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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=1138",
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{
"id": "jvasp-34656",
"created_at": "2022-09-04T14:37:08.148846Z",
"updated_at": "2022-09-04T14:37:08.148872Z",
"structure_string": "Si8 O16\n1.0\n6.853485 0.000000 0.000000\n0.000000 7.026603 0.000000\n0.000000 0.000000 7.025656\nSi O\n8 16\ndirect\n0.000064 0.060058 -0.000114 Si\n0.750097 0.749982 0.189922 Si\n0.249904 0.249982 0.310079 Si\n0.500064 0.439942 0.000114 Si\n-0.000064 0.560058 0.500114 Si\n0.749904 0.250018 0.689922 Si\n0.499937 0.939942 0.499886 Si\n0.250097 0.750018 0.810079 Si\n0.938152 0.194025 0.820553 O\n0.438205 0.805829 0.679175 O\n0.188019 0.429174 0.444227 O\n0.438151 0.305975 0.179447 O\n0.811677 0.429400 0.555965 O\n0.311981 0.570826 0.944227 O\n0.061796 0.194171 0.179175 O\n0.061849 0.694025 0.679448 O\n0.561849 0.805975 0.320553 O\n0.688324 0.570599 0.055965 O\n0.938205 0.694171 0.320826 O\n0.188324 0.929400 0.944036 O\n0.811982 0.929174 0.055773 O\n0.688019 0.070826 0.555773 O\n0.561796 0.305829 0.820826 O\n0.311677 0.070599 0.444036 O\n",
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{
"id": "jvasp-34733",
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"structure_string": "Si4 O8\n1.0\n4.592410 -0.000023 1.368214\n2.167217 4.467757 1.117036\n0.028292 0.165200 8.296093\nSi O\n4 8\ndirect\n0.701114 0.061882 0.313697 Si\n0.298886 0.938119 0.686302 Si\n0.923319 0.561864 0.813693 Si\n0.076681 0.438137 0.186307 Si\n0.854595 0.283815 0.320900 O\n0.459297 0.216220 0.179103 O\n0.004309 0.249992 0.749994 O\n0.995690 0.750009 0.250005 O\n0.145405 0.716186 0.679100 O\n0.540703 0.783781 0.820896 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n",
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{
"id": "jvasp-34660",
"created_at": "2022-09-04T14:37:14.401744Z",
"updated_at": "2022-09-04T14:37:14.401764Z",
"structure_string": "Si4 O8\n1.0\n5.132921 -0.058086 0.002983\n0.465633 5.246286 -0.017214\n1.927633 2.031113 6.444338\nSi O\n4 8\ndirect\n0.387064 0.717927 0.593142 Si\n0.439352 0.634001 0.049238 Si\n0.179965 0.275097 0.440889 Si\n0.864586 0.695428 0.247041 Si\n0.450197 0.634479 0.818121 O\n0.169052 0.962278 0.573446 O\n0.263074 0.457479 0.568121 O\n0.726034 0.740791 0.054916 O\n0.668087 0.829630 0.414078 O\n0.177671 0.809609 0.139953 O\n0.890929 0.381167 0.386404 O\n0.398429 0.330573 0.211972 O\n",
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"elements": [
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"formula_anonymous": "AB2",
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"spacegroup": 1
},
{
"id": "jvasp-34484",
"created_at": "2022-09-04T14:37:19.005725Z",
"updated_at": "2022-09-04T14:37:19.005755Z",
"structure_string": "Si4 O8\n1.0\n4.526860 0.000000 1.467756\n2.263429 4.749201 0.733878\n-0.030794 -0.000000 7.809734\nSi O\n4 8\ndirect\n0.061911 0.250000 0.876178 Si\n0.311911 0.750000 0.376179 Si\n0.938090 0.750000 0.123822 Si\n0.688091 0.250000 0.623821 Si\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.000000 O\n0.500001 0.500000 0.500000 O\n0.439314 0.121374 0.750000 O\n0.810688 0.378626 0.750000 O\n0.189314 0.621374 0.250000 O\n0.560688 0.878626 0.250000 O\n",
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"volume": 168.11587641648777,
