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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-structure_string&page=1143",
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{
"id": "jvasp-113735",
"created_at": "2022-09-04T14:38:47.008598Z",
"updated_at": "2022-09-04T14:38:47.008630Z",
"structure_string": "Si2 Os2\n1.0\n5.993043 -0.781400 0.336260\n-1.624256 -2.306740 -0.052300\n0.116734 3.499123 -5.583038\nSi Os\n2 2\ndirect\n0.748675 0.436066 0.154973 Si\n0.698452 0.367120 0.637375 Si\n0.017262 0.081939 0.032865 Os\n0.424970 0.270385 0.313786 Os\n",
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{
"id": "jvasp-39092",
"created_at": "2022-09-04T14:38:01.150368Z",
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"structure_string": "Si2 Os1 Ru1\n1.0\n-0.000000 2.963442 2.963442\n2.963442 0.000000 2.963442\n2.963442 2.963442 -0.000000\nSi Os Ru\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.500000 Si\n0.249999 0.249999 0.249999 Os\n0.750000 0.750000 0.750000 Ru\n",
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{
"id": "jvasp-113734",
"created_at": "2022-09-04T14:38:49.005744Z",
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"structure_string": "Si2 Os1\n1.0\n4.604186 0.184117 -0.374373\n0.604545 -2.877146 -0.226955\n-0.290148 0.212237 -3.459730\nSi Os\n2 1\ndirect\n0.088918 0.524967 0.137656 Si\n0.449607 0.684877 0.637655 Si\n0.662161 0.152360 0.137658 Os\n",
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"elements": [
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],
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"density": 8.758754121422605,
"density_atomic": 0.0642202550553753,
"volume": 46.7142336543694,
"volume_molar": 9.377323018738057,
"formula_full": "Si2 Os1",
"formula_reduced": "Si2Os",
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"spacegroup": 6
},
{
"id": "jvasp-8150",
"created_at": "2022-09-04T14:37:05.474771Z",
"updated_at": "2022-09-04T14:37:05.474790Z",
"structure_string": "Si2 O4\n1.0\n5.083109 0.000000 -2.442157\n-1.083838 4.054854 -2.255901\n-0.954122 -0.537284 4.525164\nSi O\n2 4\ndirect\n-0.000001 0.749999 -0.000001 Si\n-0.000000 0.250000 -0.000000 Si\n-0.001343 0.646792 0.293584 O\n0.705072 0.853207 0.706414 O\n0.294928 0.146793 0.293585 O\n0.001343 0.353208 0.706415 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 2.6173942358747366,
"density_atomic": 0.07870100767570277,
"volume": 76.23790567871433,
"volume_molar": 7.651923320747017,
"formula_full": "Si2 O4",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.5302452000000002,
"spacegroup": 140
},
{
"id": "jvasp-58394",
"created_at": "2022-09-04T14:37:34.049183Z",
"updated_at": "2022-09-04T14:37:34.049214Z",
"structure_string": "Si2 O4\n1.0\n4.573010 0.000000 2.640229\n1.524337 4.311475 2.640229\n0.000000 0.000000 5.280457\nSi O\n2 4\ndirect\n0.125000 0.125000 0.125000 Si\n0.875000 0.875001 0.875000 Si\n0.000000 0.500001 -0.000000 O\n0.500000 -0.000000 0.000000 O\n0.000000 0.000000 0.000000 O\n-0.000000 -0.000000 0.500000 O\n",
"nsites": 6,
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"elements": [
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],
"chemical_system": "O-Si",
"density": 1.9166400783672197,
"density_atomic": 0.057630410983436235,
"volume": 104.11169897303841,
"volume_molar": 10.44958843297308,
"formula_full": "Si2 O4",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.4026318666666668,
"spacegroup": 227
},
{
"id": "jvasp-26341",
"created_at": "2022-09-04T14:38:27.390787Z",
