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{
"id": "jvasp-29646",
"created_at": "2022-09-04T14:38:31.016876Z",
"updated_at": "2022-09-04T14:38:31.016897Z",
"structure_string": "Mg1 Cl2\n1.0\n3.885246 0.000000 0.000000\n0.000000 3.885246 0.000000\n-0.000000 0.000000 5.224556\nMg Cl\n1 2\ndirect\n0.500001 0.500001 0.000000 Mg\n0.000000 0.500001 0.256456 Cl\n0.500001 0.000000 0.743544 Cl\n",
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{
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{
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"structure_string": "K2 Pt1 Br6\n1.0\n6.380895 0.214628 -5.437473\n-1.149950 5.893183 -5.854571\n-0.021511 -0.214628 8.383404\nK Pt Br\n2 1 6\ndirect\n0.675911 0.675911 -0.000000 K\n0.324088 0.324088 -0.000000 K\n0.000000 0.000000 0.000000 Pt\n0.798819 0.500000 0.298820 Br\n0.375859 0.127411 0.248448 Br\n0.121038 0.872589 0.248448 Br\n0.201180 0.500000 0.701179 Br\n0.878962 0.127411 0.751551 Br\n0.624140 0.872589 0.751551 Br\n",
"nsites": 9,
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"volume": 307.2945715879002,
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"formula_anonymous": "AB2C6",
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"spacegroup": 71
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{
"id": "jvasp-106474",
"created_at": "2022-09-04T14:36:52.991594Z",
"updated_at": "2022-09-04T14:36:52.991610Z",
"structure_string": "Ba2 O2\n1.0\n4.573523 -0.000000 0.000000\n-2.286762 3.960787 0.000000\n0.000000 0.000000 5.615044\nBa O\n2 2\ndirect\n0.333334 0.666667 0.937592 Ba\n0.666666 0.333334 0.437592 Ba\n0.333334 0.666667 0.437407 O\n0.666666 0.333334 0.937407 O\n",
"nsites": 4,
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"elements": [
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"spacegroup": 194
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{
"id": "jvasp-9486",
"created_at": "2022-09-04T14:38:17.219300Z",
"updated_at": "2022-09-04T14:38:17.219321Z",
"structure_string": "Ti2 Zn2 F8\n1.0\n-5.146193 -0.000058 -0.000790\n-0.000117 -5.146594 -0.014789\n2.569037 2.554125 5.158957\nTi Zn F\n2 2 8\ndirect\n0.002041 0.499647 -0.001730 Ti\n0.502033 -0.000347 -0.001728 Ti\n0.752303 0.749808 0.498243 Zn\n0.251749 0.249410 0.498238 Zn\n0.665526 0.663208 0.753582 F\n0.909831 0.907376 0.243168 F\n0.338659 0.336200 0.243002 F\n0.409832 0.836277 0.243106 F\n0.094195 0.091846 0.753398 F\n0.165450 0.591879 0.753500 F\n0.594216 0.163170 0.753533 F\n0.838742 0.407348 0.243101 F\n",
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"elements": [
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"volume": 136.43203468470443,
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"formula_full": "Ti2 Zn2 F8",
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{
"id": "jvasp-25345",
"created_at": "2022-09-04T14:37:46.160352Z",
"updated_at": "2022-09-04T14:37:46.160370Z",
"structure_string": "Zr1\n1.0\n2.766790 0.000000 1.597407\n0.922263 2.608555 1.597407\n0.000000 0.000000 3.194814\nZr\n1\ndirect\n0.000000 0.000000 0.000000 Zr\n",
"nsites": 1,
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{
"id": "jvasp-11301",
"created_at": "2022-09-04T14:36:32.061159Z",
"updated_at": "2022-09-04T14:36:32.061188Z",