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"formula_full": "Si4 O8",
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"spacegroup": 70
},
{
"id": "jvasp-34454",
"created_at": "2022-09-04T14:37:10.234979Z",
"updated_at": "2022-09-04T14:37:10.235006Z",
"structure_string": "Si4 O8\n1.0\n4.778095 0.000000 1.828704\n1.926448 6.440573 2.123047\n0.043719 -0.321925 7.042299\nSi O\n4 8\ndirect\n0.593101 0.257948 0.556519 Si\n0.407570 0.742050 0.443481 Si\n0.907570 0.943480 0.242051 Si\n0.093101 0.056519 0.757949 Si\n0.765609 0.148579 0.729798 O\n0.068299 -0.000000 -0.000000 O\n0.265608 0.229798 0.648580 O\n0.643986 0.851420 0.270201 O\n0.276861 0.848065 0.651934 O\n0.776861 0.151933 0.348066 O\n0.568300 0.499999 0.500000 O\n0.143985 0.770201 0.351421 O\n",
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"density": 1.8278843851563766,
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"volume": 218.33400022349616,
"volume_molar": 10.956984016998044,
"formula_full": "Si4 O8",
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"spacegroup": 46
},
{
"id": "jvasp-57511",
"created_at": "2022-09-04T14:37:18.963105Z",
"updated_at": "2022-09-04T14:37:18.963133Z",
"structure_string": "Si6 O12\n1.0\n7.667520 -0.005544 -3.770113\n-6.053468 4.705998 -3.770113\n-0.001904 -0.005545 8.544273\nSi O\n6 12\ndirect\n0.805878 0.805878 0.184593 Si\n0.194123 0.815409 0.194124 Si\n0.184593 0.805878 0.805878 Si\n0.815409 0.194124 0.194124 Si\n0.805879 0.184594 0.805879 Si\n0.194124 0.194124 0.815409 Si\n0.500001 0.000001 0.500001 O\n0.000000 0.822637 0.177366 O\n0.000001 0.000001 0.500000 O\n0.822637 0.000001 0.177366 O\n0.000000 0.500000 0.000000 O\n0.177365 0.822636 0.000001 O\n0.822637 0.177366 0.000001 O\n0.177366 0.000001 0.822637 O\n0.000001 0.500001 0.500001 O\n0.000001 0.177366 0.822637 O\n0.500000 0.500001 0.000001 O\n0.500000 0.000000 0.000000 O\n",
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"formula_full": "Si6 O12",
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"energy_above_hull": 1.4741952000000005,
"spacegroup": 166
},
{
"id": "jvasp-57499",
"created_at": "2022-09-04T14:37:10.951587Z",
"updated_at": "2022-09-04T14:37:10.951611Z",
"structure_string": "Si6 O12\n1.0\n6.038877 0.136954 0.059612\n0.060363 6.040128 0.059612\n0.135227 0.136954 6.037657\nSi O\n6 12\ndirect\n0.252652 0.504342 0.889573 Si\n0.504343 0.889573 0.252651 Si\n0.495658 0.110426 0.747349 Si\n0.889573 0.252651 0.504343 Si\n0.110427 0.747348 0.495657 Si\n0.747349 0.495657 0.110427 Si\n-0.000000 0.500000 0.500000 O\n0.751449 0.273682 0.272847 O\n0.500001 -0.000001 0.500000 O\n0.727153 0.248550 0.726318 O\n0.500000 -0.000000 -0.000000 O\n0.273683 0.272847 0.751449 O\n-0.000000 0.500000 -0.000000 O\n0.000000 -0.000000 0.500000 O\n0.726318 0.727152 0.248551 O\n0.248551 0.726317 0.727153 O\n0.272847 0.751449 0.273682 O\n0.500000 0.500000 -0.000000 O\n",
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"density": 2.7200645564130137,
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"volume": 220.08079301813078,
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"formula_full": "Si6 O12",
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{
"id": "jvasp-115105",
"created_at": "2022-09-04T14:38:43.135960Z",
