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{
"id": "jvasp-78392",
"created_at": "2022-09-04T14:38:01.966310Z",
"updated_at": "2022-09-04T14:38:01.966347Z",
"structure_string": "N1 Cl1\n1.0\n3.174349 0.000000 0.000000\n-0.000000 3.174349 -0.000000\n0.000000 -0.000000 3.174349\nN Cl\n1 1\ndirect\n0.000000 0.000000 0.000000 N\n0.500000 0.500000 0.500000 Cl\n",
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{
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"structure_string": "Pu2 Ni2\n1.0\n2.794790 0.000000 -0.982694\n0.000000 3.451842 0.000000\n0.595863 -0.000000 6.160196\nPu Ni\n2 2\ndirect\n0.199497 0.749999 0.398995 Pu\n0.800502 0.250000 0.601006 Pu\n0.436096 0.749999 0.872196 Ni\n0.563903 0.250000 0.127805 Ni\n",
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{
"id": "jvasp-70034",
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"updated_at": "2022-09-04T14:36:11.339803Z",
"structure_string": "Be2 Si1 Mo1\n1.0\n-1.701069 1.701069 3.903426\n1.701069 -1.701069 3.903426\n1.701069 1.701069 -3.903426\nBe Si Mo\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.750001 0.500000 Be\n0.750001 0.250000 0.500000 Si\n0.500000 0.500000 0.000000 Mo\n",
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{
"id": "jvasp-71680",
"created_at": "2022-09-04T14:36:00.346009Z",
"updated_at": "2022-09-04T14:36:00.346027Z",
"structure_string": "Ta1 Be2 Sb1\n1.0\n2.893546 0.000000 -0.000000\n-0.000000 2.893546 0.000000\n-0.000000 -0.000000 8.085577\nTa Be Sb\n1 2 1\ndirect\n0.500001 0.500001 0.500000 Ta\n0.000000 0.000000 0.704118 Be\n0.000000 0.000000 0.295883 Be\n0.500001 0.500001 0.000000 Sb\n",
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"volume": 67.69737034660591,
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},
{
"id": "jvasp-55158",
"created_at": "2022-09-04T14:38:30.492931Z",
"updated_at": "2022-09-04T14:38:30.492950Z",
"structure_string": "Zr3 Cu1\n1.0\n4.307997 0.000000 0.000000\n0.000000 4.307997 0.000000\n-0.000000 0.000000 4.309166\nZr Cu\n3 1\ndirect\n0.000000 0.500000 0.500000 Zr\n0.500000 0.000000 0.500000 Zr\n0.500000 0.500000 0.000000 Zr\n0.000000 0.000000 0.000000 Cu\n",
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"elements": [
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"volume": 79.97311436414003,
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"formula_full": "Zr3 Cu1",
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},
{
"id": "jvasp-43954",
"created_at": "2022-09-04T14:37:30.054222Z",
"updated_at": "2022-09-04T14:37:30.054246Z",
"structure_string": "Li4 Mn2 Fe2 B4 O12\n1.0\n5.184924 0.001166 0.050898\n-2.582740 4.482678 0.069462\n-0.078738 -0.065244 10.119584\nLi Mn Fe B O\n4 2 2 4 12\ndirect\n0.685567 0.664483 0.662657 Li\n0.631696 0.650824 0.167990 Li\n0.374215 0.359988 0.416110 Li\n0.322308 0.332168 0.919489 Li\n0.650494 -0.008935 0.884247 Mn\n0.014177 0.341822 0.632457 Mn\n0.296522 -0.031159 0.146995 Fe\n0.039430 0.700955 0.365857 Fe\n0.347884 0.010933 0.621893 B\n-0.010858 0.658208 0.880334 B\n0.972790 0.309422 0.128706 B\n0.700313 0.028436 0.374759 B\n0.232023 0.923527 0.920685 O\n0.964198 0.282544 0.407019 O\n0.713994 0.041894 0.102421 O\n0.947299 0.558582 0.157659 O\n0.447902 0.055123 0.351878 O\n0.714150 0.634281 0.863667 O\n0.681321 0.754261 0.361304 O\n0.377356 0.290640 0.610446 O\n0.248221 0.329298 0.123031 O\n0.587866 0.979318 0.661735 O\n0.024690 0.413704 0.851182 O\n0.077041 0.760305 0.591276 O\n",
