 4.964860\nMg Nb V\n6 1 1\ndirect\n0.654022 0.327574 0.250000 Mg\n0.654022 0.826447 0.250000 Mg\n0.330268 0.162636 0.750000 Mg\n0.330267 0.667632 0.750000 Mg\n0.863336 0.181669 0.750000 Mg\n0.855384 0.677692 0.750000 Mg\n0.153233 0.826616 0.250000 Nb\n0.159466 0.329732 0.250000 V\n",
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"formula_full": "Mg6 Nb1 V1",
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}