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{
"id": "jvasp-117302",
"created_at": "2022-09-04T14:38:26.339510Z",
"updated_at": "2022-09-04T14:38:26.339535Z",
"structure_string": "Li4 Mn2 P4 O16\n1.0\n4.618818 0.029829 -1.140928\n-0.860385 7.215592 -3.493020\n0.021478 -0.041446 8.626390\nLi Mn P O\n4 2 4 16\ndirect\n0.117073 0.912924 0.684027 Li\n0.363188 0.589265 0.392446 Li\n0.636813 0.410734 0.607554 Li\n0.882930 0.087076 0.315974 Li\n0.274039 0.762647 0.035693 Mn\n0.725963 0.237353 0.964308 Mn\n0.864142 0.682383 0.237226 P\n0.685142 0.800481 0.805649 P\n0.135859 0.317617 0.762774 P\n0.314859 0.199518 0.194351 P\n0.379825 0.336845 0.387939 O\n0.979012 0.261393 0.568862 O\n0.996387 0.183078 0.819988 O\n0.530629 0.702265 0.211170 O\n0.448554 0.015926 0.177446 O\n0.449715 0.285755 0.095704 O\n0.620177 0.663154 0.612060 O\n0.020990 0.738607 0.431139 O\n0.551447 0.984074 0.822553 O\n0.469370 0.297734 0.788829 O\n0.003616 0.816922 0.180011 O\n0.914887 0.479637 0.121522 O\n0.085115 0.520361 0.878477 O\n0.025088 0.840716 0.876835 O\n0.550286 0.714244 0.904296 O\n0.974915 0.159283 0.123165 O\n",
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{
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"structure_string": "Zr1 Ti1\n1.0\n3.091707 0.000000 0.000000\n-1.545854 2.677497 0.000000\n-0.000000 -0.000000 4.880881\nZr Ti\n1 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.333335 0.666668 0.500000 Ti\n",
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{
"id": "jvasp-111494",
"created_at": "2022-09-04T14:38:40.315329Z",
"updated_at": "2022-09-04T14:38:40.315359Z",
"structure_string": "Sm4 V2 Fe2 O12\n1.0\n5.557677 0.000000 0.000000\n0.000000 4.369053 3.013619\n0.000000 0.026074 9.229863\nSm V Fe O\n4 2 2 12\ndirect\n0.560291 0.734634 0.750295 Sm\n0.060290 0.265364 0.749705 Sm\n0.439710 0.265364 0.249705 Sm\n0.939710 0.734635 0.250295 Sm\n0.000000 -0.000000 0.500000 V\n0.500000 0.000000 0.000000 V\n0.000000 0.500000 0.000000 Fe\n0.500000 0.499999 0.500000 Fe\n0.478921 0.164757 0.749348 O\n0.978921 0.835241 0.750652 O\n0.295125 0.344617 0.955189 O\n0.795125 0.655381 0.544811 O\n0.704325 0.245900 0.455316 O\n0.295675 0.754099 0.544684 O\n0.704876 0.655381 0.044811 O\n0.204875 0.344618 0.455189 O\n0.021079 0.164757 0.249348 O\n0.795676 0.245899 0.955316 O\n0.204325 0.754099 0.044684 O\n0.521079 0.835242 0.250652 O\n",
"nsites": 20,
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"formula_full": "Sm4 V2 Fe2 O12",
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"spacegroup": 14
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{
"id": "jvasp-78388",
"created_at": "2022-09-04T14:37:52.606704Z",
"updated_at": "2022-09-04T14:37:52.606723Z",
"structure_string": "Br1 N1\n1.0\n-2.453743 -2.453743 -0.000000\n-2.453743 0.000000 -2.453743\n0.000000 -2.453743 -2.453743\nBr N\n1 1\ndirect\n0.499999 0.499999 0.499999 Br\n0.000000 0.000000 0.000000 N\n",
"nsites": 2,
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{
"id": "jvasp-111637",
"created_at": "2022-09-04T14:38:37.380852Z",
"updated_at": "2022-09-04T14:38:37.380869Z",
"structure_string": "Ho6 Ta2 O14\n1.0\n8.095624 -0.004303 0.000000\n-4.697265 6.593547 -0.000000\n-0.000000 -0.000000 5.328008\nHo Ta O\n6 2 14\ndirect\n-0.000000 0.500000 0.000000 Ho\n0.500000 0.000000 0.000000 Ho\n0.620175 0.379825 0.472758 Ho\n0.120175 0.879826 0.527242 Ho\n0.879825 0.120175 0.472758 Ho\n0.379825 0.620175 0.527242 Ho\n0.750000 0.750001 0.000000 Ta\n0.250000 0.250000 0.000000 Ta\n0.597890 0.838302 0.236678 O\n0.902110 0.661699 0.236678 O\n0.661698 0.902111 0.763322 O\n0.487330 0.512671 0.787225 O\n0.512670 0.487330 0.212775 O\n0.338302 0.097890 0.236678 O\n0.250000 0.750000 0.756464 O\n0.402110 0.161699 0.763322 O\n0.987330 0.012671 0.212775 O\n0.012670 0.987330 0.787225 O\n0.838301 0.597891 0.763322 O\n0.750000 0.250000 0.243537 O\n0.097890 0.338302 0.763322 O\n0.161698 0.402110 0.236678 O\n",
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{
"id": "jvasp-48209",
"created_at": "2022-09-04T14:37:51.577212Z",
"updated_at": "2022-09-04T14:37:51.577231Z",
