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{
"id": "jvasp-50222",
"created_at": "2022-09-04T14:36:57.409230Z",
"updated_at": "2022-09-04T14:36:57.409252Z",
"structure_string": "Ca4 Pr2 O8\n1.0\n3.614849 0.000000 0.000000\n0.000000 5.950256 0.000000\n0.000000 -0.000000 9.902252\nCa Pr O\n4 2 8\ndirect\n0.500000 0.058229 0.324720 Ca\n0.500000 0.441771 0.824720 Ca\n0.500000 0.558230 0.175280 Ca\n0.500000 0.941771 0.675280 Ca\n0.000000 0.000000 0.000000 Pr\n0.000000 0.500000 0.500000 Pr\n0.000000 0.164949 0.783301 O\n0.500000 0.252673 0.037700 O\n0.500000 0.247328 0.537700 O\n0.000000 0.335051 0.283301 O\n0.000000 0.664950 0.716699 O\n0.500000 0.752673 0.462300 O\n0.500000 0.747328 0.962300 O\n0.000000 0.835051 0.216699 O\n",
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{
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"structure_string": "Sm2 Zn6 P6\n1.0\n2.016775 -3.493157 -0.000000\n2.016775 3.493157 -0.000000\n-0.000000 0.000000 20.041530\nSm Zn P\n2 6 6\ndirect\n0.000000 0.000000 0.500000 Sm\n0.000000 0.000000 0.000000 Sm\n0.666666 0.333332 0.750000 Zn\n0.333332 0.666666 0.250000 Zn\n0.666666 0.333332 0.371276 Zn\n0.333332 0.666666 0.871276 Zn\n0.333332 0.666666 0.628724 Zn\n0.666666 0.333332 0.128724 Zn\n0.666666 0.333332 0.250000 P\n0.333332 0.666666 0.750000 P\n0.333332 0.666666 0.414274 P\n0.666666 0.333332 0.914274 P\n0.666666 0.333332 0.585727 P\n0.333332 0.666666 0.085727 P\n",
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{
"id": "jvasp-85006",
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"structure_string": "Na2 Mn4 O8\n1.0\n4.861160 0.000000 -0.993175\n0.000000 5.713556 0.000000\n0.289904 0.000000 5.782512\nNa Mn O\n2 4 8\ndirect\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Na\n-0.000000 0.000000 0.500000 Mn\n0.500000 0.752060 0.500000 Mn\n0.500000 0.247941 0.500000 Mn\n-0.000000 0.500000 0.500000 Mn\n0.200347 0.752614 0.682419 O\n0.799653 0.247387 0.317581 O\n0.799653 0.752614 0.317581 O\n0.200347 0.247387 0.682419 O\n0.696669 0.500000 0.673742 O\n0.303331 0.500000 0.326258 O\n0.697773 0.000000 0.673975 O\n0.302227 0.000000 0.326026 O\n",
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"volume": 162.25151463033268,
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"formula_full": "Na2 Mn4 O8",
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{
"id": "jvasp-13354",
"created_at": "2022-09-04T14:36:57.306411Z",
"updated_at": "2022-09-04T14:36:57.306437Z",
"structure_string": "Nd4 Cd2 S8\n1.0\n7.430418 0.166407 -0.000000\n-2.319917 7.060933 -0.000001\n-2.555251 -3.613670 5.970838\nNd Cd S\n4 2 8\ndirect\n0.114315 0.750000 0.864315 Nd\n0.250000 0.614315 0.364315 Nd\n0.385686 0.250000 0.635686 Nd\n0.750000 0.885686 0.135686 Nd\n0.625000 0.375000 0.250000 Cd\n0.875001 0.125001 0.750000 Cd\n0.006557 0.879535 0.513165 S\n0.120465 0.133629 0.127022 S\n0.379535 0.506558 0.013165 S\n0.493443 0.006607 0.872978 S\n0.633629 0.620465 0.627023 S\n0.506607 0.993442 0.372978 S\n0.866371 0.493394 0.986836 S\n0.993394 0.366371 0.486836 S\n",