"updated_at": "2022-09-04T14:38:27.390824Z",
"structure_string": "Si2 O4\n1.0\n4.516480 -0.772413 -2.188273\n-2.571472 4.334240 -0.621306\n-0.458145 0.772360 4.997764\nSi O\n2 4\ndirect\n0.000004 -0.000000 0.000003 Si\n0.500005 0.750005 0.250002 Si\n0.357588 0.375003 0.232585 O\n0.857589 0.982587 0.625003 O\n0.142408 0.767406 0.125001 O\n0.642406 0.875002 0.017404 O\n",
"nsites": 6,
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"elements": [
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"density": 2.2207322193511145,
"density_atomic": 0.06677399263944771,
"volume": 89.85534281883592,
"volume_molar": 9.018692041551418,
"formula_full": "Si2 O4",
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"spacegroup": 122
},
{
"id": "jvasp-58348",
"created_at": "2022-09-04T14:37:41.134995Z",
"updated_at": "2022-09-04T14:37:41.135021Z",
"structure_string": "Si2 O4\n1.0\n4.218921 -0.000000 0.000000\n-0.000000 4.218921 0.000000\n0.000000 0.000000 2.702930\nSi O\n2 4\ndirect\n0.500000 0.500000 0.500000 Si\n0.000000 0.000000 0.000000 Si\n0.694033 0.694033 0.000000 O\n0.194034 0.805966 0.500000 O\n0.305966 0.305966 0.000000 O\n0.805966 0.194034 0.500000 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
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"density": 4.147653941755634,
"density_atomic": 0.12471355680095991,
"volume": 48.110246824055125,
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"formula_full": "Si2 O4",
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"spacegroup": 136
},
{
"id": "jvasp-28392",
"created_at": "2022-09-04T14:36:55.989638Z",
"updated_at": "2022-09-04T14:36:55.989668Z",
"structure_string": "Si2 O4\n1.0\n3.809107 -0.000077 -0.000032\n0.000046 3.808720 -0.000089\n0.000020 0.000190 3.808749\nSi O\n2 4\ndirect\n0.809347 0.111254 0.918329 Si\n0.309358 0.611254 0.418326 Si\n0.559358 0.861255 0.668319 O\n0.059351 0.861267 0.168346 O\n0.559351 0.361248 0.168333 O\n0.059353 0.361260 0.668328 O\n",
"nsites": 6,
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"elements": [
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"density": 3.611233132226314,
"density_atomic": 0.10858421041915098,
"volume": 55.25665266468412,
"volume_molar": 5.546055671219282,
"formula_full": "Si2 O4",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.4859418666666668,
"spacegroup": 224
},
{
"id": "jvasp-118308",
"created_at": "2022-09-04T14:38:51.089772Z",
"updated_at": "2022-09-04T14:38:51.089806Z",
"structure_string": "Si2 O2 F2\n1.0\n3.666965 0.000000 0.000000\n0.000000 2.782561 0.000000\n0.000000 0.000000 7.690181\nSi O F\n2 2 2\ndirect\n0.500000 0.000000 0.247503 Si\n0.000000 0.500000 0.752496 Si\n0.000000 0.000000 0.872440 O\n0.500000 0.500000 0.127560 O\n0.500000 0.500000 0.685966 F\n0.000000 0.000000 0.314033 F\n",
"nsites": 6,
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"elements": [
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"F"
],
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"density": 2.669964572733552,
"density_atomic": 0.07646509458673005,
"volume": 78.46717554497415,
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"formula_full": "Si2 O2 F2",
"formula_reduced": "SiOF",
"formula_anonymous": "ABC",
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"spacegroup": 59
},
{
"id": "jvasp-78526",
"created_at": "2022-09-04T14:37:12.140293Z",
"updated_at": "2022-09-04T14:37:12.140302Z",
