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{
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{
"id": "jvasp-108999",
"created_at": "2022-09-04T14:37:46.540336Z",
"updated_at": "2022-09-04T14:37:46.540357Z",
"structure_string": "Rb2 Hg1 Au1 Br6\n1.0\n6.726338 -0.000000 3.883453\n2.242113 6.341652 3.883453\n-0.000000 -0.000000 7.766906\nRb Hg Au Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Au\n0.755362 0.244638 0.244638 Br\n0.244638 0.244638 0.755362 Br\n0.244638 0.755362 0.755362 Br\n0.244638 0.755362 0.244638 Br\n0.755362 0.244638 0.755362 Br\n0.755362 0.755362 0.244638 Br\n",
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{
"id": "jvasp-40849",
"created_at": "2022-09-04T14:37:45.765739Z",
"updated_at": "2022-09-04T14:37:45.765760Z",
"structure_string": "Pm1 Mg1 Zn2\n1.0\n0.000000 3.460593 3.460593\n3.460593 -0.000000 3.460593\n3.460593 3.460593 0.000000\nPm Mg Zn\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Pm\n0.250000 0.250000 0.250000 Mg\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n",
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{
"id": "jvasp-39904",
"created_at": "2022-09-04T14:37:45.032095Z",
"updated_at": "2022-09-04T14:37:45.032104Z",
"structure_string": "Lu1 Cd1 Hg2\n1.0\n0.000000 3.550879 3.550879\n3.550879 0.000000 3.550879\n3.550879 3.550879 0.000000\nLu Cd Hg\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Lu\n0.250001 0.250001 0.250001 Cd\n0.000000 0.000000 0.000000 Hg\n0.499999 0.499999 0.499999 Hg\n",
"nsites": 4,
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"elements": [
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"Cd",
"Hg"
],
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"density_atomic": 0.04467066061889771,
"volume": 89.54423204361161,
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"formula_full": "Lu1 Cd1 Hg2",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
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{
"id": "jvasp-108995",
"created_at": "2022-09-04T14:37:46.339817Z",
"updated_at": "2022-09-04T14:37:46.339841Z",
"structure_string": "Na2 Nd1 Cu1 Cl6\n1.0\n6.342937 -0.000000 3.662096\n2.114312 5.980179 3.662096\n-0.000000 -0.000000 7.324193\nNa Nd Cu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 Cu\n0.739647 0.260353 0.260354 Cl\n0.260353 0.260353 0.739647 Cl\n0.260353 0.739647 0.739647 Cl\n0.260353 0.739647 0.260354 Cl\n0.739647 0.260353 0.739647 Cl\n0.739647 0.739647 0.260354 Cl\n",
"nsites": 10,
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"elements": [
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"Cl"
],
"chemical_system": "Cl-Cu-Na-Nd",
"density": 2.7881935675253136,
"density_atomic": 0.03599445802199699,
"volume": 277.8205465377138,
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"formula_full": "Na2 Nd1 Cu1 Cl6",
"formula_reduced": "Na2NdCuCl6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-25015",
"created_at": "2022-09-04T14:37:46.713828Z",
"updated_at": "2022-09-04T14:37:46.713846Z",
"structure_string": "K4 Sn1 Sb2 F14\n1.0\n6.714871 -0.004058 -0.019419\n-3.202407 6.730780 -0.022452\n-0.210850 -0.473142 7.588216\nK Sn Sb F\n4 1 2 14\ndirect\n0.282538 0.553201 0.145083 K\n0.851913 0.730206 0.413268 K\n0.717461 0.446799 0.854918 K\n0.148087 0.269794 0.586733 K\n0.000000 0.000000 0.000000 Sn\n0.402764 0.817168 0.688530 Sb\n0.597235 0.182832 0.311470 Sb\n0.594710 0.426306 0.181543 F\n0.405290 0.573695 0.818457 F\n0.154751 0.142404 0.229612 F\n0.080186 0.626961 0.672128 F\n0.845248 0.857596 0.770389 F\n0.052630 0.764432 0.063378 F\n0.714551 0.886792 0.122511 F\n0.947370 0.235568 0.936623 F\n0.721362 0.057083 0.509819 F\n0.429082 0.657517 0.480987 F\n0.285449 0.113208 0.877490 F\n0.919813 0.373039 0.327873 F\n0.278638 0.942917 0.490182 F\n0.570918 0.342483 0.519014 F\n",
"nsites": 21,
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"elements": [
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"volume": 342.73248870914625,
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"formula_full": "K4 Sn1 Sb2 F14",
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{
"id": "jvasp-39894",
"created_at": "2022-09-04T14:37:44.366387Z",
"updated_at": "2022-09-04T14:37:44.366410Z",
"structure_string": "Yb1 Pr1 Hg2\n1.0\n0.000000 3.772940 3.772940\n3.772940 0.000000 3.772940\n3.772940 3.772940 0.000000\nYb Pr Hg\n1 1 2\ndirect\n0.749999 0.749999 0.749999 Yb\n0.249999 0.249999 0.249999 Pr\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 4,
