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{
"id": "jvasp-111769",
"created_at": "2022-09-04T14:38:52.874235Z",
"updated_at": "2022-09-04T14:38:52.874254Z",
"structure_string": "Ti2 Al2 Fe2 O10\n1.0\n5.078919 0.030070 0.000000\n-3.757430 3.417316 -0.000000\n0.000000 0.000000 9.598059\nTi Al Fe O\n2 2 2 10\ndirect\n0.125774 0.874228 0.059995 Ti\n0.874227 0.125774 0.559995 Ti\n0.803133 0.196868 0.253027 Al\n0.196868 0.803133 0.753027 Al\n0.856837 0.143163 0.937538 Fe\n0.143164 0.856838 0.437538 Fe\n0.687546 0.312455 0.422918 O\n0.316838 0.683164 0.577907 O\n0.683163 0.316838 0.077907 O\n0.312455 0.687546 0.922918 O\n0.952162 0.047838 0.379618 O\n0.058229 0.941773 0.617136 O\n0.941772 0.058229 0.117136 O\n0.047839 0.952163 0.879618 O\n0.247948 0.752053 0.251860 O\n0.752053 0.247948 0.751860 O\n",
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"structure_string": "Ni4 P4 O14\n1.0\n0.000000 4.477799 -0.006494\n9.917004 0.000000 0.000000\n0.000000 -0.671980 -5.190748\nNi P O\n4 4 14\ndirect\n0.098351 0.343122 0.420123 Ni\n0.901650 0.656877 0.579877 Ni\n0.901650 0.843122 0.079877 Ni\n0.098351 0.156878 0.920123 Ni\n0.643742 0.387940 0.842726 P\n0.356259 0.887940 0.657274 P\n0.643742 0.112060 0.342725 P\n0.356259 0.612060 0.157274 P\n0.500000 0.500000 -0.000000 O\n0.785527 0.457648 0.624782 O\n0.114830 0.821857 0.462326 O\n0.500000 0.000000 0.500000 O\n0.885171 0.178143 0.537673 O\n0.384227 0.206424 0.239745 O\n0.214474 0.542351 0.375218 O\n0.114830 0.678143 0.962326 O\n0.214474 0.957648 0.875218 O\n0.785527 0.042352 0.124781 O\n0.615773 0.706424 0.260254 O\n0.885171 0.321857 0.037673 O\n0.615773 0.793576 0.760255 O\n0.384227 0.293576 0.739745 O\n",
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{
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"created_at": "2022-09-04T14:38:50.240498Z",
"updated_at": "2022-09-04T14:38:50.240507Z",
"structure_string": "Li4 Mn2 P2 C2 O14\n1.0\n4.905683 -0.204918 -0.494624\n-0.307074 6.064731 -0.620597\n-0.285295 -0.712353 8.577930\nLi Mn P C O\n4 2 2 2 14\ndirect\n0.580798 0.972943 0.220265 Li\n0.718370 0.520034 0.233866 Li\n0.278645 0.535768 0.811806 Li\n0.645024 0.125833 0.888785 Li\n0.168996 0.230592 0.341076 Mn\n0.855155 0.785763 0.663734 Mn\n0.281333 0.751293 0.423497 P\n0.735881 0.263288 0.576602 P\n0.220402 0.251752 0.040874 C\n0.822679 0.741158 0.967404 C\n0.642667 0.769131 0.838328 O\n0.927928 0.479545 0.655057 O\n0.783189 0.093882 0.689591 O\n0.195969 0.842139 0.586922 O\n0.435625 0.310607 0.556765 O\n0.585109 0.706473 0.437012 O\n0.714969 0.729963 0.093126 O\n0.092541 0.533622 0.340459 O\n0.241515 0.924280 0.311269 O\n0.403273 0.256622 0.175144 O\n0.321764 0.275590 0.916221 O\n-0.033784 0.222286 0.054963 O\n0.819836 0.166343 0.410662 O\n0.071768 0.734906 0.950348 O\n",
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{
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"created_at": "2022-09-04T14:37:28.700919Z",
"updated_at": "2022-09-04T14:37:28.700936Z",
"structure_string": "Zn2 Cu4 O8\n1.0\n5.917433 0.007864 0.014413\n2.965527 5.120714 0.014413\n2.972754 1.716320 4.854487\nZn Cu O\n2 4 8\ndirect\n0.125000 0.624999 0.625000 Zn\n0.625000 0.124999 0.625000 Zn\n0.992289 0.992287 0.007711 Cu\n0.257712 0.257712 0.242288 Cu\n0.625001 0.624999 0.124999 Cu\n0.625000 0.624999 0.625000 Cu\n0.394944 0.394943 0.367137 O\n0.393452 0.859575 0.373486 O\n0.394944 0.394943 0.842976 O\n0.859576 0.393450 0.373486 O\n0.390425 0.856548 0.876513 O\n0.856549 0.390424 0.876513 O\n0.855057 0.855055 0.407023 O\n0.855057 0.855055 0.882862 O\n",
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{
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"created_at": "2022-09-04T14:35:46.269571Z",
