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{
"id": "jvasp-47291",
"created_at": "2022-09-04T14:38:07.474974Z",
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"structure_string": "Cr6 O4 F4\n1.0\n0.000000 5.499945 -0.023310\n6.412336 0.000000 0.000000\n0.000000 -2.653695 -5.251576\nCr O F\n6 4 4\ndirect\n0.500000 0.500000 -0.000000 Cr\n0.000000 0.000000 0.000000 Cr\n0.247103 0.877582 0.540360 Cr\n0.252899 0.377581 0.459641 Cr\n0.747103 0.622419 0.540360 Cr\n0.752899 0.122419 0.459641 Cr\n0.474190 0.622262 0.678558 O\n0.025812 0.122262 0.321442 O\n0.974190 0.877739 0.678558 O\n0.525812 0.377738 0.321442 O\n0.130691 0.379788 0.757312 F\n0.630691 0.120212 0.757312 F\n0.369311 0.879789 0.242688 F\n0.869311 0.620212 0.242688 F\n",
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{
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"structure_string": "Si4 Rh4\n1.0\n0.000000 4.624867 -0.013791\n4.594932 0.000000 0.000000\n0.000000 -2.376474 -5.151113\nSi Rh\n4 4\ndirect\n0.784166 0.353145 0.052514 Si\n0.215835 0.853145 0.447486 Si\n0.215835 0.646854 0.947485 Si\n0.784166 0.146854 0.552514 Si\n0.299482 0.358835 0.623143 Rh\n0.700519 0.858834 0.876856 Rh\n0.700519 0.641165 0.376857 Rh\n0.299482 0.141165 0.123143 Rh\n",
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{
"id": "jvasp-30233",
"created_at": "2022-09-04T14:38:07.876341Z",
"updated_at": "2022-09-04T14:38:07.876359Z",
"structure_string": "Mn2 C4 O12\n1.0\n4.216599 0.000000 4.303042\n0.000000 7.561963 0.000000\n-2.203642 0.000000 4.318680\nMn C O\n2 4 12\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.122724 0.271280 0.773863 C\n0.377277 0.771280 0.726136 C\n0.622724 0.228720 0.273863 C\n0.877276 0.728719 0.226136 C\n0.803161 0.579424 0.353125 O\n0.696839 0.079425 0.146874 O\n0.552386 0.356500 0.147100 O\n0.609714 0.260819 0.541138 O\n0.390287 0.739180 0.458861 O\n0.196839 0.420575 0.646874 O\n0.303161 0.920575 0.853125 O\n0.947614 0.856500 0.352900 O\n0.052386 0.143500 0.647100 O\n0.109714 0.239180 0.041139 O\n0.447615 0.643499 0.852900 O\n0.890287 0.760819 0.958860 O\n",
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{
"id": "jvasp-9837",
"created_at": "2022-09-04T14:38:07.577657Z",
"updated_at": "2022-09-04T14:38:07.577670Z",
"structure_string": "Mo2 W2 O12\n1.0\n0.000000 5.214809 0.001309\n5.361955 0.000000 0.000000\n0.000000 -5.213079 -7.454866\nMo W O\n2 2 12\ndirect\n0.500000 0.000000 -0.000000 Mo\n0.500000 0.500000 0.500000 Mo\n0.000000 0.000000 0.500000 W\n0.000000 0.500000 0.000000 W\n0.171317 0.714233 0.457487 O\n0.828683 0.214234 0.042513 O\n0.828684 0.285766 0.542513 O\n0.171317 0.785765 0.957488 O\n0.754500 0.784061 0.542482 O\n0.245500 0.284061 0.957519 O\n0.245500 0.215938 0.457519 O\n0.754500 0.715938 0.042481 O\n0.335197 0.511413 0.250918 O\n0.664803 0.011413 0.249082 O\n0.335197 0.988586 0.750918 O\n0.664803 0.488587 0.749082 O\n",
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{
"id": "jvasp-30316",
"created_at": "2022-09-04T14:38:07.622715Z",
"updated_at": "2022-09-04T14:38:07.622746Z",
"structure_string": "Ni6 P24\n1.0\n4.840958 0.000000 0.009935\n0.000000 14.156597 0.000000\n-1.448458 0.000000 6.926654\nNi P\n6 24\ndirect\n-0.000000 0.500000 0.500000 Ni\n0.144155 0.329725 0.878050 Ni\n0.000000 0.000000 0.000000 Ni\n0.144156 0.170275 0.378051 Ni\n0.855844 0.829726 0.621949 Ni\n0.855845 0.670275 0.121950 Ni\n0.504580 0.283613 0.452639 P\n0.640761 0.892664 0.864342 P\n0.747210 0.115424 0.791312 P\n0.495420 0.783613 0.047361 P\n0.789270 0.448643 0.746229 P\n0.640762 0.607336 0.364342 P\n0.623003 0.554585 0.927758 P\n0.747210 0.384576 0.291312 P\n0.789270 0.051357 0.246229 P\n0.623003 0.945415 0.427758 P\n0.376997 0.445415 0.072242 P\n0.252790 0.884576 0.208688 P\n0.359239 0.107336 0.135658 P\n0.925329 0.227647 0.622915 P\n0.504580 0.216387 0.952639 P\n0.376997 0.054585 0.572242 P\n0.359238 0.392664 0.635658 P\n0.210730 0.551357 0.253771 P\n0.252790 0.615425 0.708688 P\n0.210730 0.948643 0.753771 P\n0.074671 0.772353 0.377085 P\n0.074671 0.727647 0.877085 P\n0.495420 0.716387 0.547361 P\n0.925329 0.272353 0.122915 P\n",
