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{
"id": "jvasp-121120",
"created_at": "2022-09-04T14:38:53.853150Z",
"updated_at": "2022-09-04T14:38:53.853182Z",
"structure_string": "I3 Cl1\n1.0\n5.998539 -0.793936 0.580867\n-1.265024 -4.099222 -0.533583\n-1.828688 -4.457311 -7.112174\nI Cl\n3 1\ndirect\n-0.017693 0.977087 0.042448 I\n0.578878 0.330652 0.256137 I\n0.340166 0.545446 0.840184 I\n0.759092 0.165994 0.593817 Cl\n",
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{
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"structure_string": "I2 F2\n1.0\n7.362554 0.532497 -0.950943\n0.891817 -4.061892 -0.485612\n2.354089 0.702422 -3.806579\nI F\n2 2\ndirect\n0.008974 0.843465 0.069613 I\n0.428882 0.010218 0.432824 I\n0.263740 0.284713 0.268230 F\n0.612593 0.721654 0.606104 F\n",
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{
"id": "jvasp-121289",
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"structure_string": "As3 H1\n1.0\n5.862707 0.485831 0.977321\n-2.601119 -5.259432 -0.279103\n-1.017492 1.980304 -3.168968\nAs H\n3 1\ndirect\n0.906320 0.005204 0.059338 As\n0.975575 0.466869 0.075381 As\n0.574596 0.110500 0.191650 As\n0.203103 0.244863 0.582829 H\n",
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{
"id": "jvasp-118011",
"created_at": "2022-09-04T14:38:54.021070Z",
"updated_at": "2022-09-04T14:38:54.021099Z",
"structure_string": "Cd1 O3\n1.0\n3.148097 0.099649 0.195998\n0.098273 -3.181126 0.019593\n0.550766 2.750221 -5.564221\nCd O\n1 3\ndirect\n0.005732 0.042292 0.015137 Cd\n0.511176 0.536581 0.011932 O\n0.091167 0.356459 0.594542 O\n0.272544 0.453217 0.437454 O\n",
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{
"id": "jvasp-118928",
"created_at": "2022-09-04T14:38:54.101897Z",
"updated_at": "2022-09-04T14:38:54.101928Z",
"structure_string": "Au1 C3\n1.0\n6.002237 0.196965 -0.518820\n-1.793399 -2.833615 -0.499318\n-0.364107 -1.731720 -3.782534\nAu C\n1 3\ndirect\n0.437858 0.431897 0.338527 Au\n0.872893 0.089961 0.117684 C\n-0.007052 0.593984 0.732720 C\n-0.003982 0.940177 0.389456 C\n",
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{
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"created_at": "2022-09-04T14:38:54.166639Z",
"updated_at": "2022-09-04T14:38:54.166669Z",
"structure_string": "H2 C1\n1.0\n3.306978 -0.203493 -0.005584\n-0.886553 -1.526177 -0.020955\n0.021556 -2.056472 -3.144951\nH C\n2 1\ndirect\n0.236337 0.294205 0.133832 H\n-0.061817 0.442167 0.740757 H\n0.283136 0.683055 -0.206056 C\n",
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{
"id": "jvasp-122520",
"created_at": "2022-09-04T14:38:54.352577Z",
"updated_at": "2022-09-04T14:38:54.352598Z",
"structure_string": "Li3 V4 Sn1 O12\n1.0\n5.045633 0.004329 0.026302\n0.026177 5.347863 0.470498\n-0.031332 -0.012272 7.405841\nLi V Sn O\n3 4 1 12\ndirect\n0.501311 0.933934 0.211865 Li\n0.995759 0.425158 0.211579 Li\n0.502091 0.940527 0.720400 Li\n0.985394 0.977724 0.010866 V\n0.509157 0.522614 0.485478 V\n0.013582 0.008403 0.484226 V\n0.483389 0.493515 0.017461 V\n0.000641 0.422929 0.717149 Sn\n0.313164 0.224442 0.079918 O\n0.184476 0.339478 0.461820 O\n0.820134 0.349415 0.961522 O\n0.373592 0.544378 0.766647 O\n0.618708 0.538768 0.260091 O\n0.883050 0.028640 0.258995 O\n0.804197 0.722604 0.583770 O\n0.689330 0.843110 0.959431 O\n0.121441 0.044788 0.772137 O\n0.701891 0.230262 0.580601 O\n0.194348 0.718800 0.073537 O\n0.304347 0.831312 0.452903 O\n",
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"elements": [
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"O"
],
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"density": 4.4473208973101,
