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{
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{
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{
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"structure_string": "Bi4 Sb4 S12\n1.0\n3.968885 0.000000 0.000000\n0.000000 11.205584 0.000000\n0.000000 0.000000 11.867692\nBi Sb S\n4 4 12\ndirect\n0.250000 0.169771 0.515716 Bi\n0.250000 0.330229 0.015716 Bi\n0.750000 0.830229 0.484284 Bi\n0.750000 0.669771 0.984284 Bi\n0.750000 0.461807 0.646222 Sb\n0.750000 0.038193 0.146222 Sb\n0.250000 0.538193 0.353778 Sb\n0.250000 0.961807 0.853778 Sb\n0.250000 0.625428 0.546277 S\n0.250000 0.874572 0.046277 S\n0.750000 0.374572 0.453723 S\n0.750000 0.125428 0.953723 S\n0.750000 0.056152 0.622455 S\n0.750000 0.443848 0.122455 S\n0.250000 0.943848 0.377545 S\n0.250000 0.556152 0.877545 S\n0.250000 0.313182 0.702334 S\n0.250000 0.186818 0.202334 S\n0.750000 0.686818 0.297666 S\n0.750000 0.813182 0.797666 S\n",
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"formula_full": "Bi4 Sb4 S12",
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{
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"structure_string": "Th2 Hg4\n1.0\n2.465165 -4.269791 0.000000\n2.465165 4.269791 0.000000\n0.000000 0.000000 7.521558\nTh Hg\n2 4\ndirect\n0.000000 0.000000 0.250000 Th\n0.000000 0.000000 0.750000 Th\n0.333333 0.666667 0.041552 Hg\n0.666667 0.333333 0.541552 Hg\n0.666667 0.333333 0.958448 Hg\n0.333333 0.666667 0.458448 Hg\n",
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{
"id": "mp-978511",
"created_at": "2022-09-04T14:41:53.774991Z",
"structure_string": "Sm1 Pa3\n1.0\n4.726050 0.000000 0.000000\n0.000000 4.726050 0.000000\n0.000000 0.000000 4.726050\nSm Pa\n1 3\ndirect\n0.000000 0.000000 0.000000 Sm\n0.000000 0.500000 0.500000 Pa\n0.500000 0.000000 0.500000 Pa\n0.500000 0.500000 0.000000 Pa\n",
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"spacegroup": 221
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{
"id": "mp-982387",
"created_at": "2022-09-04T14:45:39.654492Z",
"structure_string": "Pm2 Zn1 Hg1\n1.0\n0.000000 3.751008 3.751008\n3.751008 0.000000 3.751008\n3.751008 3.751008 0.000000\nPm Zn Hg\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Pm\n0.750000 0.750000 0.750000 Pm\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Hg\n",
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"density": 8.746798888417079,
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"formula_full": "Pm2 Zn1 Hg1",
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{
"id": "mp-1225213",
"created_at": "2022-09-04T14:43:07.242375Z",
"structure_string": "Gd16 Mg2 Al2 Ni4\n1.0\n-6.816833 -0.040778 -6.813300\n6.819353 -6.821908 -0.043326\n-6.813448 -6.816058 -0.044078\nGd Mg Al Ni\n16 2 2 4\ndirect\n0.693005 0.347956 0.957449 Gd\n0.305760 0.348127 0.345677 Gd\n0.301790 0.954746 0.347253 Gd\n0.698084 0.351210 0.348368 Gd\n0.379544 0.190362 0.810847 Gd\n0.998870 0.810039 0.809998 Gd\n0.001866 0.187029 0.813459 Gd\n0.620164 0.809211 0.187850 Gd\n0.000844 0.189755 0.189899 Gd\n0.001188 0.807047 0.193291 Gd\n0.128799 0.563773 0.939719 Gd\n0.495922 0.931415 0.940489 Gd\n0.499522 0.564572 0.937280 Gd\n0.869292 0.930738 0.565597 Gd\n0.503153 0.563708 0.565668 Gd\n0.499042 0.934259 0.565498 Gd\n0.845613 0.271912 0.574476 Mg\n0.154396 0.580758 0.573405 Mg\n0.155241 0.580992 0.263085 Al\n0.846175 0.582418 0.572008 Al\n0.284409 0.141154 0.573307 Ni\n0.715919 0.142529 0.142096 Ni\n0.718208 0.574608 0.141369 Ni\n0.283194 0.141682 0.141912 Ni\n",
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{
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"created_at": "2022-09-04T14:43:24.656728Z",
"structure_string": "Cs2 Cu1 Au1 Cl6\n1.0\n0.000000 5.090872 5.090872\n5.090872 0.000000 5.090872\n5.090872 5.090872 0.000000\nCs Cu Au Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Au\n0.742826 0.257174 0.257174 Cl\n0.257174 0.257174 0.742826 Cl\n0.257174 0.742826 0.742826 Cl\n0.257174 0.742826 0.257174 Cl\n0.742826 0.257174 0.742826 Cl\n0.742826 0.742826 0.257174 Cl\n",
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{
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{
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{
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{
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}