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{
"id": "jvasp-104164",
"created_at": "2022-09-04T14:36:58.407127Z",
"updated_at": "2022-09-04T14:36:58.407154Z",
"structure_string": "H5 C6 S1 N1 O1\n1.0\n3.952645 -0.061503 -0.113383\n-2.398073 5.413692 -1.017654\n-0.086849 -0.004689 6.516146\nH C S N O\n5 6 1 1 1\ndirect\n0.863478 0.158449 0.026278 H\n0.469443 0.370324 0.814763 H\n0.136795 0.360977 0.453107 H\n0.515764 0.180471 0.180653 H\n0.227743 0.707873 0.911749 H\n0.288362 0.202096 0.703735 C\n0.106323 0.195409 0.512209 C\n0.881033 0.956148 0.400901 C\n0.201820 0.962362 0.741814 C\n0.597326 0.047782 0.081484 C\n0.644523 0.864915 0.208182 C\n0.898391 0.732467 0.537538 S\n0.312361 0.892979 0.908478 N\n0.464775 0.634599 0.138151 O\n",
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{
"id": "jvasp-13303",
"created_at": "2022-09-04T14:37:04.185513Z",
"updated_at": "2022-09-04T14:37:04.185535Z",
"structure_string": "Fe4 Ni2 O8\n1.0\n5.031116 -0.056614 2.903440\n1.649982 4.666854 2.857853\n-0.001106 -0.056614 5.808794\nFe Ni O\n4 2 8\ndirect\n0.993782 0.006219 0.993781 Fe\n0.256217 0.243783 0.256217 Fe\n0.625000 0.125001 0.624999 Fe\n0.624999 0.625001 0.624999 Fe\n0.124999 0.625000 0.625000 Ni\n0.625000 0.625000 0.125000 Ni\n0.392319 0.368849 0.392319 O\n0.393820 0.379065 0.848049 O\n0.392319 0.846512 0.392319 O\n0.848050 0.379065 0.393820 O\n0.401949 0.870936 0.856179 O\n0.857680 0.403489 0.857680 O\n0.856179 0.870936 0.401949 O\n0.857680 0.881152 0.857680 O\n",
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{
"id": "jvasp-13357",
"created_at": "2022-09-04T14:36:58.461147Z",
"updated_at": "2022-09-04T14:36:58.461164Z",
"structure_string": "Li7 Nb1 O6\n1.0\n5.540555 0.002695 0.003926\n2.768010 4.799543 0.002306\n2.766139 1.600317 4.912301\nLi Nb O\n7 1 6\ndirect\n0.504982 0.875823 0.346127 Li\n0.769081 0.507354 0.652160 Li\n0.071493 0.766580 0.652174 Li\n0.347573 0.345082 0.959846 Li\n0.878327 0.270693 0.346092 Li\n0.273220 0.502507 0.346079 Li\n0.509850 0.069020 0.652184 Li\n-0.000037 0.997465 0.002710 Nb\n0.364646 0.764183 0.753997 O\n0.929723 0.617834 0.246740 O\n0.205826 0.927219 0.246725 O\n0.766688 0.114790 0.754004 O\n0.117272 0.362156 0.753999 O\n0.620347 0.203299 0.246773 O\n",
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{
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"created_at": "2022-09-04T14:37:05.236380Z",
"updated_at": "2022-09-04T14:37:05.236412Z",
"structure_string": "Na4 S2 O8\n1.0\n2.469415 -4.277151 -0.000000\n2.469415 4.277151 0.000000\n0.000000 -0.000000 8.167845\nNa S O\n4 2 8\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.666668 0.333334 0.959230 Na\n0.333334 0.666668 0.040769 Na\n0.333334 0.666668 0.715837 S\n0.666668 0.333334 0.284163 S\n0.690594 0.845297 0.229774 O\n0.154705 0.309408 0.229774 O\n0.154706 0.845296 0.229774 O\n0.845296 0.154706 0.770226 O\n0.845297 0.690594 0.770226 O\n0.309408 0.154705 0.770226 O\n0.333334 0.666668 0.539553 O\n0.666668 0.333334 0.460447 O\n",
