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{
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"results": [
{
"id": "jvasp-43047",
"created_at": "2022-09-04T14:38:09.922341Z",
"updated_at": "2022-09-04T14:38:09.922361Z",
"structure_string": "Li5 Mn5 Ni2 O12\n1.0\n5.071262 0.125712 -0.080530\n2.326780 4.507725 0.080530\n-0.595247 0.950408 9.590300\nLi Mn Ni O\n5 5 2 12\ndirect\n0.175724 0.651652 0.508642 Li\n0.305976 0.866017 0.986085 Li\n0.651650 0.175725 0.991358 Li\n0.866015 0.305978 0.513915 Li\n0.921615 0.921617 0.750000 Li\n0.072914 0.072915 0.250000 Mn\n0.986832 0.526453 0.990983 Mn\n0.526452 0.986834 0.509017 Mn\n0.412723 0.412723 0.250000 Mn\n0.579842 0.579843 0.750000 Mn\n0.748614 0.748615 0.250000 Ni\n0.254239 0.254241 0.750000 Ni\n0.804198 0.022465 0.382853 O\n0.933387 0.255440 0.867374 O\n0.255439 0.933389 0.632626 O\n0.178525 0.323831 0.381801 O\n0.323830 0.178526 0.118199 O\n0.297207 0.552340 0.867827 O\n0.552339 0.297208 0.632173 O\n0.429002 0.718279 0.357475 O\n0.718278 0.429003 0.142525 O\n0.632911 0.849807 0.876237 O\n0.849805 0.632912 0.623763 O\n0.022465 0.804199 0.117147 O\n",
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{
"id": "jvasp-18698",
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"updated_at": "2022-09-04T14:35:48.237119Z",
"structure_string": "Dy1 Rh5\n1.0\n2.602347 -4.507397 0.000000\n2.602347 4.507397 -0.000000\n-0.000000 -0.000000 4.326780\nDy Rh\n1 5\ndirect\n0.000000 0.000000 0.000000 Dy\n0.500001 0.500001 0.500000 Rh\n0.666668 0.333333 0.000000 Rh\n0.333333 0.666668 0.000000 Rh\n0.500000 0.000000 0.500000 Rh\n0.000000 0.500000 0.500000 Rh\n",
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"formula_full": "Dy1 Rh5",
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"spacegroup": 191
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{
"id": "jvasp-90230",
"created_at": "2022-09-04T14:35:55.341805Z",
"updated_at": "2022-09-04T14:35:55.341822Z",
"structure_string": "Hf3 Sn3 Ir3\n1.0\n0.000000 0.000000 -3.708232\n-3.670150 -6.356887 0.000000\n-3.670061 6.356836 0.000000\nHf Sn Ir\n3 3 3\ndirect\n0.500000 0.605825 -0.000000 Hf\n0.500000 0.394158 0.394152 Hf\n0.500000 0.000005 0.605848 Hf\n0.000000 0.268231 -0.000000 Sn\n0.000000 0.731746 0.731753 Sn\n0.000000 -0.000007 0.268247 Sn\n0.000000 0.333314 0.666669 Ir\n0.000000 0.666645 0.333331 Ir\n0.500000 0.999984 -0.000000 Ir\n",
"nsites": 9,
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"elements": [
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"density": 14.090655982339882,
"density_atomic": 0.052014486882787814,
"volume": 173.02871833151164,
"volume_molar": 11.577814414608394,
"formula_full": "Hf3 Sn3 Ir3",
"formula_reduced": "HfSnIr",
"formula_anonymous": "ABC",
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"spacegroup": 189
},
{
"id": "jvasp-119746",
"created_at": "2022-09-04T14:38:36.997307Z",
"updated_at": "2022-09-04T14:38:36.997325Z",
