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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=1149",
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{
"id": "jvasp-4216",
"created_at": "2022-09-04T14:36:12.655570Z",
"updated_at": "2022-09-04T14:36:12.655588Z",
"structure_string": "Si6 As6\n1.0\n3.723505 0.000000 -0.000000\n-1.861753 7.779609 -2.201287\n-0.000000 0.027090 9.645168\nSi As\n6 6\ndirect\n0.130997 0.261993 0.416119 Si\n0.869003 0.738007 0.583881 Si\n0.238245 0.476490 0.292054 Si\n0.761754 0.523510 0.707946 Si\n0.566574 0.133149 0.089259 Si\n0.433426 0.866851 0.910740 Si\n0.152585 0.305170 0.045092 As\n0.847414 0.694830 0.954908 As\n0.163169 0.326339 0.675285 As\n0.836830 0.673661 0.324715 As\n0.536307 0.072614 0.324448 As\n0.463693 0.927386 0.675552 As\n",
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{
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"structure_string": "Si1 Ag1 Pt5\n1.0\n3.958961 -0.000000 -0.000000\n-0.000000 3.958961 -0.000000\n-0.000000 0.000000 7.171523\nSi Ag Pt\n1 1 5\ndirect\n0.000000 0.000000 0.500000 Si\n0.500000 0.500000 0.000000 Ag\n0.000000 0.500000 0.294831 Pt\n0.000000 0.500000 0.705169 Pt\n0.500000 0.000000 0.294831 Pt\n0.500000 0.000000 0.705169 Pt\n0.000000 0.000000 0.000000 Pt\n",
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{
"id": "jvasp-99441",
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"updated_at": "2022-09-04T14:36:31.713936Z",
"structure_string": "Si2 Ag4 P4\n1.0\n5.640799 -0.002978 -2.888122\n-2.110181 5.231229 -2.888122\n0.002011 0.002978 6.337180\nSi Ag P\n2 4 4\ndirect\n0.000000 0.000000 0.000000 Si\n0.750000 0.250000 0.500000 Si\n0.375000 0.676419 0.801419 Ag\n0.875000 0.573581 0.198582 Ag\n0.323582 0.125000 0.698582 Ag\n0.426419 0.625000 0.301419 Ag\n0.375000 0.295666 0.420667 P\n0.875000 0.954334 0.579334 P\n0.704334 0.125000 0.079334 P\n0.045667 0.625001 0.920667 P\n",
"nsites": 10,
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"density": 5.428749834216454,
"density_atomic": 0.0534597201317553,
"volume": 187.05672187123847,
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"formula_full": "Si2 Ag4 P4",
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"formula_anonymous": "AB2C2",
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"spacegroup": 122
},
{
"id": "jvasp-34561",
"created_at": "2022-09-04T14:36:35.184359Z",
"updated_at": "2022-09-04T14:36:35.184390Z",
"structure_string": "Si2 Ag8 O8\n1.0\n7.464969 0.000000 -0.000000\n-0.000000 7.464969 0.000000\n-0.000000 0.000000 4.773802\nSi Ag O\n2 8 8\ndirect\n0.000000 0.000000 0.500000 Si\n0.500000 0.500000 0.000000 Si\n0.888055 0.675496 0.044476 Ag\n0.111945 0.324504 0.044476 Ag\n0.611945 0.824504 0.455524 Ag\n0.675496 0.111945 0.955523 Ag\n0.175496 0.611945 0.544476 Ag\n0.824504 0.388055 0.544476 Ag\n0.324504 0.888055 0.955523 Ag\n0.388055 0.175496 0.455524 Ag\n0.327659 0.437979 0.804549 O\n0.562021 0.327659 0.195451 O\n0.172341 0.062021 0.695450 O\n0.672341 0.562021 0.804549 O\n0.937979 0.172341 0.304549 O\n0.827659 0.937979 0.695450 O\n0.437979 0.672341 0.195451 O\n0.062021 0.827659 0.304549 O\n",
"nsites": 18,
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"elements": [
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"density": 6.536145810099425,
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"volume": 266.02375490325795,
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"formula_full": "Si2 Ag8 O8",
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"formula_anonymous": "AB4C4",
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"spacegroup": 86
},
{
