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{
"id": "mp-1217279",
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{
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{
"id": "mp-1206424",
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"structure_string": "Sr1 Si2 Pt2\n1.0\n-2.151699 2.151699 5.096027\n2.151699 -2.151699 5.096027\n2.151699 2.151699 -5.096027\nSr Si Pt\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.373131 0.373131 0.000000 Si\n0.626869 0.626869 0.000000 Si\n0.750000 0.250000 0.500000 Pt\n0.250000 0.750000 0.500000 Pt\n",
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{
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"structure_string": "K4 Tm4 S8 O40\n1.0\n8.182121 0.000000 0.000000\n0.000000 10.044696 0.000000\n0.000000 1.662730 10.824167\nK Tm S O\n4 4 8 40\ndirect\n0.268984 0.910656 0.134045 K\n0.731016 0.089344 0.865955 K\n0.768984 0.589344 0.865955 K\n0.231016 0.410656 0.134045 K\n0.764346 0.967198 0.317992 Tm\n0.235654 0.032802 0.682008 Tm\n0.264346 0.532802 0.682008 Tm\n0.735654 0.467198 0.317992 Tm\n0.648423 0.689930 0.531659 S\n0.351577 0.310070 0.468341 S\n0.148423 0.810070 0.468341 S\n0.851577 0.189930 0.531659 S\n0.772705 0.793066 0.116746 S\n0.227295 0.206934 0.883254 S\n0.272705 0.706934 0.883254 S\n0.727295 0.293066 0.116746 S\n0.621444 0.852209 0.164426 O\n0.378556 0.147791 0.835574 O\n0.121444 0.647791 0.835574 O\n0.878556 0.352209 0.164426 O\n0.911319 0.853202 0.180739 O\n0.088681 0.146798 0.819261 O\n0.411319 0.646798 0.819261 O\n0.588681 0.353202 0.180739 O\n0.981661 0.872171 0.436334 O\n0.018339 0.127829 0.563666 O\n0.481661 0.627829 0.563666 O\n0.518339 0.372171 0.436334 O\n0.616783 0.811921 0.439144 O\n0.383217 0.188079 0.560856 O\n0.116783 0.688079 0.560856 O\n0.883217 0.311921 0.439144 O\n0.285560 0.679746 0.017592 O\n0.714440 0.320254 0.982408 O\n0.785560 0.820254 0.982408 O\n0.214440 0.179746 0.017592 O\n0.473455 0.551867 0.288371 O\n0.526545 0.448133 0.711629 O\n0.973455 0.948133 0.711629 O\n0.026545 0.051867 0.288371 O\n0.729935 0.721947 0.641025 O\n0.270065 0.278053 0.358975 O\n0.229935 0.778053 0.358975 O\n0.770065 0.221947 0.641025 O\n0.744995 0.592771 0.469972 O\n0.255005 0.407229 0.530028 O\n0.244995 0.907229 0.530028 O\n0.755005 0.092771 0.469972 O\n0.774577 0.642472 0.158582 O\n0.225423 0.357528 0.841418 O\n0.274577 0.857528 0.841418 O\n0.725423 0.142472 0.158582 O\n0.510730 0.967710 0.704560 O\n0.489270 0.032290 0.295440 O\n0.010730 0.532290 0.295440 O\n0.989270 0.467710 0.704560 O\n",
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{
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"structure_string": "K2 Nd4 Cu2 S8\n1.0\n2.036599 -6.966663 0.000000\n2.036599 6.966663 0.000000\n0.000000 0.000000 14.038781\nK Nd Cu S\n2 4 2 8\ndirect\n0.107632 0.892368 0.250000 K\n0.892368 0.107632 0.750000 K\n0.634610 0.365390 0.937475 Nd\n0.365390 0.634610 0.437475 Nd\n0.634610 0.365390 0.562525 Nd\n0.365390 0.634610 0.062525 Nd\n0.162398 0.837602 0.750000 Cu\n0.837602 0.162398 0.250000 Cu\n0.000000 0.000000 0.500000 S\n0.000000 0.000000 0.000000 S\n0.737237 0.262763 0.115105 S\n0.262763 0.737237 0.884895 S\n0.570082 0.429918 0.750000 S\n0.737237 0.262763 0.384895 S\n0.429918 0.570082 0.250000 S\n0.262763 0.737237 0.615105 S\n",
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{