"structure_string": "Na3 Li3 Mn2 P2 C2 O14\n1.0\n8.820120 0.352744 0.153901\n0.778939 6.603961 -0.168261\n-0.014373 -0.052038 5.124411\nNa Li Mn P C O\n3 3 2 2 2 14\ndirect\n0.090452 0.161957 0.691662 Na\n0.230715 0.545562 0.255413 Na\n0.759267 0.468004 0.740347 Na\n0.307125 0.088973 0.197089 Li\n0.703160 0.918681 0.796369 Li\n0.899342 0.851630 0.315473 Li\n0.361730 0.767539 0.787668 Mn\n0.650626 0.227267 0.212692 Mn\n0.578623 0.744895 0.292261 P\n0.429748 0.255123 0.709415 P\n0.025242 0.766304 0.781796 C\n0.964535 0.226334 0.216942 C\n0.876706 0.180152 0.410061 O\n0.679360 0.900659 0.190459 O\n0.654086 0.533437 0.188428 O\n0.575275 0.752326 0.597417 O\n0.599396 0.206270 0.796136 O\n0.409751 0.799036 0.200520 O\n0.104790 0.250249 0.262917 O\n0.349756 0.462719 0.822973 O\n0.337500 0.091676 0.811574 O\n0.138665 0.793979 0.623635 O\n0.044226 0.762759 0.029572 O\n0.906398 0.241137 -0.010372 O\n0.429266 0.253684 0.404208 O\n0.894264 0.749633 0.675340 O\n",
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"elements": [
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],
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"formula_full": "Na3 Li3 Mn2 P2 C2 O14",
"formula_reduced": "Na3Li3Mn2P2(CO7)2",
"formula_anonymous": "A2B2C2D3E3F14",
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{
"id": "jvasp-33884",
"created_at": "2022-09-04T14:38:07.407844Z",
"updated_at": "2022-09-04T14:38:07.407867Z",
"structure_string": "H2 C2\n1.0\n-0.039833 0.000000 2.467447\n-2.570631 2.816785 -0.033826\n-2.570631 -2.816785 -0.033826\nH C\n2 2\ndirect\n0.251697 0.223179 0.223179 H\n0.748301 0.776820 0.776820 H\n0.250368 0.436571 0.436571 C\n0.749630 0.563428 0.563428 C\n",
"nsites": 4,
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{
"id": "jvasp-120710",
"created_at": "2022-09-04T14:38:53.743251Z",
"updated_at": "2022-09-04T14:38:53.743278Z",
"structure_string": "Zr10 Ga6\n1.0\n8.131037 0.000000 0.000000\n-4.065518 7.041684 0.000000\n-0.000000 -0.000000 5.671515\nZr Ga\n10 6\ndirect\n0.666667 0.333333 -0.000000 Zr\n0.333333 0.666666 -0.000000 Zr\n0.333333 0.666666 0.500000 Zr\n0.666667 0.333333 0.500000 Zr\n0.758094 0.758094 0.749999 Zr\n0.241906 -0.000000 0.749999 Zr\n-0.000000 0.241905 0.749999 Zr\n0.241906 0.241905 0.250000 Zr\n0.758095 -0.000000 0.250000 Zr\n-0.000000 0.758094 0.250000 Zr\n0.390664 0.390664 0.749999 Ga\n0.609336 -0.000000 0.749999 Ga\n-0.000000 0.609335 0.749999 Ga\n0.609336 0.609335 0.250000 Ga\n0.390665 -0.000000 0.250000 Ga\n-0.000000 0.390664 0.250000 Ga\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Ga-Zr",
"density": 6.804056035815974,
"density_atomic": 0.04927180001565813,
"volume": 324.729358272183,
"volume_molar": 12.222286902622226,
"formula_full": "Zr10 Ga6",
"formula_reduced": "Zr5Ga3",
"formula_anonymous": "A3B5",
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"spacegroup": 193
},
{
"id": "jvasp-117238",
"created_at": "2022-09-04T14:38:43.969086Z",
"updated_at": "2022-09-04T14:38:43.969115Z",
"structure_string": "Ca9 Fe2 N8\n1.0\n8.894027 0.013172 3.264701\n1.355060 4.732055 0.000000\n-0.012030 0.003445 7.627374\nCa Fe N\n9 2 8\ndirect\n0.000000 0.499999 0.500000 Ca\n0.074431 0.962782 0.764999 Ca\n0.925570 0.037215 0.235000 Ca\n0.654012 0.672993 0.449121 Ca\n0.345989 0.327005 0.550878 Ca\n0.822526 0.588736 0.982794 Ca\n0.177475 0.411262 0.017205 Ca\n0.611811 0.194093 0.812565 Ca\n0.388190 0.805904 0.187434 Ca\n0.614178 0.192911 0.200934 Fe\n0.385823 0.807087 0.799065 Fe\n0.216853 0.891573 0.000699 N\n0.783148 0.108426 -0.000699 N\n0.362847 0.818575 0.583295 N\n0.637153 0.181423 0.416705 N\n0.572172 0.713913 0.812997 N\n0.427829 0.286084 0.187002 N\n0.074922 0.462538 0.755355 N\n0.925079 0.537460 0.244644 N\n",
