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{
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{
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"structure_string": "Ba3 Mo2 N2 O6\n1.0\n7.426170 -3.047113 0.000000\n7.426170 3.047113 0.000000\n6.175875 0.000000 5.127520\nBa Mo N O\n3 2 2 6\ndirect\n0.201553 0.201553 0.201553 Ba\n0.798447 0.798447 0.798447 Ba\n0.000000 0.000000 0.000000 Ba\n0.593530 0.593530 0.593530 Mo\n0.406470 0.406470 0.406470 Mo\n0.674235 0.674235 0.674235 N\n0.325765 0.325765 0.325765 N\n0.267697 0.267697 0.768148 O\n0.768148 0.267697 0.267697 O\n0.267697 0.768148 0.267697 O\n0.732303 0.732303 0.231852 O\n0.231852 0.732303 0.732303 O\n0.732303 0.231852 0.732303 O\n",
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{
"id": "mp-863711",
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"structure_string": "Er1 Ga1 Rh2\n1.0\n0.000000 3.216720 3.216720\n3.216720 0.000000 3.216720\n3.216720 3.216720 0.000000\nEr Ga Rh\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Er\n0.000000 0.000000 0.000000 Ga\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n",
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{
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{
"id": "mp-1407867",
"created_at": "2022-09-04T14:47:43.083874Z",
"structure_string": "Y2 Sn4 O8\n1.0\n-3.066193 3.066193 5.318341\n3.066193 -3.066193 5.318341\n3.066193 3.066193 -5.318341\nY Sn O\n2 4 8\ndirect\n0.000000 0.000000 0.000000 Y\n0.750000 0.250000 0.500000 Y\n0.375000 0.125000 0.750000 Sn\n0.375000 0.625000 0.250000 Sn\n0.875000 0.625000 0.250000 Sn\n0.375000 0.625000 0.750000 Sn\n0.125004 0.622126 0.848707 O\n0.773419 0.276297 0.151293 O\n0.624996 0.627874 0.651293 O\n0.976581 0.973703 0.348707 O\n0.372126 0.023419 0.997122 O\n0.026297 0.375004 0.002878 O\n0.723703 0.874996 0.497122 O\n0.377874 0.226581 0.502878 O\n",
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{
"id": "mp-972528",
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"structure_string": "Sm1 Y1 Ag2\n1.0\n0.000000 3.688334 3.688334\n3.688334 0.000000 3.688334\n3.688334 3.688334 0.000000\nSm Y Ag\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Sm\n0.000000 0.000000 0.000000 Y\n0.250000 0.250000 0.250000 Ag\n0.750000 0.750000 0.750000 Ag\n",
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{
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"created_at": "2022-09-04T14:47:43.262357Z",
"structure_string": "Y10 Sb2 Pd4\n1.0\n-3.887929 3.887929 6.892391\n3.887929 -3.887929 6.892391\n3.887929 3.887929 -6.892391\nY Sb Pd\n10 2 4\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.000000 Y\n0.799139 0.299139 0.812485 Y\n0.200861 0.700861 0.187515 Y\n0.486654 0.986654 0.187515 Y\n0.299139 0.486654 0.500000 Y\n0.013346 0.200861 0.500000 Y\n0.513346 0.013346 0.812485 Y\n0.700861 0.513346 0.500000 Y\n0.986654 0.799139 0.500000 Y\n0.250000 0.250000 0.000000 Sb\n0.750000 0.750000 0.000000 Sb\n0.135887 0.635887 0.771774 Pd\n0.864113 0.364113 0.228226 Pd\n0.635887 0.864113 0.500000 Pd\n0.364113 0.135887 0.500000 Pd\n",
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{
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{
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{
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{
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"updated_at": "2021-11-28T01:38:09.057000Z",
"spacegroup": 225
},
{
"id": "mp-1133325",
"created_at": "2022-09-04T14:47:42.644877Z",
"structure_string": "Na30 Lu6 Si24 O72\n1.0\n7.670295 -11.094816 0.000000\n7.670295 11.094816 0.000000\n-8.377971 0.000000 10.570618\nNa Lu Si O\n30 6 24 72\ndirect\n0.690757 0.586013 0.172413 Na\n0.357741 0.829920 0.865182 Na\n0.865182 0.357741 0.829920 Na\n0.255187 0.255187 0.255187 Na\n0.653760 0.657424 0.465000 Na\n0.413987 0.309243 0.827587 Na\n0.717129 0.000000 0.282871 Na\n0.642259 0.134818 0.170080 Na\n0.826847 0.818256 0.033267 Na\n0.657424 0.465000 0.653760 Na\n0.181744 0.173153 0.966733 Na\n0.170080 0.642259 0.134818 Na\n0.966733 0.181744 0.173153 Na\n0.173153 0.966733 0.181744 Na\n0.535000 0.342576 0.346240 Na\n0.465000 0.653760 0.657424 