"density_atomic": 0.10006651496528195,
"volume": 199.8670584954317,
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"formula_full": "Li3 V4 Sn1 O12",
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"formula_anonymous": "AB3C4D12",
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{
"id": "jvasp-120895",
"created_at": "2022-09-04T14:38:54.373630Z",
"updated_at": "2022-09-04T14:38:54.373653Z",
"structure_string": "Bi2 O2\n1.0\n3.538842 -0.155144 -0.501007\n-1.557161 -4.701349 0.481318\n1.428001 0.285090 -4.801923\nBi O\n2 2\ndirect\n-0.008284 0.055806 0.074376 Bi\n0.241910 0.512432 0.526343 Bi\n0.934081 0.636572 0.218872 O\n0.515318 0.212753 0.648248 O\n",
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"elements": [
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"density": 9.663679549067037,
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"volume": 77.31790881495486,
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"formula_full": "Bi2 O2",
"formula_reduced": "BiO",
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"spacegroup": 1
},
{
"id": "jvasp-111646",
"created_at": "2022-09-04T14:38:54.506812Z",
"updated_at": "2022-09-04T14:38:54.506849Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n5.313166 -0.017011 -2.149509\n-2.250709 5.757471 -1.579444\n-0.010079 -0.009837 7.501614\nLi Mn Co O\n8 2 4 14\ndirect\n0.072421 0.563647 0.851033 Li\n0.634586 0.154630 0.715449 Li\n0.231512 0.706536 0.582999 Li\n0.787804 0.292495 0.436760 Li\n0.360515 0.856978 0.288024 Li\n0.913498 0.429214 0.130985 Li\n0.498018 0.998355 0.994461 Li\n0.565552 0.562367 0.851202 Li\n0.995577 0.995313 0.995505 Mn\n0.850514 0.853957 0.283077 Mn\n0.285722 0.286954 0.429963 Co\n0.430683 0.430540 0.142251 Co\n0.146302 0.146436 0.716384 Co\n0.715105 0.712533 0.573469 Co\n0.057007 0.278451 0.934165 O\n0.967694 0.737876 0.083102 O\n0.511564 0.284992 0.930714 O\n0.089919 0.865526 0.784715 O\n0.659424 0.433294 0.627105 O\n0.229894 0.010762 0.499482 O\n0.805756 0.583164 0.353529 O\n0.372475 0.154160 0.208619 O\n0.179235 0.406076 0.633590 O\n0.770083 0.989510 0.502794 O\n0.345006 0.559118 0.363112 O\n0.904421 0.128825 0.211577 O\n0.484772 0.714865 0.089056 O\n0.634944 0.863417 0.786872 O\n",
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"formula_full": "Li8 Mn2 Co4 O14",
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{
"id": "jvasp-121187",
"created_at": "2022-09-04T14:38:54.656935Z",
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"structure_string": "Li1 S3\n1.0\n5.071366 -0.843748 0.019639\n2.059116 -3.412727 -0.071506\n0.643677 0.450955 -5.129417\nLi S\n1 3\ndirect\n0.067448 -0.195953 0.854324 Li\n0.654283 0.649253 0.885186 S\n0.525757 0.733150 0.283340 S\n0.159048 0.688570 0.359848 S\n",
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{
"id": "jvasp-121071",
"created_at": "2022-09-04T14:38:54.675347Z",
"updated_at": "2022-09-04T14:38:54.675374Z",
"structure_string": "P3 H1\n1.0\n3.442181 0.528890 0.342949\n-2.805003 -4.904042 -0.727457\n-0.719385 -1.883666 -5.132175\nP H\n3 1\ndirect\n0.027718 0.687745 0.136355 P\n0.217581 0.418523 0.042248 P\n0.781677 0.874757 0.712129 P\n0.791351 0.691722 0.606770 H\n",
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{
"id": "jvasp-120845",
"created_at": "2022-09-04T14:38:54.728162Z",
"updated_at": "2022-09-04T14:38:54.728192Z",
"structure_string": "B2 Se1\n1.0\n4.893383 -0.318061 -0.756559\n1.359637 -3.736193 -0.003996\n2.336231 0.483470 -2.612279\nB Se\n2 1\ndirect\n0.901096 0.560135 0.520626 B\n0.456719 0.450272 0.059954 B\n0.877663 0.914005 0.001138 Se\n",
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}