"nsites": 24,
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"formula_full": "Li4 Mn2 Fe2 B4 O12",
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{
"id": "jvasp-61544",
"created_at": "2022-09-04T14:36:11.300865Z",
"updated_at": "2022-09-04T14:36:11.300888Z",
"structure_string": "Zr6 Al16 Pt7\n1.0\n0.000000 6.218559 6.218559\n6.218559 -0.000000 6.218559\n6.218559 6.218559 0.000000\nZr Al Pt\n6 16 7\ndirect\n0.685396 0.314604 0.685396 Zr\n0.685396 0.314604 0.314604 Zr\n0.314604 0.685396 0.685396 Zr\n0.314604 0.314604 0.685396 Zr\n0.685396 0.685396 0.314604 Zr\n0.314604 0.685396 0.314604 Zr\n0.005747 0.664751 0.664751 Al\n0.664751 0.005747 0.664751 Al\n0.664751 0.664751 0.664751 Al\n0.994254 0.335249 0.335249 Al\n0.120062 0.639813 0.120062 Al\n0.335249 0.335249 0.335249 Al\n0.120062 0.120062 0.120062 Al\n0.120062 0.120062 0.639813 Al\n0.639813 0.120062 0.120062 Al\n0.879938 0.879938 0.879938 Al\n0.335249 0.335249 0.994254 Al\n0.664751 0.664751 0.005747 Al\n0.879938 0.360187 0.879938 Al\n0.879938 0.879938 0.360187 Al\n0.360187 0.879938 0.879938 Al\n0.335249 0.994254 0.335249 Al\n0.000000 0.000000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n0.500000 0.000000 0.000000 Pt\n0.000000 0.500000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n0.000000 0.500000 0.500000 Pt\n",
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"volume": 480.9492735818865,
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"formula_full": "Zr6 Al16 Pt7",
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{
"id": "jvasp-42335",
"created_at": "2022-09-04T14:36:13.031293Z",
"updated_at": "2022-09-04T14:36:13.031319Z",
"structure_string": "Li4 Mn2 Fe2 B4 O12\n1.0\n5.162624 0.015872 0.105455\n2.549811 4.512348 -0.040086\n2.349455 1.413302 10.313140\nLi Mn Fe B O\n4 2 2 4 12\ndirect\n0.346944 0.579669 0.848982 Li\n0.078791 0.984784 0.664620 Li\n0.921208 0.015215 0.335380 Li\n0.653054 0.420330 0.151018 Li\n0.759885 0.655070 0.617961 Mn\n0.240114 0.344929 0.382039 Mn\n0.661786 0.914072 0.896542 Fe\n0.338212 0.085927 0.103458 Fe\n0.574018 0.686539 0.365868 B\n0.998757 0.750576 0.122608 B\n0.001242 0.249423 0.877392 B\n0.425980 0.313460 0.634132 B\n0.750776 0.744295 0.094538 O\n0.740508 0.516011 0.861648 O\n0.249222 0.255705 0.905462 O\n0.024945 0.983054 0.858627 O\n0.685596 0.051869 0.657633 O\n0.391127 0.584991 0.652492 O\n0.193753 0.299346 0.594326 O\n0.806245 0.700654 0.405674 O\n0.608872 0.415008 0.347508 O\n0.314402 0.948130 0.342367 O\n0.975053 0.016945 0.141373 O\n0.259491 0.483989 0.138352 O\n",
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},
{
"id": "jvasp-119685",
"created_at": "2022-09-04T14:38:36.794301Z",
"updated_at": "2022-09-04T14:38:36.794334Z",