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"structure_string": "Ag2 Pd1 Au1\n1.0\n-5.298592 5.582214 7.875646\n5.298592 -5.582214 7.875646\n5.298592 5.582214 -7.875646\nAg Pd Au\n2 1 1\ndirect\n0.000000 0.251149 0.251149 Ag\n0.000000 0.748851 0.748851 Ag\n0.000000 0.000000 0.000000 Pd\n0.000000 0.500000 0.500000 Au\n",
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{
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{
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"structure_string": "Ba4 Ti4 O4 F16\n1.0\n5.308560 0.000000 0.000000\n0.000000 5.605550 0.000000\n0.000000 0.000000 13.910165\nBa Ti O F\n4 4 4 16\ndirect\n0.251483 0.750000 0.593683 Ba\n0.251483 0.250000 0.906317 Ba\n0.748517 0.250000 0.406317 Ba\n0.748517 0.750000 0.093683 Ba\n0.186836 0.750000 0.323004 Ti\n0.186836 0.250000 0.176996 Ti\n0.813164 0.250000 0.676996 Ti\n0.813164 0.750000 0.823004 Ti\n0.052906 0.500000 0.250000 O\n0.947094 0.000000 0.750000 O\n0.947094 0.500000 0.750000 O\n0.052906 0.000000 0.250000 O\n0.097252 0.750000 0.912051 F\n0.097252 0.250000 0.587949 F\n0.902748 0.250000 0.087949 F\n0.902748 0.750000 0.412051 F\n0.320409 0.514951 0.418733 F\n0.320409 0.485049 0.081267 F\n0.679591 0.014951 0.581267 F\n0.679591 0.985049 0.918733 F\n0.679591 0.485049 0.581267 F\n0.679591 0.514951 0.918733 F\n0.320409 0.985049 0.418733 F\n0.320409 0.014951 0.081267 F\n0.505399 0.750000 0.264611 F\n0.505399 0.250000 0.235389 F\n0.494601 0.250000 0.735389 F\n0.494601 0.750000 0.764611 F\n",
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{
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"structure_string": "Li4 Cu4 P4 O16\n1.0\n4.861368 0.000000 0.000000\n0.000000 7.659808 0.000000\n0.000000 0.000000 8.998048\nLi Cu P O\n4 4 4 16\ndirect\n0.962423 0.041427 0.630220 Li\n0.462423 0.458573 0.130220 Li\n0.962423 0.541427 0.869780 Li\n0.462423 0.958573 0.369780 Li\n0.965435 0.165282 0.042410 Cu\n0.465435 0.334718 0.542410 Cu\n0.965435 0.665282 0.457590 Cu\n0.465435 0.834718 0.957590 Cu\n0.558344 0.228663 0.854590 P\n0.058344 0.271337 0.354590 P\n0.558344 0.728663 0.645410 P\n0.058344 0.771337 0.145410 P\n0.665361 0.053592 0.932180 O\n0.204848 0.135501 0.460516 O\n0.248452 0.250913 0.848946 O\n0.687137 0.225501 0.696389 O\n0.187137 0.274499 0.196389 O\n0.748452 0.249087 0.348946 O\n0.704848 0.364499 0.960516 O\n0.165361 0.446408 0.432180 O\n0.665361 0.553592 0.567820 O\n0.204848 0.635501 0.039484 O\n0.248452 0.750913 0.651054 O\n0.687137 0.725501 0.803611 O\n0.187137 0.774499 0.303611 O\n0.748452 0.749087 0.151054 O\n0.704848 0.864499 0.539484 O\n0.165361 0.946408 0.067820 O\n",
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{
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{
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"formula_full": "Cr1 W1 O3",
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"updated_at": "2021-11-28T01:35:15.940000Z",
"spacegroup": 146
},
{
"id": "mp-1095030",
"created_at": "2022-09-04T14:41:11.687946Z",
"structure_string": "B1 C7\n1.0\n3.620153 0.000000 0.000000\n0.000000 3.620153 0.000000\n0.000000 0.000000 3.620153\nB C\n1 7\ndirect\n0.000000 0.000000 0.000000 B\n0.000000 0.500000 0.500000 C\n0.500000 0.500000 0.000000 C\n0.500000 0.000000 0.500000 C\n0.745221 0.745221 0.254779 C\n0.745221 0.254779 0.745221 C\n0.254779 0.745221 0.745221 C\n0.254779 0.254779 0.254779 C\n",
"nsites": 8,
"nelements": 2,
"elements": [
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],
"chemical_system": "B-C",
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}
]
}