Na\n0.134818 0.170080 0.642259 Na\n0.033267 0.826847 0.818256 Na\n0.346240 0.535000 0.342576 Na\n0.172413 0.690757 0.586013 Na\n0.586013 0.172413 0.690757 Na\n0.309243 0.827587 0.413987 Na\n0.000000 0.282871 0.717129 Na\n0.282871 0.717129 0.000000 Na\n0.827587 0.413987 0.309243 Na\n0.829920 0.865182 0.357741 Na\n0.342576 0.346240 0.535000 Na\n0.000000 0.000000 0.000000 Na\n0.744813 0.744813 0.744813 Na\n0.818256 0.033267 0.826847 Na\n0.250833 0.000000 0.749167 Lu\n0.747597 0.252403 0.500000 Lu\n0.500000 0.747597 0.252403 Lu\n0.252403 0.500000 0.747597 Lu\n0.000000 0.749167 0.250833 Lu\n0.749167 0.250833 0.000000 Lu\n0.539362 0.817737 0.543109 Si\n0.059735 0.511718 0.254380 Si\n0.940265 0.745620 0.488282 Si\n0.313011 0.035008 0.041548 Si\n0.817737 0.543109 0.539362 Si\n0.488282 0.940265 0.745620 Si\n0.543109 0.539362 0.817737 Si\n0.557868 0.756330 0.016029 Si\n0.511718 0.254380 0.059735 Si\n0.686989 0.958452 0.964992 Si\n0.041548 0.313011 0.035008 Si\n0.964992 0.686989 0.958452 Si\n0.254380 0.059735 0.511718 Si\n0.243670 0.442132 0.983971 Si\n0.016029 0.557868 0.756330 Si\n0.958452 0.964992 0.686989 Si\n0.035008 0.041548 0.313011 Si\n0.756330 0.016029 0.557868 Si\n0.983971 0.243670 0.442132 Si\n0.442132 0.983971 0.243670 Si\n0.456891 0.182263 0.460638 Si\n0.182263 0.460638 0.456891 Si\n0.460638 0.456891 0.182263 Si\n0.745620 0.488282 0.940265 Si\n0.935815 0.781770 0.927083 O\n0.254084 0.949380 0.890805 O\n0.042561 0.329396 0.390023 O\n0.695315 0.914868 0.410513 O\n0.953526 0.099202 0.353865 O\n0.072917 0.218230 0.064185 O\n0.781770 0.927083 0.935815 O\n0.170622 0.115311 0.453629 O\n0.096040 0.647052 0.271287 O\n0.271287 0.096040 0.647052 O\n0.647052 0.271287 0.096040 O\n0.751343 0.391120 0.447907 O\n0.086512 0.809601 0.591562 O\n0.353865 0.953526 0.099202 O\n0.829378 0.546371 0.884689 O\n0.219645 0.406196 0.846724 O\n0.729144 0.579461 0.574943 O\n0.957439 0.609977 0.670604 O\n0.552093 0.608880 0.248657 O\n0.248657 0.552093 0.608880 O\n0.890805 0.254084 0.949380 O\n0.145064 0.543225 0.399227 O\n0.046474 0.646135 0.900798 O\n0.099202 0.353865 0.953526 O\n0.406196 0.846724 0.219645 O\n0.153276 0.593804 0.780355 O\n0.543225 0.399227 0.145064 O\n0.574943 0.729144 0.579461 O\n0.391120 0.447907 0.751343 O\n0.900798 0.046474 0.646135 O\n0.780355 0.153276 0.593804 O\n0.884689 0.829378 0.546371 O\n0.903960 0.728713 0.352948 O\n0.728713 0.352948 0.903960 O\n0.420539 0.270856 0.425057 O\n0.447907 0.751343 0.391120 O\n0.352948 0.903960 0.728713 O\n0.304685 0.589487 0.085132 O\n0.913488 0.408438 0.190399 O\n0.914868 0.410513 0.695315 O\n0.846724 0.219645 0.406196 O\n0.050620 0.745916 0.109195 O\n0.593804 0.780355 0.153276 O\n0.425057 0.420539 0.270856 O\n0.670604 0.957439 0.609977 O\n0.546371 0.884689 0.829378 O\n0.064185 0.072917 0.218230 O\n0.085132 0.304685 0.589487 O\n0.809601 0.591562 0.086512 O\n0.609977 0.670604 0.957439 O\n0.410513 0.695315 0.914868 O\n0.745916 0.109195 0.050620 O\n0.115311 0.453629 0.170622 O\n0.589487 0.085132 0.304685 O\n0.453629 0.170622 0.115311 O\n0.579461 0.574943 0.729144 O\n0.646135 0.900798 0.046474 O\n0.270856 0.425057 0.420539 O\n0.390023 0.042561 0.329396 O\n0.591562 0.086512 0.809601 O\n0.109195 0.050620 0.745916 O\n0.608880 0.248657 0.552093 O\n0.218230 0.064185 0.072917 O\n0.408438 0.190399 0.913488 O\n0.329396 0.390023 0.042561 O\n0.854936 0.600773 0.456775 O\n0.399227 0.145064 0.543225 O\n0.190399 0.913488 0.408438 O\n0.600773 0.456775 0.854936 O\n0.456775 0.854936 0.600773 O\n0.949380 0.890805 0.254084 O\n0.927083 0.935815 0.781770 O\n",
"nsites": 132,
"nelements": 4,
"elements": [
"Na",
"Lu",
"Si",
"O"
],
"chemical_system": "Lu-Na-O-Si",
"density": 3.2908452850402723,
"density_atomic": 0.07336879486150052,
"volume": 1799.1300013742705,
"volume_molar": 8.208040995314281,
"formula_full": "Na30 Lu6 Si24 O72",
"formula_reduced": "Na5Lu(SiO3)4",
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"energy": -949.30337321,
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"total_magnetization": 4.18e-05,
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"updated_at": "2021-11-28T01:38:19.066000Z",
"spacegroup": 155
}
]
}