"structure_string": "Sr6 Y4 N8\n1.0\n7.643741 0.032064 -0.172939\n-7.274635 7.602826 -0.000001\n-0.039065 -0.037379 6.457171\nSr Y N\n6 4 8\ndirect\n0.222161 0.919956 0.077929 Sr\n0.777838 0.697794 0.422071 Sr\n0.777837 0.080044 0.922071 Sr\n0.222161 0.302206 0.577929 Sr\n-0.000001 0.588148 0.750000 Sr\n-0.000000 0.411852 0.250000 Sr\n0.525373 0.369082 0.091526 Y\n0.474626 0.843709 0.408474 Y\n0.525372 0.156290 0.591526 Y\n0.474626 0.630918 0.908473 Y\n0.379317 0.769943 0.063484 N\n0.213750 0.867665 0.498750 N\n0.786249 0.653913 0.001250 N\n0.786249 0.132335 0.501250 N\n0.213750 0.346087 0.998750 N\n0.620681 0.230057 0.936516 N\n0.379317 0.609375 0.563484 N\n0.620682 0.390625 0.436516 N\n",
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{
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"created_at": "2022-09-04T14:38:52.464187Z",
"updated_at": "2022-09-04T14:38:52.464214Z",
"structure_string": "Li2 Mn2 C2 S2 O14\n1.0\n6.748492 0.000000 0.000000\n0.000000 4.968647 0.371817\n0.000000 -0.048168 8.305137\nLi Mn C S O\n2 2 2 2 14\ndirect\n0.477584 0.798132 0.810994 Li\n0.977584 0.201868 0.189006 Li\n0.250904 0.229997 0.659383 Mn\n0.750904 0.770003 0.340617 Mn\n0.249906 0.299867 0.939010 C\n0.749906 0.700133 0.060990 C\n0.756664 0.253775 0.589555 S\n0.256664 0.746225 0.410445 S\n0.777144 0.508719 0.179331 O\n0.435128 0.794203 0.314593 O\n0.081107 0.841337 0.319937 O\n0.770142 0.122094 0.433124 O\n0.233861 0.449251 0.456457 O\n0.733861 0.550749 0.543544 O\n0.277144 0.491281 0.820669 O\n0.581107 0.158663 0.680063 O\n0.935128 0.205797 0.685408 O\n0.760736 0.939392 0.122523 O\n0.260736 0.060608 0.877478 O\n0.708976 0.660924 0.920386 O\n0.270142 0.877906 0.566877 O\n0.208976 0.339076 0.079615 O\n",
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{
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"structure_string": "Li2 Ti1 V3 O8\n1.0\n5.905459 0.042153 0.029807\n2.989236 5.093202 0.029807\n2.989236 1.725836 4.791981\nLi Ti V O\n2 1 3 8\ndirect\n0.125842 0.125842 0.125842 Li\n0.874159 0.874157 0.874159 Li\n0.500001 0.500000 0.500000 Ti\n0.000000 0.500000 0.500000 V\n0.500000 0.000000 0.500000 V\n0.500000 0.499999 0.000001 V\n0.260900 0.260900 0.260900 O\n0.260883 0.260883 0.718848 O\n0.260883 0.718847 0.260883 O\n0.718848 0.260882 0.260883 O\n0.281153 0.739118 0.739118 O\n0.739118 0.281152 0.739118 O\n0.739119 0.739117 0.281153 O\n0.739101 0.739100 0.739101 O\n",
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{
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"updated_at": "2022-09-04T14:38:00.741246Z",
"structure_string": "Y1 Mn4 Al8\n1.0\n4.589385 0.000000 1.864333\n2.294693 6.218374 0.932166\n-0.045648 -0.000000 6.693328\nY Mn Al\n1 4 8\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.000000 0.500000 Mn\n-0.000000 0.500000 0.000000 Mn\n0.500000 0.500000 -0.000000 Mn\n-0.000000 0.000000 0.500000 Mn\n0.340795 0.659205 0.659206 Al\n-0.000000 0.340795 0.659206 Al\n-0.000000 0.659205 0.340796 Al\n0.659206 0.340795 0.340795 Al\n0.281091 0.218909 0.218910 Al\n0.500000 0.781090 0.218910 Al\n0.500000 0.218909 0.781091 Al\n0.718910 0.781090 0.781091 Al\n",
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}
]
}