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{
"id": "jvasp-35738",
"created_at": "2022-09-04T14:37:19.802328Z",
"updated_at": "2022-09-04T14:37:19.802355Z",
"structure_string": "Ca1 Zn1 Se2\n1.0\n4.258464 0.000000 -0.000000\n0.000000 4.258464 0.000000\n-0.000000 0.000000 6.353971\nCa Zn Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.499999 0.499999 0.500000 Zn\n0.499999 0.000000 0.713113 Se\n0.000000 0.499999 0.286887 Se\n",
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{
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"structure_string": "Ba2 Ni2 O4\n1.0\n4.773687 0.000000 -0.000000\n0.000000 4.908657 -2.454065\n-0.000000 -0.037743 5.487798\nBa Ni O\n2 2 4\ndirect\n0.750000 0.344718 0.655283 Ba\n0.250000 0.655283 0.344717 Ba\n0.500000 0.000000 0.000000 Ni\n0.000000 0.000000 0.000000 Ni\n0.750000 0.860804 0.697516 O\n0.250000 0.139197 0.302485 O\n0.750000 0.302485 0.139197 O\n0.250000 0.697516 0.860803 O\n",
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{
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"structure_string": "Zr1 Hg1 Au2\n1.0\n-11.251701 2.892872 -1.772109\n-8.192858 0.692896 1.200198\n-6.807551 4.611129 -1.199218\nZr Hg Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 -0.000000 -0.000000 Hg\n0.749979 0.000013 0.000012 Au\n0.250021 -0.000013 -0.000013 Au\n",
"nsites": 4,
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"formula_full": "Zr1 Hg1 Au2",
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"spacegroup": 225
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{
"id": "jvasp-81343",
"created_at": "2022-09-04T14:37:06.036773Z",
"updated_at": "2022-09-04T14:37:06.036800Z",
"structure_string": "Li1 Mn1 Rh2\n1.0\n-6.748721 -1.862976 -6.938564\n-4.243019 -1.972238 -1.209041\n-2.955145 1.670405 -3.439681\nLi Mn Rh\n1 1 2\ndirect\n0.000001 0.000007 0.000007 Li\n0.500004 -0.000008 -0.000010 Mn\n0.749134 0.001621 0.001619 Rh\n0.250862 -0.001619 -0.001619 Rh\n",
"nsites": 4,
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"density": 8.760828229366151,
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"volume": 50.73832813802039,
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"formula_full": "Li1 Mn1 Rh2",
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"formula_anonymous": "ABC2",
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"spacegroup": 71
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{
"id": "jvasp-51395",
"created_at": "2022-09-04T14:37:06.206295Z",
"updated_at": "2022-09-04T14:37:06.206315Z",
"structure_string": "Ga4 H4 O8\n1.0\n3.005526 -0.000000 0.000000\n-0.000000 4.534518 0.000000\n0.000000 0.000000 9.897281\nGa H O\n4 4 8\ndirect\n0.250000 0.444549 0.356874 Ga\n0.250000 0.055451 0.856874 Ga\n0.750001 0.555452 0.643126 Ga\n0.750001 0.944549 0.143126 Ga\n0.250000 0.093110 0.592814 H\n0.250000 0.406890 0.092814 H\n0.750001 0.906890 0.407186 H\n0.750001 0.593110 0.907186 H\n0.250000 0.809530 0.692744 O\n0.250000 0.690471 0.192744 O\n0.750001 0.190471 0.307256 O\n0.750001 0.309529 0.807256 O\n0.250000 0.303993 0.557098 O\n0.250000 0.196007 0.057098 O\n0.750001 0.696007 0.442902 O\n0.750001 0.803993 0.942902 O\n",
"nsites": 16,
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"elements": [
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"volume": 134.88620009469457,
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"formula_full": "Ga4 H4 O8",
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{
"id": "jvasp-8776",
"created_at": "2022-09-04T14:37:06.051842Z",
"updated_at": "2022-09-04T14:37:06.051870Z",
"structure_string": "Li2 Bi2 S4\n1.0\n7.902435 -0.029009 0.041025\n7.927306 6.795939 0.028023\n3.951217 4.529332 3.233485\nLi Bi S\n2 2 4\ndirect\n-0.000044 0.000000 0.000087 Li\n0.750044 0.500000 -0.000087 Li\n0.249990 0.500000 0.000021 Bi\n0.500010 -0.000001 -0.000021 Bi\n0.504849 0.500000 0.490303 S\n0.245151 0.000000 0.509696 S\n0.995161 0.500000 0.509679 S\n0.754839 -0.000000 0.490322 S\n",
