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{
"id": "jvasp-50466",
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"updated_at": "2022-09-04T14:36:19.273034Z",
"structure_string": "Li10 Sb2 S8\n1.0\n3.762951 6.208224 0.000000\n-3.762951 6.208224 0.000000\n0.000000 0.000000 7.811485\nLi Sb S\n10 2 8\ndirect\n0.247102 0.882133 0.307471 Li\n0.752898 0.117866 0.807471 Li\n0.841577 0.420529 0.015847 Li\n0.579470 0.158422 0.515847 Li\n0.866134 0.866134 0.215184 Li\n0.882133 0.247102 0.307471 Li\n0.158422 0.579470 0.515847 Li\n0.420529 0.841577 0.015847 Li\n0.117866 0.752898 0.807471 Li\n0.133865 0.133865 0.715184 Li\n0.336083 0.336083 0.089433 Sb\n0.663916 0.663916 0.589434 Sb\n0.499397 0.016099 0.263973 S\n0.500602 0.983900 0.763973 S\n0.016099 0.499397 0.263973 S\n0.022473 0.022473 0.026059 S\n0.977527 0.977527 0.526060 S\n0.478881 0.478881 0.710448 S\n0.521119 0.521119 0.210448 S\n0.983900 0.500602 0.763973 S\n",
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{
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"structure_string": "Na4 Be1 Tc1\n1.0\n0.000000 3.994858 3.994858\n3.994858 -0.000000 3.994858\n3.994858 3.994858 -0.000000\nNa Be Tc\n4 1 1\ndirect\n0.125573 0.624810 0.624810 Na\n0.624810 0.624810 0.624810 Na\n0.624810 0.125573 0.624810 Na\n0.624810 0.624810 0.125573 Na\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Tc\n",
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{
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"updated_at": "2022-09-04T14:37:11.857676Z",
"structure_string": "Rb3 Sb1 F6\n1.0\n6.854806 -0.283458 -2.005256\n-2.190147 6.610242 -1.603801\n0.075747 -0.314158 7.140822\nRb Sb F\n3 1 6\ndirect\n-0.000000 0.500000 -0.000000 Rb\n0.500000 -0.000000 -0.000000 Rb\n0.000000 -0.000000 0.500000 Rb\n0.000000 0.000000 0.000000 Sb\n0.056500 0.767712 0.767741 F\n0.943501 0.232287 0.232258 F\n0.767793 0.767756 0.056450 F\n0.232207 0.232243 0.943549 F\n0.767676 0.056483 0.767742 F\n0.232324 0.943516 0.232257 F\n",
"nsites": 10,
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"volume": 315.3362600089711,
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"formula_full": "Rb3 Sb1 F6",
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{
"id": "jvasp-65199",
"created_at": "2022-09-04T14:36:04.645408Z",
"updated_at": "2022-09-04T14:36:04.645436Z",
"structure_string": "Li4 Be1 Te1\n1.0\n0.000000 3.748237 3.748237\n3.748237 -0.000000 3.748237\n3.748237 3.748237 0.000000\nLi Be Te\n4 1 1\ndirect\n0.121335 0.626222 0.626222 Li\n0.626222 0.626222 0.626222 Li\n0.626222 0.121335 0.626222 Li\n0.626222 0.626222 0.121335 Li\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Te\n",
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{
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"created_at": "2022-09-04T14:36:17.431588Z",
"updated_at": "2022-09-04T14:36:17.431601Z",
"structure_string": "Li1 Zn1 P1 S4\n1.0\n5.026512 -0.000000 -2.720664\n-1.472594 4.805963 -2.720664\n0.041035 0.055492 6.079465\nLi Zn P S\n1 1 1 4\ndirect\n0.500000 0.500000 0.000001 Li\n0.000000 0.000000 0.000000 Zn\n0.250001 0.749999 0.500000 P\n0.918697 0.411015 0.272245 S\n0.588985 0.646451 0.727755 S\n0.138771 0.081303 0.727755 S\n0.353549 0.861229 0.272245 S\n",
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{
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"created_at": "2022-09-04T14:35:51.036668Z",
"updated_at": "2022-09-04T14:35:51.036688Z",
"structure_string": "K6 Rh2\n1.0\n3.842834 -6.655984 0.000000\n3.842834 6.655984 -0.000000\n0.000000 -0.000000 5.515985\nK Rh\n6 2\ndirect\n0.186682 0.813317 0.750001 K\n0.626634 0.813317 0.750001 K\n0.186682 0.373365 0.750001 K\n0.813317 0.186682 0.250000 K\n0.373365 0.186682 0.250000 K\n0.813317 0.626634 0.250000 K\n0.333333 0.666666 0.250000 Rh\n0.666666 0.333333 0.750001 Rh\n",
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{
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"created_at": "2022-09-04T14:37:16.537421Z",
"updated_at": "2022-09-04T14:37:16.537452Z",
"structure_string": "K1 Ca1 F3\n1.0\n4.435250 0.000000 0.000000\n0.000000 4.435250 0.000000\n0.000000 -0.000000 4.435250\nK Ca F\n1 1 3\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.000000 F\n0.000000 0.000000 0.500000 F\n0.500000 0.000000 0.000000 F\n",
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"spacegroup": 221
},
{
"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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"elements": [
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"density": 2.5919388163123096,
"density_atomic": 0.07081345494051093,
"volume": 169.459321114624,
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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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"formula_full": "Si6 O6",
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{
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"created_at": "2022-09-04T14:37:09.118690Z",
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"structure_string": "Li1 Sc2 Al1\n1.0\n-10.041494 -6.178867 -0.752436\n-2.826564 -2.578857 -2.936423\n-5.246090 -6.384373 -1.226146\nLi Sc Al\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.749986 0.999985 0.000018 Sc\n0.250011 0.000017 0.999985 Sc\n0.499999 0.000001 0.000001 Al\n",
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{
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"created_at": "2022-09-04T14:37:38.293151Z",
"updated_at": "2022-09-04T14:37:38.293177Z",
"structure_string": "Na1 Ga1 H8 N2 F6\n1.0\n-0.000000 -4.267926 4.267926\n-4.267926 4.267926 -0.000000\n-0.000000 -4.267926 -4.267926\nNa Ga H N F\n1 1 8 2 6\ndirect\n0.500000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Ga\n0.459242 0.639496 0.819748 H\n0.180253 0.360505 0.819748 H\n0.180253 0.360505 0.540758 H\n0.180253 0.639496 0.819748 H\n0.819748 0.639496 0.180253 H\n0.819748 0.360505 0.180253 H\n0.540758 0.360505 0.180253 H\n0.819748 0.639496 0.459242 H\n0.750001 0.500000 0.250000 N\n0.250000 0.500000 0.750001 N\n0.774569 0.549138 0.774569 F\n0.225431 0.000000 0.225431 F\n0.225431 0.450863 0.225431 F\n0.774569 0.000000 0.225431 F\n0.225431 0.000000 0.774569 F\n0.774570 0.000000 0.774570 F\n",
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{
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"structure_string": "Na1 O2\n1.0\n3.268632 -0.070110 0.361411\n0.315920 3.254085 0.361411\n-0.078931 -0.070110 3.287605\nNa O\n1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.390173 0.390173 0.390173 O\n0.609826 0.609826 0.609825 O\n",
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}