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"structure_string": "Li4 V4 F16\n1.0\n0.000000 4.513166 -0.000192\n11.490174 0.000000 0.000000\n0.000000 -0.000235 -4.849209\nLi V F\n4 4 16\ndirect\n0.000001 0.947110 0.500000 Li\n0.000000 0.052889 0.000000 Li\n0.500001 0.447110 0.500000 Li\n0.500000 0.552892 -0.000000 Li\n0.000001 0.678972 0.500000 V\n0.000000 0.321028 0.000000 V\n0.500001 0.178970 0.500000 V\n0.500000 0.821030 -0.000000 V\n0.751254 0.066655 0.332160 F\n0.751255 0.933345 0.832159 F\n0.748743 0.433345 0.832162 F\n0.748744 0.566655 0.332160 F\n0.735980 0.692840 0.826583 F\n0.735980 0.307159 0.326584 F\n0.264022 0.307159 0.673416 F\n0.248748 0.066655 0.667840 F\n0.251258 0.566655 0.667840 F\n0.251259 0.433345 0.167838 F\n0.764026 0.807163 0.326587 F\n0.248747 0.933345 0.167840 F\n0.235977 0.192836 0.173413 F\n0.235976 0.807163 0.673413 F\n0.264022 0.692840 0.173417 F\n0.764025 0.192836 0.826587 F\n",
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},
{
"id": "jvasp-95157",
"created_at": "2022-09-04T14:36:17.359305Z",
"updated_at": "2022-09-04T14:36:17.359326Z",
"structure_string": "Sr1 Cu3 Ru4 O12\n1.0\n6.110276 0.000000 -2.160355\n-3.055151 5.291691 -2.160392\n-0.000009 -0.000062 6.481040\nSr Cu Ru O\n1 3 4 12\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.000000 0.500000 Cu\n0.500000 0.500000 -0.000000 Cu\n0.000000 0.500000 0.500000 Cu\n0.000001 0.000000 0.500000 Ru\n0.499999 -0.000000 -0.000000 Ru\n0.500000 0.499999 0.500000 Ru\n0.000001 0.500001 0.000000 Ru\n0.690370 0.175829 0.866196 O\n0.485446 0.309626 0.175818 O\n0.866193 0.690370 0.175820 O\n0.175829 0.485459 0.309637 O\n0.175829 0.866194 0.690367 O\n0.824172 0.133807 0.309634 O\n0.309629 0.175825 0.485458 O\n0.309631 0.824171 0.133804 O\n0.824172 0.514541 0.690364 O\n0.690371 0.824175 0.514542 O\n0.133808 0.309630 0.824180 O\n0.514554 0.690374 0.824180 O\n",
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],
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"formula_full": "Sr1 Cu3 Ru4 O12",
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{
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"created_at": "2022-09-04T14:38:05.999185Z",
"updated_at": "2022-09-04T14:38:05.999207Z",
"structure_string": "Mo1 C1\n1.0\n1.461549 -2.531476 -0.000000\n1.461549 2.531476 -0.000000\n0.000000 0.000000 2.831576\nMo C\n1 1\ndirect\n0.000000 0.000000 0.000000 Mo\n0.333333 0.666668 0.500001 C\n",
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},
{
"id": "jvasp-92373",
"created_at": "2022-09-04T14:36:13.185813Z",
"updated_at": "2022-09-04T14:36:13.185839Z",
"structure_string": "Mn4 N1\n1.0\n3.741625 -0.000000 -0.000000\n0.000000 3.741625 -0.000000\n-0.000000 -0.000000 3.741625\nMn N\n4 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500001 0.500001 0.000000 Mn\n0.500001 0.000000 0.500001 Mn\n0.000000 0.500001 0.500001 Mn\n0.500001 0.500001 0.500001 N\n",
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},
{
"id": "jvasp-116795",
"created_at": "2022-09-04T14:38:44.830250Z",
"updated_at": "2022-09-04T14:38:44.830266Z",
"structure_string": "Mn2 V2 H8 O4 F10\n1.0\n5.839789 0.002587 -2.857501\n-1.918849 6.272081 3.469942\n0.008851 -0.016844 7.424268\nMn V H O F\n2 2 8 4 10\ndirect\n-0.000000 -0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n-0.000000 0.500000 0.000000 V\n0.000000 0.000000 0.500000 V\n0.477844 0.195446 0.989415 H\n0.792631 0.304040 0.510615 H\n0.522022 0.010609 0.804036 H\n0.207011 0.489413 0.695440 H\n0.522157 0.804555 0.010585 H\n0.207369 0.695961 0.489385 H\n0.477978 0.989392 0.195964 H\n0.792989 0.510588 0.304559 H\n0.267014 0.570332 0.570178 O\n0.626503 0.929809 0.929658 O\n0.373498 0.070192 0.070342 O\n0.732986 0.429669 0.429821 O\n0.079159 0.337633 0.910495 F\n0.930447 0.250030 0.249970 F\n0.069553 0.749971 0.750030 F\n0.079389 0.911131 0.337427 F\n0.331029 0.589499 0.162373 F\n0.920841 0.662368 0.089505 F\n0.669169 0.837426 0.411127 F\n0.920610 0.088870 0.662573 F\n0.668971 0.410502 0.837626 F\n0.330831 0.162575 0.588873 F\n",