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"density": 5.352586293664984,
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"volume": 173.76134258925023,
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"formula_full": "Li2 Bi2 S4",
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{
"id": "jvasp-42857",
"created_at": "2022-09-04T14:37:06.060626Z",
"updated_at": "2022-09-04T14:37:06.060648Z",
"structure_string": "Pr2 Mg1 Tl1\n1.0\n0.000000 3.901333 3.901333\n3.901333 0.000000 3.901333\n3.901333 3.901333 -0.000000\nPr Mg Tl\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Pr\n0.250001 0.250001 0.250001 Mg\n0.750001 0.750001 0.750001 Tl\n",
"nsites": 4,
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],
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"formula_full": "Pr2 Mg1 Tl1",
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},
{
"id": "jvasp-12521",
"created_at": "2022-09-04T14:37:06.060270Z",
"updated_at": "2022-09-04T14:37:06.060297Z",
"structure_string": "Hg8 Cl4 O4\n1.0\n6.027899 0.000000 0.000000\n-3.013949 5.842823 -1.610186\n0.000000 0.044483 9.652417\nHg Cl O\n8 4 4\ndirect\n0.143076 0.895503 0.603756 Hg\n0.247572 0.104496 0.896244 Hg\n0.856924 0.104496 0.396244 Hg\n0.752427 0.895503 0.103756 Hg\n0.592991 -0.000000 0.750000 Hg\n0.407009 -0.000000 0.250000 Hg\n0.500000 0.500000 0.500000 Hg\n-0.000000 0.500000 -0.000000 Hg\n0.487238 0.389666 0.145673 Cl\n0.097572 0.610334 0.354327 Cl\n0.512761 0.610333 0.854327 Cl\n0.902427 0.389665 0.645673 Cl\n0.254095 0.156910 0.439734 O\n0.097184 0.843089 0.060265 O\n0.745905 0.843089 0.560265 O\n0.902816 0.156910 0.939734 O\n",
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"elements": [
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"formula_full": "Hg8 Cl4 O4",
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{
"id": "jvasp-80762",
"created_at": "2022-09-04T14:37:06.066299Z",
"updated_at": "2022-09-04T14:37:06.066326Z",
"structure_string": "Mg2 Hg1 Pb1\n1.0\n-11.457151 2.480397 -2.564892\n-8.349989 1.444979 1.078537\n-7.328116 4.335425 -0.691569\nMg Hg Pb\n2 1 1\ndirect\n0.715038 0.029439 0.029443 Mg\n0.284962 -0.029439 -0.029441 Mg\n0.000000 0.000000 0.000000 Hg\n0.500000 0.000000 0.000001 Pb\n",
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{
"id": "jvasp-11043",
"created_at": "2022-09-04T14:37:19.680077Z",
"updated_at": "2022-09-04T14:37:19.680090Z",
"structure_string": "Mg4 Ni4 O8\n1.0\n2.875858 0.004135 -0.000404\n1.413593 7.891427 0.419234\n1.428860 1.178476 8.218829\nMg Ni O\n4 4 8\ndirect\n0.363525 0.217484 0.052734 Mg\n0.636474 0.782517 0.947266 Mg\n0.070877 0.166845 0.693352 Mg\n0.929122 0.833156 0.306648 Mg\n0.642220 0.518489 0.198648 Ni\n0.251179 0.129723 0.367819 Ni\n0.748820 0.870278 0.632181 Ni\n0.357779 0.481513 0.801352 Ni\n0.798081 0.633888 0.769584 O\n0.342237 0.854451 0.460000 O\n0.657762 0.145550 0.540000 O\n0.201918 0.366114 0.230416 O\n0.088211 0.693189 0.133303 O\n0.868860 0.073766 0.185265 O\n0.911788 0.306812 0.866697 O\n0.131139 0.926236 0.814735 O\n",
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{
"id": "jvasp-81787",
"created_at": "2022-09-04T14:37:19.575227Z",
"updated_at": "2022-09-04T14:37:19.575252Z",
"structure_string": "Zn1 In1 Rh2\n1.0\n-8.932874 -0.000000 -5.157397\n-5.776932 -0.471184 -0.308854\n-4.681151 2.628155 -2.206803\nZn In Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zn\n0.500000 -0.000001 -0.000000 In\n0.762411 -0.000001 -0.000000 Rh\n0.237590 -0.000000 -0.000000 Rh\n",
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{
"id": "jvasp-81804",
"created_at": "2022-09-04T14:37:19.597495Z",
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"structure_string": "Li2 Ag1 As1\n1.0\n-8.568189 0.000000 -4.946845\n-5.734514 0.212765 0.038778\n-4.867865 2.664016 -1.462301\nLi Ag As\n2 1 1\ndirect\n0.757748 1.000000 1.000000 Li\n0.242252 -0.000000 0.000000 Li\n0.500000 -0.000001 0.000000 Ag\n0.000000 0.000000 0.000000 As\n",
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