"structure_string": "Zn2 Cr2 F10\n1.0\n4.874527 0.100969 -1.835433\n-1.959299 4.774063 -0.713781\n-0.054825 -0.059000 7.427398\nZn Cr F\n2 2 10\ndirect\n0.269460 0.519459 0.750001 Zn\n0.730541 0.480540 0.250001 Zn\n0.000000 0.000000 0.000000 Cr\n0.500001 0.000000 0.500001 Cr\n0.346884 0.096883 0.250000 F\n0.653118 0.903116 0.750001 F\n0.548732 0.692826 0.362443 F\n0.830384 0.186290 0.137559 F\n0.769959 0.664761 0.031773 F\n0.132989 0.738186 0.468228 F\n0.230043 0.335239 0.968228 F\n0.867013 0.261814 0.531773 F\n0.169617 0.813710 0.862443 F\n0.451269 0.307173 0.637559 F\n",
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"volume": 173.42064406639605,
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"formula_full": "Zn2 Cr2 F10",
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{
"id": "jvasp-2853",
"created_at": "2022-09-04T14:37:02.474529Z",
"updated_at": "2022-09-04T14:37:02.474550Z",
"structure_string": "Rb2 Li2 S2\n1.0\n4.387471 0.000000 0.000000\n0.000000 4.387471 0.000000\n0.000000 0.000000 7.231515\nRb Li S\n2 2 2\ndirect\n0.500000 0.000000 0.656686 Rb\n0.000000 0.500000 0.343314 Rb\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.176118 S\n0.000000 0.500000 0.823883 S\n",
"nsites": 6,
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"density_atomic": 0.04310160486464862,
"volume": 139.2059534405208,
"volume_molar": 13.971964104147043,
"formula_full": "Rb2 Li2 S2",
"formula_reduced": "RbLiS",
"formula_anonymous": "ABC",
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"spacegroup": 129
},
{
"id": "jvasp-15015",
"created_at": "2022-09-04T14:36:34.480200Z",
"updated_at": "2022-09-04T14:36:34.480223Z",
"structure_string": "Tb1 Ga2\n1.0\n2.100658 -3.638446 0.000000\n2.100658 3.638446 -0.000000\n0.000000 0.000000 4.102022\nTb Ga\n1 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.333333 0.666668 0.500000 Ga\n0.666668 0.333333 0.500000 Ga\n",
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},
{
"id": "jvasp-37894",
"created_at": "2022-09-04T14:38:03.274288Z",
"updated_at": "2022-09-04T14:38:03.274313Z",
"structure_string": "Ce1 Dy1 Zn2\n1.0\n0.000000 3.579047 3.579047\n3.579047 0.000000 3.579047\n3.579047 3.579047 -0.000000\nCe Dy Zn\n1 1 2\ndirect\n0.250001 0.250001 0.250001 Ce\n0.750001 0.750001 0.750001 Dy\n0.000000 0.000000 0.000000 Zn\n0.499999 0.499999 0.499999 Zn\n",
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{
"id": "jvasp-81100",
"created_at": "2022-09-04T14:37:17.678979Z",
"updated_at": "2022-09-04T14:37:17.679005Z",
"structure_string": "Ca2 Mg1 Pb1\n1.0\n-11.407166 -0.000000 -6.585931\n-7.296248 -1.367570 -0.534389\n-5.589793 3.459014 -3.490056\nCa Mg Pb\n2 1 1\ndirect\n0.739009 0.000001 0.000000 Ca\n0.260991 0.000000 0.000000 Ca\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.000000 Pb\n",
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{
"id": "jvasp-2997",
"created_at": "2022-09-04T14:36:57.038322Z",
"updated_at": "2022-09-04T14:36:57.038354Z",
"structure_string": "Sr1 Mg2 Sb2\n1.0\n2.363196 -4.093175 0.000000\n2.363196 4.093175 0.000000\n0.000000 0.000000 7.834092\nSr Mg Sb\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666668 0.333334 0.371677 Mg\n0.333334 0.666668 0.628322 Mg\n0.333334 0.666668 0.255519 Sb\n0.666668 0.333334 0.744481 Sb\n",
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