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{
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"created_at": "2022-09-04T14:37:04.402404Z",
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"structure_string": "Ga4 Hg2 O8\n1.0\n-0.000000 4.399395 4.399395\n4.399395 -0.000000 4.399395\n4.399395 4.399395 -0.000000\nGa Hg O\n4 2 8\ndirect\n0.500001 0.500001 0.000000 Ga\n0.500001 0.000000 0.500001 Ga\n0.000000 0.500001 0.500001 Ga\n0.500001 0.500001 0.500001 Ga\n0.125000 0.125000 0.125000 Hg\n0.875001 0.875001 0.875001 Hg\n0.270161 0.270161 0.270161 O\n0.689518 0.270161 0.270161 O\n0.729840 0.729840 0.310483 O\n0.729840 0.310483 0.729840 O\n0.270161 0.689518 0.270161 O\n0.270161 0.270161 0.689518 O\n0.310483 0.729840 0.729840 O\n0.729840 0.729840 0.729840 O\n",
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"structure_string": "Cr4 Cu2 Se8\n1.0\n6.361038 -0.000000 3.672547\n2.120346 5.997244 3.672547\n0.000000 0.000000 7.345095\nCr Cu Se\n4 2 8\ndirect\n0.500001 0.500000 0.500000 Cr\n0.500001 0.500000 0.000000 Cr\n0.000000 0.500000 0.500000 Cr\n0.500000 -0.000000 0.500000 Cr\n0.875001 0.874999 0.875000 Cu\n0.125000 0.125000 0.125000 Cu\n0.257679 0.257679 0.257679 Se\n0.742322 0.742321 0.273038 Se\n0.273038 0.742321 0.742321 Se\n0.742322 0.273037 0.742321 Se\n0.726963 0.257679 0.257679 Se\n0.257680 0.726962 0.257679 Se\n0.257679 0.257679 0.726962 Se\n0.742322 0.742321 0.742321 Se\n",
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{
"id": "jvasp-50841",
"created_at": "2022-09-04T14:36:47.879326Z",
"updated_at": "2022-09-04T14:36:47.879340Z",
"structure_string": "Mg2 Ga4 O8\n1.0\n0.000000 4.204874 4.204874\n4.204874 0.000000 4.204874\n4.192160 4.192160 0.012715\nMg Ga O\n2 4 8\ndirect\n0.121261 0.121261 0.136218 Mg\n0.498273 0.498273 0.005180 Mg\n0.497229 0.009596 0.495943 Ga\n0.009596 0.497229 0.495943 Ga\n0.497229 0.497229 0.495943 Ga\n0.879988 0.879988 0.860034 Ga\n0.718851 0.254963 0.271221 O\n0.254963 0.254963 0.271221 O\n0.254963 0.718851 0.271221 O\n0.257759 0.257759 0.726720 O\n0.745007 0.745007 0.264974 O\n0.745817 0.273233 0.735128 O\n0.745817 0.745817 0.735128 O\n0.273233 0.745817 0.735128 O\n",
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{
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"created_at": "2022-09-04T14:37:04.568282Z",
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"structure_string": "Al2 Co4 O8\n1.0\n-4.062497 4.056327 -0.008421\n4.062497 -0.008421 4.056327\n4.062497 4.056327 -0.008421\nAl Co O\n2 4 8\ndirect\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.000000 -0.000000 Co\n0.123898 0.250000 0.126103 Co\n0.500001 0.500001 0.500000 Co\n0.876104 0.750001 0.873898 Co\n0.740038 0.028769 0.731195 O\n0.740038 0.471232 0.288731 O\n0.741584 0.476782 0.735200 O\n0.288020 0.023218 0.735200 O\n0.711982 0.976783 0.264801 O\n0.258417 0.523219 0.264801 O\n0.259964 0.971232 0.268806 O\n0.259964 0.528769 0.711270 O\n",
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]
}