"structure_string": "Si2 O1\n1.0\n-2.304434 -2.989415 0.889980\n-1.436692 2.488423 -0.000000\n0.834756 0.481948 -4.563646\nSi O\n2 1\ndirect\n0.703510 0.351754 0.932809 Si\n0.426913 0.713455 0.214135 Si\n0.536175 0.268087 0.513057 O\n",
"nsites": 3,
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"density": 2.767379766675821,
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"volume": 43.30514015288283,
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"formula_full": "Si2 O1",
"formula_reduced": "Si2O",
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"spacegroup": 8
},
{
"id": "jvasp-15432",
"created_at": "2022-09-04T14:35:55.921215Z",
"updated_at": "2022-09-04T14:35:55.921237Z",
"structure_string": "Si2 Ni6 B1\n1.0\n3.058774 -5.297952 0.000000\n3.058774 5.297952 -0.000000\n-0.000000 -0.000000 2.899640\nSi Ni B\n2 6 1\ndirect\n0.333332 0.666666 0.000000 Si\n0.666666 0.333332 0.000000 Si\n0.756084 0.756084 0.000000 Ni\n-0.000000 0.243915 0.000000 Ni\n0.389707 0.389707 0.500000 Ni\n-0.000000 0.610292 0.500000 Ni\n0.243915 -0.000000 0.000000 Ni\n0.610292 -0.000000 0.500000 Ni\n0.000000 0.000000 0.500000 B\n",
"nsites": 9,
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"elements": [
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],
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"density": 7.405957343592334,
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"volume": 93.97871164768021,
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"formula_full": "Si2 Ni6 B1",
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"formula_anonymous": "AB2C6",
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"spacegroup": 189
},
{
"id": "jvasp-96829",
"created_at": "2022-09-04T14:36:30.979523Z",
"updated_at": "2022-09-04T14:36:30.979564Z",
"structure_string": "Si2 Ni4 P8 O28\n1.0\n4.884937 0.000000 0.000000\n-2.442468 8.231611 -2.030851\n0.000000 -0.036934 12.255196\nSi Ni P O\n2 4 8 28\ndirect\n0.671047 0.000000 0.750000 Si\n0.328954 0.000000 0.250000 Si\n0.400123 0.504594 0.370744 Ni\n0.895529 0.495406 0.129257 Ni\n0.104471 0.504595 0.870744 Ni\n0.599877 0.495406 0.629257 Ni\n0.002119 0.251797 0.634659 P\n0.805848 0.274047 0.414508 P\n-0.002119 0.748204 0.365341 P\n0.531800 0.725953 0.085492 P\n0.249678 0.251797 0.134659 P\n0.468201 0.274048 0.914508 P\n0.750322 0.748204 0.865341 P\n0.194153 0.725953 0.585492 P\n0.909829 0.694622 0.634941 O\n0.685824 0.714801 0.382439 O\n0.733983 0.416621 0.955542 O\n0.184905 0.809874 0.483495 O\n0.784794 0.694622 0.134941 O\n0.317362 0.583380 0.544459 O\n0.897985 0.389339 0.706425 O\n0.458012 0.867773 0.170100 O\n0.818373 0.912432 0.826257 O\n0.375031 0.190126 0.016506 O\n0.682638 0.416621 0.455542 O\n0.491354 0.389339 0.206425 O\n0.314176 0.285200 0.617562 O\n0.094059 0.912431 0.326257 O\n0.215206 0.305378 0.865060 O\n0.624969 0.809874 0.983495 O\n0.508646 0.610661 0.793575 O\n0.541989 0.132228 0.829900 O\n0.102015 0.610661 0.293575 O\n0.409761 0.867773 0.670100 O\n0.590240 0.132227 0.329900 O\n0.028977 0.714801 0.882439 O\n0.971024 0.285199 0.117561 O\n0.181628 0.087569 0.173743 O\n0.815096 0.190127 0.516506 O\n0.905942 0.087569 0.673743 O\n0.090172 0.305378 0.365060 O\n0.266017 0.583379 0.044459 O\n",
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],
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"density_atomic": 0.08529199145643088,
"volume": 492.4260681784476,
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"formula_full": "Si2 Ni4 P8 O28",
"formula_reduced": "SiNi2(P2O7)2",
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}
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}