"id": "jvasp-102326",
"created_at": "2022-09-04T14:36:50.118653Z",
"updated_at": "2022-09-04T14:36:50.118680Z",
"structure_string": "Si1 Ag3\n1.0\n2.925298 -0.000000 0.000000\n-1.462649 2.533383 0.000000\n0.000000 -0.000000 9.272577\nSi Ag\n1 3\ndirect\n0.333333 0.666666 0.500000 Si\n0.333333 0.666666 -0.000000 Ag\n0.666667 0.333333 0.742266 Ag\n0.666667 0.333333 0.257735 Ag\n",
"nsites": 4,
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"elements": [
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{
"id": "jvasp-92177",
"created_at": "2022-09-04T14:35:52.959010Z",
"updated_at": "2022-09-04T14:35:52.959031Z",
"structure_string": "Si7 Ge1\n1.0\n5.520391 -0.000000 -0.000000\n0.000000 5.520391 0.000000\n-0.000000 -0.000000 5.520391\nSi Ge\n7 1\ndirect\n0.252642 0.252642 0.252642 Si\n0.000000 0.500000 0.500000 Si\n0.500000 0.500000 0.000000 Si\n0.500000 0.000000 0.500000 Si\n0.747358 0.252642 0.747358 Si\n0.747358 0.747358 0.252642 Si\n0.252642 0.747358 0.747358 Si\n0.000000 0.000000 0.000000 Ge\n",
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{
"id": "jvasp-88859",
"created_at": "2022-09-04T14:35:56.757765Z",
"updated_at": "2022-09-04T14:35:56.757786Z",
"structure_string": "Si5 P6 O25\n1.0\n7.159151 -0.002785 5.953484\n2.790560 6.592891 5.953484\n-0.004204 -0.002785 9.311142\nSi P O\n5 6 25\ndirect\n0.179672 0.179671 0.179672 Si\n0.000000 0.000000 0.000000 Si\n0.820329 0.820327 0.820328 Si\n0.433826 0.433824 0.433825 Si\n0.566176 0.566174 0.566175 Si\n0.927805 0.174163 0.621354 P\n0.825836 0.378644 0.072195 P\n0.072196 0.825835 0.378645 P\n0.621355 0.927804 0.174164 P\n0.378646 0.072195 0.825835 P\n0.174165 0.621354 0.927804 P\n0.250972 0.973750 0.897212 O\n0.432255 0.206146 0.590702 O\n0.026250 0.102787 0.749029 O\n0.102788 0.749029 0.026249 O\n0.749029 0.026249 0.102788 O\n0.973751 0.897211 0.250971 O\n0.897213 0.250970 0.973750 O\n0.096452 0.139730 0.428170 O\n0.733092 0.779314 0.076708 O\n0.139731 0.428170 0.096452 O\n0.428171 0.096451 0.139730 O\n0.903549 0.860268 0.571829 O\n0.860271 0.571828 0.903548 O\n0.571831 0.903547 0.860269 O\n0.793854 0.409297 0.567746 O\n0.076709 0.733091 0.779315 O\n0.409298 0.567745 0.793853 O\n0.206147 0.590702 0.432254 O\n0.590703 0.432253 0.206146 O\n0.500001 0.499999 0.500000 O\n0.266909 0.220684 0.923292 O\n0.923292 0.266907 0.220685 O\n0.220685 0.923291 0.266907 O\n0.567747 0.793853 0.409297 O\n0.779316 0.076707 0.733092 O\n",
"nsites": 36,
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"elements": [
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"P",
"O"
],
"chemical_system": "O-P-Si",
"density": 2.7421537181416236,
"density_atomic": 0.08185703721307262,
"volume": 439.79114350660586,
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"formula_full": "Si5 P6 O25",
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"spacegroup": 148
},
{
"id": "jvasp-112520",
"created_at": "2022-09-04T14:38:41.595143Z",
"updated_at": "2022-09-04T14:38:41.595169Z",
"structure_string": "Si5 H8 Cl4\n1.0\n7.116505 -0.022838 -1.661057\n-4.484552 5.525753 -1.661057\n0.010923 0.022838 7.307779\nSi H Cl\n5 8 4\ndirect\n0.250000 0.750000 0.499999 Si\n0.850074 0.613597 0.374220 Si\n0.239377 0.475854 0.625779 Si\n0.386402 0.760622 0.236476 Si\n0.524146 0.149925 0.763523 Si\n0.664844 0.327311 0.685347 H\n0.641964 0.979496 0.314651 H\n0.020503 0.335156 0.662468 H\n0.672688 0.358035 0.337531 H\n0.408555 0.221976 0.870872 H\n0.351103 0.537683 0.129127 H\n0.462316 0.591445 0.813421 H\n0.778023 0.648896 0.186578 H\n0.823764 0.814527 0.607711 Cl\n0.206816 0.216052 0.392288 Cl\n0.185472 0.793184 0.009237 Cl\n0.783947 0.176235 0.990762 Cl\n",