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"structure_string": "S1 I1 O1\n1.0\n4.432226 -0.000000 0.000000\n-2.216113 3.838421 -0.000000\n-0.000000 -0.000000 3.648181\nS I O\n1 1 1\ndirect\n0.666667 0.333333 0.000000 S\n0.000000 0.000000 0.000000 I\n0.333334 0.666666 0.000000 O\n",
"nsites": 3,
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},
{
"id": "jvasp-115107",
"created_at": "2022-09-04T14:38:43.185345Z",
"updated_at": "2022-09-04T14:38:43.185376Z",
"structure_string": "S1 I1 O1\n1.0\n3.078062 0.000000 -0.000000\n0.000000 3.078062 -0.000000\n-0.000000 0.000000 8.397745\nS I O\n1 1 1\ndirect\n0.000000 0.000000 0.793481 S\n0.000000 0.000000 0.372646 I\n0.000000 0.000000 -0.029088 O\n",
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{
"id": "jvasp-52128",
"created_at": "2022-09-04T14:37:10.417509Z",
"updated_at": "2022-09-04T14:37:10.417526Z",
"structure_string": "Si6 O6\n1.0\n2.260048 -3.914518 0.000000\n2.260048 3.914518 -0.000000\n0.000000 -0.000000 9.577221\nSi O\n6 6\ndirect\n0.500000 0.000000 0.274560 Si\n0.500000 0.000000 0.725440 Si\n0.000000 0.500000 0.058774 Si\n0.000000 0.500000 0.607893 Si\n0.500000 0.500000 0.941226 Si\n0.500000 0.500000 0.392107 Si\n0.336038 0.168020 0.833333 O\n0.831981 0.168020 0.166667 O\n0.831981 0.663963 0.500000 O\n0.168020 0.336038 0.500000 O\n0.168020 0.831981 0.166667 O\n0.663963 0.831981 0.833333 O\n",
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"formula_full": "Si6 O6",
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{
"id": "jvasp-34188",
"created_at": "2022-09-04T14:37:09.018801Z",
"updated_at": "2022-09-04T14:37:09.018821Z",
"structure_string": "Si6 O6\n1.0\n2.260048 -3.914518 0.000000\n2.260048 3.914518 -0.000000\n-0.000000 -0.000000 9.577221\nSi O\n6 6\ndirect\n0.500000 0.000000 0.274560 Si\n0.500000 0.000000 0.725440 Si\n0.000000 0.500000 0.058774 Si\n0.000000 0.500000 0.607893 Si\n0.500000 0.500000 0.941226 Si\n0.500000 0.500000 0.392107 Si\n0.336038 0.168020 0.833333 O\n0.831981 0.168020 0.166667 O\n0.831981 0.663963 0.500000 O\n0.168020 0.336038 0.500000 O\n0.168020 0.831981 0.166667 O\n0.663963 0.831981 0.833333 O\n",
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"spacegroup": 181
},
{
"id": "jvasp-112350",
"created_at": "2022-09-04T14:38:27.244140Z",
"updated_at": "2022-09-04T14:38:27.244160Z",
"structure_string": "Si4 Ni4 W4\n1.0\n4.723530 -0.002505 0.000000\n-2.224610 4.166876 0.000000\n0.000000 0.000000 7.663245\nSi Ni W\n4 4 4\ndirect\n0.353799 0.158464 -0.000000 Si\n0.841537 0.646203 -0.000000 Si\n0.989832 0.010170 0.270861 Si\n0.989832 0.010170 0.729138 Si\n0.165263 0.834739 0.500000 Ni\n0.649862 0.832808 0.500000 Ni\n0.167194 0.350140 0.500000 Ni\n0.852185 0.147816 -0.000000 Ni\n0.336173 0.663828 0.812803 W\n0.659129 0.340873 0.691521 W\n0.659129 0.340873 0.308479 W\n0.336173 0.663828 0.187196 W\n",
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"elements": [
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],
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"density": 11.92065795605562,
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"volume": 150.78807135206486,
"volume_molar": 7.567224921758818,
"formula_full": "Si4 Ni4 W4",
"formula_reduced": "SiNiW",
"formula_anonymous": "ABC",
"energy_above_hull": 3.5755370000000006,
"spacegroup": 38
}
]
}