"structure_string": "Li2 V1 P2 O8\n1.0\n4.866149 -0.011679 0.005641\n-2.423000 4.220095 0.002986\n-0.009814 -0.009551 7.054139\nLi V P O\n2 1 2 8\ndirect\n0.333190 0.666719 0.705156 Li\n0.666764 0.333280 0.294844 Li\n-0.000023 0.000001 0.000001 V\n0.333371 0.666634 0.238441 P\n0.666583 0.333364 0.761563 P\n0.048425 0.697874 0.158253 O\n0.333319 0.666635 0.448551 O\n0.302133 0.350457 0.158323 O\n0.649558 0.951580 0.158337 O\n0.350397 0.048418 0.841660 O\n0.697820 0.649542 0.841675 O\n0.666636 0.333365 0.551454 O\n0.951530 0.302126 0.841744 O\n",
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"density_atomic": 0.08986468813269986,
"volume": 144.66193863382,
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"formula_full": "Li2 V1 P2 O8",
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"formula_anonymous": "AB2C2D8",
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{
"id": "jvasp-8471",
"created_at": "2022-09-04T14:37:03.123958Z",
"updated_at": "2022-09-04T14:37:03.123986Z",
"structure_string": "U1 Ge2 Rh2\n1.0\n3.827324 -0.000000 -1.498743\n-0.586894 3.782058 -1.498743\n0.131298 0.153244 5.971562\nU Ge Rh\n1 2 2\ndirect\n0.000000 0.000000 0.000000 U\n0.618632 0.618632 0.237266 Ge\n0.381368 0.381367 0.762735 Ge\n0.750000 0.250000 0.500000 Rh\n0.250001 0.750000 0.500000 Rh\n",
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},
{
"id": "jvasp-44634",
"created_at": "2022-09-04T14:38:16.773926Z",
"updated_at": "2022-09-04T14:38:16.773950Z",
"structure_string": "Li4 V1 Fe3 O8\n1.0\n-5.043156 0.010679 0.012088\n0.011880 -5.531707 0.022585\n0.022670 0.061460 6.402490\nLi V Fe O\n4 1 3 8\ndirect\n0.991442 0.083309 0.618951 Li\n0.501184 0.424751 0.127714 Li\n0.993656 0.573853 0.875127 Li\n0.499547 0.909377 0.376863 Li\n0.501620 0.919278 0.876133 V\n0.989602 0.085544 0.129321 Fe\n0.503622 0.420257 0.622101 Fe\n-0.004722 0.580923 0.374630 Fe\n0.377921 0.071438 0.104217 O\n0.392430 0.079982 0.651016 O\n0.885184 0.415046 0.124047 O\n0.883141 0.416143 0.623688 O\n0.377759 0.576758 0.378152 O\n0.393417 0.612299 0.869567 O\n0.885137 0.913123 0.371598 O\n0.855469 0.917921 0.876885 O\n",
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"formula_full": "Li4 V1 Fe3 O8",
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{
"id": "jvasp-75719",
"created_at": "2022-09-04T14:36:10.470715Z",
"updated_at": "2022-09-04T14:36:10.470737Z",
"structure_string": "Tc1 As1 Cl1\n1.0\n0.000000 3.134174 3.134174\n3.134174 0.000000 3.134174\n3.134174 3.134174 -0.000000\nTc As Cl\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Tc\n0.499999 0.499999 0.499999 As\n0.749999 0.749999 0.749999 Cl\n",
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{
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"created_at": "2022-09-04T14:38:51.034793Z",
"updated_at": "2022-09-04T14:38:51.034820Z",
"structure_string": "Zr1 Ti1\n1.0\n1.545276 -2.676495 -0.000000\n1.545276 2.676495 -0.000000\n0.000000 -0.000000 4.883634\nZr Ti\n1 1\ndirect\n0.333335 0.666668 0.749999 Zr\n0.666668 0.333335 0.250000 Ti\n",
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{
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"created_at": "2022-09-04T14:38:36.115392Z",
"updated_at": "2022-09-04T14:38:36.115406Z",
"structure_string": "Li4 Os2 O12\n1.0\n6.381042 0.032224 1.525835\n0.033732 6.381034 1.525835\n0.003289 0.003288 5.140335\nLi Os O\n4 2 12\ndirect\n-0.000000 0.500000 0.500001 Li\n0.500000 -0.000000 0.000001 Li\n0.459432 0.540567 0.250001 Li\n0.540568 0.459432 0.750002 Li\n0.802208 0.197791 0.250001 Os\n0.197792 0.802208 0.750002 Os\n0.474298 0.730210 0.878918 O\n0.269790 0.525701 0.621085 O\n0.789119 0.943218 0.204645 O\n0.056781 0.210880 0.295358 O\n0.210880 0.056781 0.795359 O\n0.850964 0.356484 0.898769 O\n0.643515 0.149035 0.601235 O\n0.730210 0.474298 0.378918 O\n0.356484 0.850964 0.398769 O\n0.149035 0.643515 0.101234 O\n0.943219 0.789119 0.704645 O\n0.525702 0.269789 0.121085 O\n",
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{
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}
]
}