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},
{
"id": "jvasp-43060",
"created_at": "2022-09-04T14:38:07.689655Z",
"updated_at": "2022-09-04T14:38:07.689683Z",
"structure_string": "Na4 Co4 O6\n1.0\n0.000000 5.724506 0.007727\n5.587556 0.000000 0.000000\n0.000000 -2.837232 -5.384052\nNa Co O\n4 4 6\ndirect\n0.140885 0.346882 0.892862 Na\n0.140885 0.153119 0.392862 Na\n0.859116 0.846882 0.607137 Na\n0.859116 0.653119 0.107137 Na\n0.345199 0.628736 0.591824 Co\n0.654801 0.128735 0.908174 Co\n0.345199 0.871265 0.091825 Co\n0.654801 0.371265 0.408174 Co\n0.000000 0.500000 0.500000 O\n0.000000 0.000000 0.000000 O\n0.339766 0.925994 0.754508 O\n0.339766 0.574007 0.254509 O\n0.660234 0.425994 0.745490 O\n0.660234 0.074007 0.245491 O\n",
"nsites": 14,
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"volume": 172.09177806206816,
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"formula_full": "Na4 Co4 O6",
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},
{
"id": "jvasp-46720",
"created_at": "2022-09-04T14:38:07.752567Z",
"updated_at": "2022-09-04T14:38:07.752588Z",
"structure_string": "Li2 Mn4 P4 O16\n1.0\n0.000000 4.801384 0.004335\n10.013088 0.000000 0.000000\n0.000000 -0.066862 -6.051290\nLi Mn P O\n2 4 4 16\ndirect\n0.250083 0.797048 0.749792 Li\n0.749916 0.297048 0.250207 Li\n0.297250 0.516084 0.998241 Mn\n0.202800 0.078212 0.501805 Mn\n0.797199 0.578212 0.498194 Mn\n0.702750 0.016084 0.001758 Mn\n0.165422 0.202025 0.000545 P\n0.665469 0.892289 0.500528 P\n0.834578 0.702025 0.999454 P\n0.334531 0.392289 0.499471 P\n0.983859 0.906305 0.514919 O\n0.965902 0.624176 0.196823 O\n0.015871 0.136967 0.205647 O\n0.484101 0.457362 0.294386 O\n0.534191 0.970164 0.303167 O\n0.574489 0.744385 0.500408 O\n0.016140 0.406304 0.485080 O\n0.034097 0.124176 0.803177 O\n0.465809 0.470164 0.696832 O\n0.515899 0.957362 0.705613 O\n0.984129 0.636967 0.794352 O\n0.483818 0.187960 0.014917 O\n0.516181 0.687960 0.985083 O\n0.074572 0.349949 0.000401 O\n0.425511 0.244385 0.499591 O\n0.925428 0.849949 -0.000402 O\n",
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"formula_full": "Li2 Mn4 P4 O16",
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{
"id": "jvasp-32274",
"created_at": "2022-09-04T14:38:08.041622Z",
"updated_at": "2022-09-04T14:38:08.041642Z",
"structure_string": "Si4 H12 F4\n1.0\n4.554155 0.000000 -0.504509\n0.000000 7.407990 0.000000\n0.014472 0.000000 7.527954\nSi H F\n4 12 4\ndirect\n0.697758 0.732197 0.590814 Si\n0.802243 0.232197 0.909186 Si\n0.302243 0.267803 0.409186 Si\n0.197757 0.767803 0.090814 Si\n0.010797 0.221850 0.771548 H\n0.489203 0.721850 0.728452 H\n0.451878 0.892318 0.122250 H\n0.048122 0.392318 0.377750 H\n0.548122 0.107682 0.877750 H\n0.951879 0.607682 0.622249 H\n0.286443 0.578924 0.054907 H\n0.713557 0.421076 0.945093 H\n0.510798 0.278150 0.271548 H\n0.786443 0.921076 0.554907 H\n0.213557 0.078924 0.445093 H\n-0.010798 0.778150 0.228452 H\n0.009960 0.835800 0.902421 F\n0.490040 0.335800 0.597578 F\n0.990041 0.164200 0.097578 F\n0.509961 0.664200 0.402422 F\n",
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{
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"created_at": "2022-09-04T14:38:08.116300Z",
"updated_at": "2022-09-04T14:38:08.116330Z",
