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{
"id": "jvasp-30206",
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"updated_at": "2022-09-04T14:37:06.802326Z",
"structure_string": "Ta3 O5 F5\n1.0\n-1.966426 2.003588 11.893206\n1.966426 -2.003588 11.893206\n1.966426 2.003588 -11.893206\nTa O F\n3 5 5\ndirect\n0.000000 0.000000 0.000000 Ta\n0.162895 0.162895 0.000000 Ta\n0.837105 0.837105 0.000000 Ta\n0.838188 0.338188 0.500000 O\n0.500000 0.000000 0.500000 O\n0.081601 0.081601 -0.000000 O\n0.918400 0.918400 0.000000 O\n0.161812 0.661813 0.500001 O\n0.663703 0.163702 0.500000 F\n0.243445 0.243445 0.000000 F\n0.756554 0.756554 -0.000000 F\n0.000000 0.500001 0.500001 F\n0.336298 0.836299 0.500001 F\n",
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"structure_string": "Ca2 Ni3 O8\n1.0\n4.725916 0.010668 -1.456266\n-0.852841 5.068741 -2.730532\n0.002476 -0.016602 6.171466\nCa Ni O\n2 3 8\ndirect\n0.664709 0.722138 0.444276 Ca\n0.335292 0.277863 0.555725 Ca\n0.500001 0.999999 0.000000 Ni\n1.000000 0.747530 -0.000000 Ni\n1.000000 0.252471 -0.000000 Ni\n0.035764 0.397270 0.794542 O\n0.964238 0.602729 0.205459 O\n0.099337 0.905102 0.810206 O\n0.900664 0.094897 0.189794 O\n0.389253 0.322335 0.199571 O\n0.389253 0.877236 0.199571 O\n0.610750 0.122763 0.800430 O\n0.610750 0.677666 0.800430 O\n",
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{
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"structure_string": "Rb1 Cr4 O8\n1.0\n2.970827 0.012738 0.001531\n-1.455407 -6.964912 -0.013589\n-1.481776 0.005957 -6.959797\nRb Cr O\n1 4 8\ndirect\n0.500008 0.999998 0.000003 Rb\n0.652633 0.815651 0.489604 Cr\n0.836976 0.489627 0.184337 Cr\n0.347357 0.184355 0.510396 Cr\n0.163033 0.510369 0.815655 Cr\n0.836992 0.297304 0.376716 O\n0.163008 0.702705 0.623293 O\n0.539718 0.376647 0.702769 O\n0.460276 0.623352 0.297227 O\n0.795922 0.640925 0.950928 O\n0.844966 0.049030 0.640929 O\n0.204077 0.359060 0.049072 O\n0.155024 0.950970 0.359072 O\n",
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{
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"created_at": "2022-09-04T14:37:02.709612Z",
"updated_at": "2022-09-04T14:37:02.709628Z",
"structure_string": "Ca1 Ti2 F10\n1.0\n5.165160 -0.025726 1.970249\n1.079438 5.051174 1.970249\n0.050313 0.040489 7.766899\nCa Ti F\n1 2 10\ndirect\n0.456690 0.543309 0.750000 Ca\n0.982678 0.985466 0.011650 Ti\n0.014532 0.017323 0.488351 Ti\n0.171445 0.269058 0.885532 F\n0.730942 0.828554 0.614469 F\n0.798002 0.726158 0.136725 F\n0.273840 0.201998 0.363275 F\n0.066511 0.933489 0.750000 F\n0.949975 0.050025 0.250000 F\n0.255901 0.695425 0.498439 F\n0.304575 0.744098 0.001561 F\n0.767572 0.313435 0.546774 F\n0.686564 0.232427 0.953226 F\n",
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{
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"created_at": "2022-09-04T14:36:56.507293Z",
"updated_at": "2022-09-04T14:36:56.507325Z",
"structure_string": "K6 Fe2 O5\n1.0\n6.616853 0.008689 0.014416\n-0.294173 6.590228 0.080667\n-0.294173 -3.006554 5.865001\nK Fe O\n6 2 5\ndirect\n0.990020 0.199433 0.795484 K\n0.174915 0.361215 0.361215 K\n0.499441 0.759265 0.248792 K\n0.499441 0.248792 0.759264 K\n0.835804 0.639921 0.639921 K\n0.990020 0.795484 0.199433 K\n0.336246 0.794491 0.794490 Fe\n0.689011 0.190014 0.190014 Fe\n0.217547 0.843135 0.562504 O\n0.217547 0.562504 0.843134 O\n0.602424 0.922543 0.922542 O\n0.768343 0.164250 0.447365 O\n0.768343 0.447365 0.164250 O\n",
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"volume": 257.412842631766,
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{
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"created_at": "2022-09-04T14:37:06.858293Z",
"updated_at": "2022-09-04T14:37:06.858314Z",
"structure_string": "Ga4 Ge1 O8\n1.0\n2.993198 0.000000 0.581382\n1.395691 6.136925 0.810206\n0.009092 -0.009632 7.949000\nGa Ge O\n4 1 8\ndirect\n0.460923 0.359152 0.719002 Ga\n0.539077 0.640848 0.280999 Ga\n0.758586 0.844522 0.638306 Ga\n0.241414 0.155477 0.361695 Ga\n0.000000 0.000000 0.000000 Ge\n0.888577 0.526866 0.695981 O\n0.111423 0.473133 0.304019 O\n0.438500 0.192798 0.930201 O\n0.561500 0.807202 0.069799 O\n0.645244 0.171369 0.538143 O\n0.840294 0.102105 0.217307 O\n0.159706 0.897894 0.782693 O\n0.354756 0.828631 0.461857 O\n",
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{
"id": "jvasp-10191",