"nsites": 17,
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"elements": [
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"H",
"Cl"
],
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"density": 1.6786919412831929,
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"volume": 287.16376960353705,
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"formula_full": "Si5 H8 Cl4",
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{
"id": "jvasp-3306",
"created_at": "2022-09-04T14:35:47.371076Z",
"updated_at": "2022-09-04T14:35:47.371111Z",
"structure_string": "Si4 P4 Ru1\n1.0\n4.995881 0.004677 -0.000908\n-1.882224 -5.381032 -0.002553\n-2.309013 0.293744 -5.784150\nSi P Ru\n4 4 1\ndirect\n0.670610 0.224481 0.774033 Si\n0.237428 0.655832 0.567814 Si\n0.358537 0.405449 0.119002 Si\n0.844235 0.027844 0.310516 Si\n0.160070 0.983570 0.681091 P\n0.621624 0.588788 0.877532 P\n0.766715 0.357871 0.436428 P\n0.341226 0.772490 0.241186 P\n0.999458 0.001873 0.000896 Ru\n",
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],
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"density": 3.602932118254882,
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"volume": 155.45991771691143,
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"formula_full": "Si4 P4 Ru1",
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"spacegroup": 1
},
{
"id": "jvasp-111009",
"created_at": "2022-09-04T14:38:36.282755Z",
"updated_at": "2022-09-04T14:38:36.282781Z",
"structure_string": "Si4 Mo1 W1\n1.0\n3.239042 0.000000 0.000000\n0.000000 3.239042 0.000000\n0.000000 0.000000 7.890055\nSi Mo W\n4 1 1\ndirect\n0.500000 0.500000 0.163944 Si\n0.000000 0.000000 0.665138 Si\n0.000000 0.000000 0.334862 Si\n0.500000 0.500000 0.836057 Si\n0.000000 0.000000 0.000000 Mo\n0.500000 0.500000 0.500000 W\n",
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},
{
"id": "jvasp-52103",
"created_at": "2022-09-04T14:38:31.010713Z",
"updated_at": "2022-09-04T14:38:31.010722Z",
"structure_string": "Si6 W10\n1.0\n4.679558 -0.000000 1.705961\n2.339778 6.861060 0.852981\n-0.010176 -0.000000 7.299054\nSi W\n6 10\ndirect\n0.750000 0.000000 -0.000000 Si\n0.250000 0.000000 -0.000000 Si\n0.831591 0.500000 0.836817 Si\n0.668409 0.163182 0.500000 Si\n0.331592 0.836818 0.500000 Si\n0.168409 0.500000 0.163182 Si\n0.424995 0.300098 0.849911 W\n0.575005 0.699902 0.150088 W\n0.250000 0.500000 0.500000 W\n0.750000 0.500000 0.500000 W\n0.725094 0.849911 0.699901 W\n0.274906 0.150089 0.300098 W\n0.924996 0.849911 0.300098 W\n0.225093 0.699902 0.849911 W\n0.774907 0.300098 0.150088 W\n0.075004 0.150089 0.699902 W\n",
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{
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"created_at": "2022-09-04T14:37:27.730866Z",
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"structure_string": "Si6 W10\n1.0\n4.679558 -0.000000 1.705961\n2.339778 6.861060 0.852981\n-0.010176 -0.000000 7.299054\nSi W\n6 10\ndirect\n0.750000 0.000000 -0.000000 Si\n0.250000 0.000000 -0.000000 Si\n0.831591 0.500000 0.836817 Si\n0.668409 0.163182 0.500000 Si\n0.331592 0.836818 0.500000 Si\n0.168409 0.500000 0.163182 Si\n0.424995 0.300098 0.849911 W\n0.575005 0.699902 0.150088 W\n0.250000 0.500000 0.500000 W\n0.750000 0.500000 0.500000 W\n0.725094 0.849911 0.699901 W\n0.274906 0.150089 0.300098 W\n0.924996 0.849911 0.300098 W\n0.225093 0.699902 0.849911 W\n0.774907 0.300098 0.150088 W\n0.075004 0.150089 0.699902 W\n",
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"formula_full": "Si6 W10",
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"spacegroup": 140
}
]
}