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{
"id": "jvasp-95286",
"created_at": "2022-09-04T14:36:04.862083Z",
"updated_at": "2022-09-04T14:36:04.862116Z",
"structure_string": "Sr4 Li4 B4 O12\n1.0\n6.083266 0.000000 -2.194235\n0.000000 6.733810 0.000000\n-0.017395 0.000000 6.919157\nSr Li B O\n4 4 4 12\ndirect\n0.197834 0.124411 0.864874 Sr\n0.802166 0.875589 0.135126 Sr\n0.697835 0.375589 0.364874 Sr\n0.302165 0.624411 0.635126 Sr\n0.601621 0.090925 0.694689 Li\n0.898379 0.590925 0.805311 Li\n0.398379 0.909075 0.305311 Li\n0.101621 0.409075 0.194689 Li\n0.189910 0.135737 0.426076 B\n0.689910 0.364263 0.926075 B\n0.810090 0.864263 0.573924 B\n0.310090 0.635737 0.073924 B\n0.840330 0.886339 0.782700 O\n0.392559 0.801134 0.007256 O\n0.159669 0.113661 0.217300 O\n0.340330 0.613660 0.282700 O\n0.804217 0.509916 0.062395 O\n0.304216 0.990084 0.562395 O\n0.195783 0.490084 0.937605 O\n0.892559 0.698865 0.507256 O\n0.107441 0.301135 0.492744 O\n0.659669 0.386339 0.717300 O\n0.695783 0.009916 0.437604 O\n0.607441 0.198865 0.992744 O\n",
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"structure_string": "Mn6 O4 F8\n1.0\n4.763891 -0.000000 0.000000\n-0.000000 4.763891 0.000000\n0.000000 0.000000 9.358180\nMn O F\n6 4 8\ndirect\n0.000000 0.000000 0.850124 Mn\n0.000000 0.000000 0.149876 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.500000 0.649876 Mn\n0.500000 0.500000 0.000000 Mn\n0.500000 0.500000 0.350124 Mn\n0.809795 0.190205 0.000000 O\n0.690205 0.690205 0.500000 O\n0.190205 0.809795 0.000000 O\n0.309795 0.309795 0.500000 O\n0.813490 0.186510 0.315988 F\n0.186510 0.813490 0.315988 F\n0.186510 0.813490 0.684012 F\n0.313490 0.313490 0.815988 F\n0.313490 0.313490 0.184012 F\n0.686510 0.686510 0.815988 F\n0.686510 0.686510 0.184012 F\n0.813490 0.186510 0.684012 F\n",
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{
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"updated_at": "2022-09-04T14:36:52.452833Z",
"structure_string": "Al2 B2 Mo2\n1.0\n3.115331 0.000000 0.000000\n0.000000 3.154799 -0.724578\n0.000000 -0.006011 7.204093\nAl B Mo\n2 2 2\ndirect\n0.750000 0.301578 0.603156 Al\n0.250000 0.698422 0.396843 Al\n0.250000 0.532984 0.065968 B\n0.750000 0.467017 0.934031 B\n0.250000 0.910467 0.820933 Mo\n0.750000 0.089533 0.179067 Mo\n",
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{
"id": "jvasp-98880",
"created_at": "2022-09-04T14:35:49.238195Z",
"updated_at": "2022-09-04T14:35:49.238213Z",
"structure_string": "Ba4 Al4 H20\n1.0\n9.207352 0.000000 0.000000\n0.000000 7.042981 0.000000\n0.000000 0.000000 5.094183\nBa Al H\n4 4 20\ndirect\n0.186008 0.345454 0.253997 Ba\n0.813991 0.654545 0.753997 Ba\n0.313991 0.845454 0.753997 Ba\n0.686008 0.154545 0.253997 Ba\n0.540951 0.654210 0.228981 Al\n0.459049 0.345790 0.728981 Al\n0.959048 0.154210 0.728981 Al\n0.040951 0.845790 0.228981 Al\n0.578307 0.788084 0.501913 H\n0.859346 0.803876 0.234459 H\n0.140654 0.196124 0.734459 H\n0.793695 0.043971 0.714497 H\n0.359346 0.696124 0.234459 H\n0.206305 0.956029 0.214497 H\n0.421693 0.211915 0.001913 H\n0.640654 0.303876 0.734459 H\n0.921693 0.288084 0.001913 H\n0.916271 0.343605 0.523827 H\n0.583729 0.843605 0.023828 H\n0.416271 0.156395 0.523827 H\n0.293695 0.456029 0.714497 H\n0.083729 0.656395 0.023828 H\n0.007157 0.948692 0.909324 H\n0.992843 0.051307 0.409324 H\n0.492843 0.448692 0.409324 H\n0.507157 0.551307 0.909324 H\n0.078307 0.711915 0.501913 H\n0.706305 0.543971 0.214497 H\n",