"structure_string": "Sb8 Cl4 O10\n1.0\n0.000000 6.265493 0.053829\n5.149485 0.000000 0.000000\n0.000000 -1.461658 -13.607540\nSb Cl O\n8 4 10\ndirect\n0.794213 0.620697 0.702417 Sb\n0.205786 0.120697 0.797583 Sb\n0.205786 0.379304 0.297583 Sb\n0.794213 0.879304 0.202417 Sb\n0.191059 0.721456 0.549341 Sb\n0.808940 0.221456 0.950659 Sb\n0.808941 0.278544 0.450659 Sb\n0.191059 0.778545 0.049341 Sb\n0.497895 0.791954 0.383109 Cl\n0.502104 0.291954 0.116891 Cl\n0.497895 0.708047 0.883109 Cl\n0.502104 0.208046 0.616891 Cl\n0.000000 0.500000 0.000000 O\n0.070891 0.506788 0.417634 O\n0.929108 0.006787 0.082365 O\n0.929108 0.493213 0.582365 O\n0.070891 0.993213 0.917634 O\n0.079554 0.833532 0.710358 O\n0.920445 0.333532 0.789642 O\n0.920445 0.166469 0.289642 O\n0.079554 0.666469 0.210358 O\n-0.000000 0.000000 0.500000 O\n",
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{
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"created_at": "2022-09-04T14:38:08.191065Z",
"updated_at": "2022-09-04T14:38:08.191080Z",
"structure_string": "V4 F16\n1.0\n5.429449 0.000000 0.029285\n0.000000 4.931900 0.000000\n-0.429656 0.000000 9.696871\nV F\n4 16\ndirect\n0.344887 0.954132 0.630995 V\n0.344887 0.545868 0.130995 V\n0.655112 0.454132 0.869005 V\n0.655113 0.045868 0.369005 V\n0.792712 0.335625 0.442175 F\n0.792712 0.164375 0.942175 F\n0.661401 0.638987 0.045808 F\n0.661401 0.861013 0.545808 F\n0.551615 0.242968 0.209448 F\n0.551614 0.257032 0.709448 F\n0.448385 0.742967 0.290552 F\n0.338599 0.138987 0.454193 F\n0.910525 0.623765 0.809092 F\n0.338598 0.361013 0.954193 F\n0.207287 0.835625 0.057826 F\n0.207287 0.664375 0.557826 F\n0.089474 0.376235 0.190908 F\n0.089474 0.123765 0.690908 F\n0.448385 0.757032 0.790552 F\n0.910526 0.876235 0.309092 F\n",
"nsites": 20,
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"elements": [
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],
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"volume": 259.7200140912493,
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},
{
"id": "jvasp-10021",
"created_at": "2022-09-04T14:38:08.354145Z",
"updated_at": "2022-09-04T14:38:08.354164Z",
"structure_string": "Li4 Y4 O8\n1.0\n0.000000 6.208310 -0.009107\n6.115214 0.000000 0.000000\n0.000000 -3.115456 -5.500105\nLi Y O\n4 4 8\ndirect\n0.298186 0.340135 0.075245 Li\n0.701814 0.840135 0.424755 Li\n0.701813 0.659864 0.924755 Li\n0.298185 0.159865 0.575245 Li\n0.230445 0.867611 0.973985 Y\n0.230446 0.632388 0.473985 Y\n0.769554 0.132388 0.026015 Y\n0.769554 0.367611 0.526015 Y\n0.451393 0.605571 0.261409 O\n0.982002 0.821283 0.144541 O\n0.548607 0.105571 0.238591 O\n0.548606 0.394428 0.738591 O\n0.017997 0.178716 0.855459 O\n0.017998 0.321284 0.355459 O\n0.982001 0.678716 0.644540 O\n0.451393 0.894428 0.761408 O\n",
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},
{
"id": "jvasp-46773",
"created_at": "2022-09-04T14:38:08.436064Z",
"updated_at": "2022-09-04T14:38:08.436092Z",
"structure_string": "Li4 Ni2 C4 O12\n1.0\n5.099380 -0.001468 0.001677\n-2.507786 5.464775 0.012254\n-0.002523 -0.018636 7.848949\nLi Ni C O\n4 2 4 12\ndirect\n0.691409 0.315479 0.057543 Li\n0.815031 0.193154 0.557555 Li\n0.191361 0.815458 0.442203 Li\n0.315004 0.693096 0.942235 Li\n0.503207 0.504317 0.499884 Ni\n0.003208 0.004306 -0.000116 Ni\n0.277568 0.126737 0.735135 C\n0.228857 0.381869 0.235133 C\n0.777561 0.626731 0.764625 C\n0.728824 0.881865 0.264621 C\n0.907641 0.655105 0.910132 O\n0.598733 0.853477 0.410128 O\n0.896149 0.598283 0.624518 O\n0.519628 0.615909 0.753311 O\n0.486796 0.392706 0.246448 O\n0.019629 0.115907 0.746455 O\n0.098785 0.353506 0.089622 O\n0.407656 0.155119 0.589626 O\n0.396154 0.098290 0.875243 O\n0.610241 0.910312 0.124513 O\n0.110249 0.410296 0.375238 O\n0.986772 0.892710 0.253303 O\n",
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"elements": [
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],
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"formula_full": "Li4 Ni2 C4 O12",
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}
]
}