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"Hg"
],
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"density_atomic": 0.037238338833666625,
"volume": 107.4161771250564,
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"formula_full": "Yb1 Pr1 Hg2",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
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{
"id": "jvasp-40320",
"created_at": "2022-09-04T14:37:44.188881Z",
"updated_at": "2022-09-04T14:37:44.188897Z",
"structure_string": "Sm1 Ag1 Hg2\n1.0\n0.000000 3.574508 3.574508\n3.574508 0.000000 3.574508\n3.574508 3.574508 0.000000\nSm Ag Hg\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Sm\n0.250001 0.250001 0.250001 Ag\n0.000000 0.000000 0.000000 Hg\n0.500001 0.500001 0.500001 Hg\n",
"nsites": 4,
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"elements": [
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"Ag",
"Hg"
],
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"density": 11.987389727657249,
"density_atomic": 0.043790628208673923,
"volume": 91.3437455370346,
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"spacegroup": 225
},
{
"id": "jvasp-39158",
"created_at": "2022-09-04T14:37:45.275857Z",
"updated_at": "2022-09-04T14:37:45.275875Z",
"structure_string": "Hg3 As1\n1.0\n-2.078608 2.078608 5.668814\n2.078608 -2.078608 5.668814\n2.078608 2.078608 -5.668814\nHg As\n3 1\ndirect\n0.749998 0.250000 0.499998 Hg\n0.250000 0.749998 0.499998 Hg\n0.500001 0.500001 0.000000 Hg\n0.000000 0.000000 0.000000 As\n",
"nsites": 4,
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"elements": [
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"density": 11.469447430959553,
"density_atomic": 0.04082842281034855,
"volume": 97.97096543700293,
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"formula_full": "Hg3 As1",
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"formula_anonymous": "AB3",
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"spacegroup": 139
},
{
"id": "jvasp-20907",
"created_at": "2022-09-04T14:37:45.178192Z",
"updated_at": "2022-09-04T14:37:45.178213Z",
"structure_string": "Rb1 Ca1 F3\n1.0\n4.473079 -0.000000 0.000000\n0.000000 4.473079 -0.000000\n0.000000 0.000000 4.473079\nRb Ca F\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Ca\n0.500000 0.000000 0.500000 F\n0.500000 0.500000 0.000000 F\n0.000000 0.500000 0.500000 F\n",
"nsites": 5,
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"elements": [
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"F"
],
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"density": 3.386802256420674,
"density_atomic": 0.055866350159321315,
"volume": 89.49931373252149,
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"formula_anonymous": "ABC3",
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"spacegroup": 221
},
{
"id": "jvasp-40288",
"created_at": "2022-09-04T14:37:47.046421Z",
"updated_at": "2022-09-04T14:37:47.046432Z",
"structure_string": "Sr1 Cd1 Hg2\n1.0\n-0.000000 3.761821 3.761821\n3.761821 -0.000000 3.761821\n3.761821 3.761821 -0.000000\nSr Cd Hg\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Sr\n0.249999 0.249999 0.249999 Cd\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 4,
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"formula_anonymous": "ABC2",
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{
"id": "jvasp-108982",
"created_at": "2022-09-04T14:37:46.181521Z",
"updated_at": "2022-09-04T14:37:46.181546Z",
"structure_string": "K2 Nd1 Ag1 I6\n1.0\n7.420919 -0.000000 4.284470\n2.473640 6.996510 4.284470\n-0.000000 -0.000000 8.568939\nK Nd Ag I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 0.000000 Ag\n0.754200 0.245800 0.245800 I\n0.245800 0.245800 0.754200 I\n0.245800 0.754200 0.754200 I\n0.245800 0.754200 0.245800 I\n0.754200 0.245800 0.754200 I\n0.754200 0.754200 0.245800 I\n",
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},
{
"id": "jvasp-38452",
"created_at": "2022-09-04T14:37:46.139735Z",
"updated_at": "2022-09-04T14:37:46.139764Z",
"structure_string": "Pr1 Mg1 Tl2\n1.0\n0.000000 3.788528 3.788528\n3.788528 0.000000 3.788528\n3.788528 3.788528 0.000000\nPr Mg Tl\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Pr\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Tl\n",
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}
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