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{
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"created_at": "2022-09-04T14:38:35.655187Z",
"updated_at": "2022-09-04T14:38:35.655201Z",
"structure_string": "Zn4 Sn2 Sb2 O12\n1.0\n0.000000 5.414818 -0.009724\n8.043126 0.000000 0.000000\n0.000000 -0.001640 -5.417855\nZn Sn Sb O\n4 2 2 12\ndirect\n0.528429 0.750000 0.511090 Zn\n0.471572 0.250000 0.488908 Zn\n0.022781 0.750000 0.988575 Zn\n0.977219 0.250000 0.011423 Zn\n0.000000 0.500000 0.500000 Sn\n0.000000 0.000000 0.500000 Sn\n0.500000 0.500000 -0.000000 Sb\n0.500000 0.000000 -0.000000 Sb\n0.329248 0.572636 0.337893 O\n0.899773 0.750000 0.628047 O\n0.670753 0.072635 0.662106 O\n0.596390 0.250000 0.121018 O\n0.832307 0.927909 0.168157 O\n0.167693 0.072091 0.831842 O\n0.832307 0.572091 0.168157 O\n0.329248 0.927365 0.337893 O\n0.403610 0.750000 0.878980 O\n0.670753 0.427365 0.662106 O\n0.167693 0.427909 0.831842 O\n0.100227 0.250000 0.371951 O\n",
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"formula_full": "Zn4 Sn2 Sb2 O12",
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{
"id": "jvasp-55732",
"created_at": "2022-09-04T14:38:36.277967Z",
"updated_at": "2022-09-04T14:38:36.277987Z",
"structure_string": "K4 Li2 Al2 H12\n1.0\n5.504749 -0.000000 0.000000\n0.000000 5.504748 0.000000\n0.000000 0.000000 7.786821\nK Li Al H\n4 2 2 12\ndirect\n0.000000 0.500000 0.249986 K\n0.000000 0.500000 0.750014 K\n0.500000 0.000000 0.749986 K\n0.500000 0.000000 0.250014 K\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.270114 0.270153 0.500000 H\n0.729887 0.270153 0.500000 H\n0.729887 0.729848 0.500000 H\n0.270114 0.729848 0.500000 H\n0.000000 0.000000 0.770228 H\n0.229887 0.229848 0.000000 H\n0.770114 0.770153 0.000000 H\n0.229887 0.770153 0.000000 H\n0.500000 0.500000 0.729771 H\n0.770114 0.229848 0.000000 H\n0.000000 0.000000 0.229771 H\n0.500000 0.500000 0.270229 H\n",
"nsites": 20,
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{
"id": "jvasp-51442",
"created_at": "2022-09-04T14:35:45.078085Z",
"updated_at": "2022-09-04T14:35:45.078104Z",
"structure_string": "Ga1 Fe2 Co1\n1.0\n3.512789 0.000000 2.028109\n1.170930 3.311890 2.028109\n0.000000 0.000000 4.056220\nGa Fe Co\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Ga\n0.750000 0.750000 0.750000 Fe\n0.250000 0.250000 0.250000 Fe\n0.000000 0.000000 0.000000 Co\n",
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{
"id": "jvasp-34817",
"created_at": "2022-09-04T14:37:12.089956Z",
"updated_at": "2022-09-04T14:37:12.089977Z",
"structure_string": "Sr2 Ni1 N6 O12\n1.0\n6.105254 -0.000000 3.524870\n2.035084 5.756088 3.524870\n0.000000 0.000000 7.049740\nSr Ni N O\n2 1 6 12\ndirect\n0.250000 0.250001 0.250000 Sr\n0.749999 0.750001 0.750000 Sr\n0.000000 0.000000 0.000000 Ni\n0.202425 0.202425 0.797575 N\n0.202426 0.797575 0.797574 N\n0.797574 0.202425 0.202427 N\n0.797574 0.202425 0.797575 N\n0.202426 0.797575 0.202426 N\n0.797573 0.797575 0.202426 N\n0.607997 -0.000000 0.999999 O\n-0.000000 -0.000000 0.607998 O\n0.607997 -0.000000 0.392003 O\n0.392002 0.000000 0.000001 O\n0.392004 0.607997 0.000000 O\n0.999998 0.392003 0.607997 O\n-0.000000 0.607997 0.392004 O\n0.999998 0.392003 0.000001 O\n0.392002 -0.000000 0.607997 O\n0.607996 0.392003 0.000000 O\n-0.000000 -0.000000 0.392003 O\n-0.000000 0.607997 0.000000 O\n",