"created_at": "2022-09-04T14:37:04.392893Z",
"updated_at": "2022-09-04T14:37:04.392918Z",
"structure_string": "Li6 Te1 O6\n1.0\n5.048219 0.008027 -0.984431\n-1.196435 4.904399 -0.984431\n0.006294 0.008027 5.143305\nLi Te O\n6 1 6\ndirect\n0.696835 0.917064 0.402557 Li\n0.597444 0.303166 0.082937 Li\n0.082937 0.597444 0.303165 Li\n0.303165 0.082937 0.597443 Li\n0.402557 0.696835 0.917063 Li\n0.917064 0.402558 0.696834 Li\n0.000000 0.000000 0.000000 Te\n0.773500 0.680606 0.068647 O\n0.931353 0.226501 0.319394 O\n0.319395 0.931353 0.226501 O\n0.226500 0.319395 0.931352 O\n0.068647 0.773500 0.680605 O\n0.680606 0.068648 0.773499 O\n",
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{
"id": "jvasp-52375",
"created_at": "2022-09-04T14:36:55.497778Z",
"updated_at": "2022-09-04T14:36:55.497801Z",
"structure_string": "Hf1 Mn6 Sn6\n1.0\n2.698708 -4.674301 -0.000000\n2.698708 4.674301 0.000000\n-0.000000 0.000000 8.939219\nHf Mn Sn\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Hf\n0.000000 0.500000 0.752704 Mn\n0.000000 0.500000 0.247297 Mn\n0.500000 0.000000 0.752704 Mn\n0.500000 0.000000 0.247297 Mn\n0.500000 0.500000 0.752704 Mn\n0.500000 0.500000 0.247297 Mn\n0.333333 0.666667 0.000000 Sn\n0.333333 0.666667 0.500000 Sn\n0.000000 0.000000 0.674006 Sn\n0.000000 0.000000 0.325994 Sn\n0.666667 0.333333 0.000000 Sn\n0.666667 0.333333 0.500000 Sn\n",
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{
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"created_at": "2022-09-04T14:37:02.483001Z",
"updated_at": "2022-09-04T14:37:02.483021Z",
"structure_string": "Na2 Mn3 Cl8\n1.0\n6.507051 0.003270 4.242128\n2.300097 6.086975 4.242128\n0.004729 0.003270 7.767710\nNa Mn Cl\n2 3 8\ndirect\n0.158826 0.158826 0.158826 Na\n0.841174 0.841175 0.841174 Na\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.406265 0.406266 0.406265 Cl\n0.593735 0.593735 0.593735 Cl\n0.899117 0.420855 0.899117 Cl\n0.899117 0.899118 0.420855 Cl\n0.420855 0.899118 0.899117 Cl\n0.579145 0.100883 0.100883 Cl\n0.100883 0.579145 0.100883 Cl\n0.100883 0.100883 0.579145 Cl\n",
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{
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"created_at": "2022-09-04T14:37:03.240702Z",
"updated_at": "2022-09-04T14:37:03.240728Z",
"structure_string": "Ti3 Zn2 O8\n1.0\n5.881013 0.071791 0.050764\n3.002680 5.200794 0.000000\n3.002680 1.733598 4.903356\nTi Zn O\n3 2 8\ndirect\n0.625000 0.125000 0.625000 Ti\n0.625000 0.625000 0.125000 Ti\n0.625000 0.625000 0.625000 Ti\n0.971825 0.009392 0.009391 Zn\n0.278174 0.240608 0.240608 Zn\n0.415355 0.372985 0.372985 O\n0.415354 0.372985 0.838675 O\n0.415355 0.838674 0.372985 O\n0.854817 0.381728 0.381728 O\n0.395182 0.868272 0.868273 O\n0.834645 0.877014 0.411325 O\n0.834645 0.411325 0.877015 O\n0.834645 0.877014 0.877015 O\n",
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{
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"created_at": "2022-09-04T14:37:06.829198Z",
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"structure_string": "Hf1 Mn6 Ge6\n1.0\n2.560748 -4.435345 -0.000000\n2.560748 4.435345 -0.000000\n-0.000000 -0.000000 8.090757\nHf Mn Ge\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Hf\n0.000000 0.500000 0.249174 Mn\n0.000000 0.500000 0.750826 Mn\n0.500000 0.000000 0.750826 Mn\n0.500000 0.500000 0.750826 Mn\n0.500000 0.000000 0.249174 Mn\n0.500000 0.500000 0.249174 Mn\n0.000000 0.000000 0.337422 Ge\n0.333334 0.666667 0.000000 Ge\n0.666667 0.333334 0.500000 Ge\n0.333334 0.666667 0.500000 Ge\n0.000000 0.000000 0.662578 Ge\n0.666667 0.333334 0.000000 Ge\n",
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{
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"created_at": "2022-09-04T14:37:03.705258Z",
"updated_at": "2022-09-04T14:37:03.705278Z",
"structure_string": "Zn1 H4 C4 O4\n1.0\n3.692658 0.062373 0.152379\n1.070635 4.100915 0.780411\n0.010388 -0.060135 7.329476\nZn H C O\n1 4 4 4\ndirect\n0.839987 0.933781 0.284771 Zn\n0.982800 0.611490 0.672650 H\n0.158625 0.176205 0.737854 H\n0.521587 0.691603 0.831681 H\n0.697445 0.256322 0.896880 H\n0.465174 0.393447 0.526646 C\n0.234794 0.407711 0.702638 C\n0.445438 0.460090 0.866892 C\n0.215073 0.474332 0.042887 C\n0.405732 0.646557 0.399802 O\n0.709966 0.124698 0.513821 O\n0.274514 0.221254 0.169745 O\n0.970257 0.743087 0.055691 O\n",
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]
}