"nsites": 19,
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],
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"formula_full": "Ca9 Fe2 N8",
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{
"id": "jvasp-94885",
"created_at": "2022-09-04T14:35:59.024560Z",
"updated_at": "2022-09-04T14:35:59.024579Z",
"structure_string": "Si1 Sb1 Pt5\n1.0\n3.955398 -0.000000 -0.000000\n-0.000000 3.955398 -0.000000\n0.000000 0.000000 7.682351\nSi Sb Pt\n1 1 5\ndirect\n0.500000 0.500000 0.000000 Si\n0.000000 0.000000 0.500000 Sb\n0.000000 0.000000 0.000000 Pt\n0.500000 0.000000 0.748537 Pt\n0.000000 0.500000 0.748537 Pt\n0.500000 0.000000 0.251463 Pt\n0.000000 0.500000 0.251463 Pt\n",
"nsites": 7,
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],
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"formula_full": "Si1 Sb1 Pt5",
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},
{
"id": "jvasp-39349",
"created_at": "2022-09-04T14:37:49.051415Z",
"updated_at": "2022-09-04T14:37:49.051442Z",
"structure_string": "Pa2 Sb1 Te1\n1.0\n-0.000000 3.733281 3.733281\n3.733281 -0.000000 3.733281\n3.733281 3.733281 -0.000000\nPa Sb Te\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Pa\n0.500000 0.500000 0.500000 Pa\n0.250001 0.250001 0.250001 Sb\n0.750000 0.750000 0.750000 Te\n",
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{
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"created_at": "2022-09-04T14:36:52.382523Z",
"updated_at": "2022-09-04T14:36:52.382551Z",
"structure_string": "Yb1 Al4 Mo2\n1.0\n4.650976 0.000000 2.600829\n2.325488 4.794701 1.300415\n-0.014672 0.000000 5.485246\nYb Al Mo\n1 4 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.304351 -0.000000 0.391299 Al\n0.695650 0.608701 0.000000 Al\n0.304351 0.391299 0.000000 Al\n0.695650 -0.000000 0.608701 Al\n0.250001 0.500000 0.500001 Mo\n0.750001 0.500000 0.500001 Mo\n",
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{
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"created_at": "2022-09-04T14:38:32.024282Z",
"updated_at": "2022-09-04T14:38:32.024309Z",
"structure_string": "Ba1 Cr2 As2\n1.0\n3.944590 -0.000000 -1.103544\n-0.308729 3.932490 -1.103544\n-0.129600 -0.140174 7.138436\nBa Cr As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.250000 0.750000 0.500001 Cr\n0.750000 0.250000 0.500001 Cr\n0.353317 0.353318 0.706635 As\n0.646683 0.646683 0.293367 As\n",
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{
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"structure_string": "C1 S1 O1\n1.0\n3.829129 2.978492 1.916588\n-1.957572 2.501633 2.412639\n-1.559048 -3.420773 1.333113\nC S O\n1 1 1\ndirect\n0.419457 0.249467 0.000569 C\n0.686304 0.982957 0.000582 S\n0.217795 0.450854 0.000558 O\n",
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"spacegroup": 160
}
]
}