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{
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"updated_at": "2022-09-04T14:37:27.011907Z",
"structure_string": "Li4 V2 Si1 Ge1 O10\n1.0\n6.470329 0.000000 0.000000\n0.000000 6.470329 -0.000000\n0.000000 -0.000000 4.503731\nLi V Si Ge O\n4 2 1 1 10\ndirect\n0.755521 0.755521 0.000000 Li\n0.755521 0.244479 0.000000 Li\n0.244479 0.755521 0.000000 Li\n0.244479 0.244479 0.000000 Li\n0.000000 0.500000 0.592392 V\n0.500000 0.000000 0.407608 V\n0.000000 0.000000 0.500000 Si\n0.500000 0.500000 0.500000 Ge\n0.500000 0.283662 0.258640 O\n0.500000 0.716338 0.258640 O\n0.283662 0.500000 0.741360 O\n0.204971 0.000000 0.281582 O\n0.795029 0.000000 0.281582 O\n0.000000 0.204971 0.718418 O\n0.000000 0.500000 0.223904 O\n0.500000 0.000000 0.776096 O\n0.000000 0.795029 0.718418 O\n0.716338 0.500000 0.741360 O\n",
"nsites": 18,
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],
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"density_atomic": 0.09546569400956006,
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"formula_full": "Li4 V2 Si1 Ge1 O10",
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},
{
"id": "jvasp-120598",
"created_at": "2022-09-04T14:38:52.959753Z",
"updated_at": "2022-09-04T14:38:52.959778Z",
"structure_string": "Li4 Mn1 Fe3 P4 O16\n1.0\n6.020321 -0.000000 0.000000\n0.000000 4.711420 0.009286\n-0.000000 -0.002033 10.338697\nLi Mn Fe P O\n4 1 3 4 16\ndirect\n0.249682 0.002174 0.002387 Li\n0.750317 0.002174 0.002387 Li\n0.249031 0.498288 0.498309 Li\n0.750969 0.498288 0.498309 Li\n0.500000 0.977703 0.718533 Mn\n-0.000000 0.473121 0.782223 Fe\n-0.000000 0.024887 0.280655 Fe\n0.500000 0.527662 0.219206 Fe\n-0.000000 0.581664 0.094076 P\n0.500000 0.081563 0.403985 P\n-0.000000 0.912855 0.592431 P\n0.500000 0.423313 0.909566 P\n0.205038 0.716061 0.165653 O\n0.794962 0.716061 0.165653 O\n0.705378 0.215518 0.332580 O\n0.294622 0.215518 0.332580 O\n0.500000 0.756090 0.404210 O\n-0.000000 0.789156 0.452822 O\n0.500000 0.211229 0.542115 O\n0.500000 0.748424 0.908816 O\n0.204199 0.775025 0.662811 O\n0.795801 0.775025 0.662811 O\n0.705004 0.290592 0.837460 O\n0.294996 0.290592 0.837460 O\n-0.000000 0.256090 0.094812 O\n-0.000000 0.711002 0.955565 O\n-0.000000 0.238430 0.595149 O\n0.500000 0.291504 0.047450 O\n",
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"volume": 293.2496113410577,
"volume_molar": 6.307108704682649,
"formula_full": "Li4 Mn1 Fe3 P4 O16",
"formula_reduced": "Li4MnFe3(PO4)4",
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},
{
"id": "jvasp-52144",
"created_at": "2022-09-04T14:37:19.931917Z",
"updated_at": "2022-09-04T14:37:19.931946Z",
"structure_string": "Fe4 Cu2 O8\n1.0\n6.000428 0.148560 -0.179773\n3.128871 5.122242 -0.179773\n2.896316 1.672189 4.729663\nFe Cu O\n4 2 8\ndirect\n0.010119 0.010119 0.989881 Fe\n0.239882 0.239881 0.260119 Fe\n0.125000 0.625000 0.625000 Fe\n0.625001 0.125000 0.625000 Fe\n0.625000 0.624999 0.125001 Cu\n0.625001 0.625000 0.625000 Cu\n0.358724 0.358724 0.405171 O\n0.376874 0.848078 0.387524 O\n0.358724 0.358724 0.877382 O\n0.848079 0.376873 0.387524 O\n0.401923 0.873126 0.862476 O\n0.873127 0.401922 0.862476 O\n0.891277 0.891276 0.372618 O\n0.891277 0.891276 0.844829 O\n",
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"formula_anonymous": "AB2C4",
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}
]
}