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{
"id": "jvasp-50767",
"created_at": "2022-09-04T14:35:58.305293Z",
"updated_at": "2022-09-04T14:35:58.305321Z",
"structure_string": "Li4 Cu1 F7\n1.0\n5.850059 -0.000000 -0.000000\n-0.000000 5.850059 -0.000000\n-2.925029 -2.925029 4.136616\nLi Cu F\n4 1 7\ndirect\n0.118461 0.372821 0.745642 Li\n0.627180 0.372821 0.745642 Li\n0.627180 0.372821 0.254359 Li\n0.627180 0.881540 0.254359 Li\n0.000000 0.000000 0.000000 Cu\n0.235290 0.235290 0.470580 F\n0.235290 0.235290 0.000000 F\n0.235290 0.764710 0.000000 F\n0.750000 0.250000 0.500000 F\n0.764710 0.764710 0.529421 F\n0.764710 0.235290 0.000000 F\n0.764710 0.764710 0.000000 F\n",
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{
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"created_at": "2022-09-04T14:35:44.523882Z",
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"structure_string": "Cu6 As4 O16\n1.0\n5.139806 -0.010507 0.000000\n-2.030296 5.097581 0.000000\n0.000000 0.000000 11.716411\nCu As O\n6 4 16\ndirect\n0.244693 0.861415 0.163557 Cu\n0.744693 0.861415 0.336443 Cu\n-0.000000 0.500000 0.500000 Cu\n0.255307 0.138584 0.663557 Cu\n0.500000 0.500000 0.000000 Cu\n0.755307 0.138584 0.836443 Cu\n0.106349 0.732577 0.884909 As\n0.393650 0.267422 0.384909 As\n0.893651 0.267422 0.115091 As\n0.606349 0.732577 0.615091 As\n0.212841 0.276011 0.512727 O\n0.330624 0.007657 0.812991 O\n0.593852 0.456343 0.686206 O\n0.200107 0.219036 0.081890 O\n0.799893 0.780963 0.918110 O\n0.906148 0.543656 0.186206 O\n0.299893 0.780963 0.581890 O\n0.169376 0.992343 0.312991 O\n0.287158 0.723988 0.012727 O\n0.406147 0.543656 0.313794 O\n0.700107 0.219036 0.418110 O\n0.093852 0.456343 0.813794 O\n0.669376 0.992342 0.187009 O\n0.787158 0.723988 0.487272 O\n0.830624 0.007656 0.687009 O\n0.712842 0.276011 0.987272 O\n",
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{
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"created_at": "2022-09-04T14:36:02.111754Z",
"updated_at": "2022-09-04T14:36:02.111778Z",
"structure_string": "Li4 Fe1 N2\n1.0\n3.152832 0.000000 1.182072\n0.883862 5.050445 2.438221\n-0.284555 1.139376 5.554635\nLi Fe N\n4 1 2\ndirect\n0.658824 0.601476 0.080876 Li\n0.341175 0.398525 -0.080877 Li\n0.341174 -0.080876 0.398525 Li\n0.658823 0.080877 0.601476 Li\n0.000000 0.000000 0.000000 Fe\n0.179252 0.820747 0.820746 N\n0.820745 0.179255 0.179254 N\n",
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{
"id": "jvasp-9849",
"created_at": "2022-09-04T14:38:11.448225Z",
"updated_at": "2022-09-04T14:38:11.448252Z",
"structure_string": "Ca4 Al2 Co2 O10\n1.0\n5.203116 0.000309 -0.000342\n-0.000332 5.504773 -0.011894\n-2.600949 -2.736528 7.419664\nCa Al Co O\n4 2 2 10\ndirect\n0.897605 0.358606 0.781463 Ca\n0.615975 0.076945 0.218129 Ca\n0.115972 0.637487 0.218131 Ca\n0.397611 0.919151 0.781466 Ca\n0.794016 0.673831 0.499800 Al\n0.294010 0.322263 0.499792 Al\n0.496510 0.498046 0.999792 Co\n0.996511 0.998043 0.999793 Co\n0.237045 0.739213 0.975020 O\n0.261929 0.256772 0.024571 O\n0.116740 0.078047 0.293329 O\n0.823233 0.918044 0.706269 O\n0.136054 0.613615 0.499796 O\n0.323218 0.284505 0.706256 O\n0.636053 0.382478 0.499794 O\n0.737043 0.732101 0.975020 O\n0.616741 0.711597 0.293343 O\n0.761925 0.264095 0.024569 O\n",
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}