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{
"id": "jvasp-108923",
"created_at": "2022-09-04T14:38:20.102447Z",
"updated_at": "2022-09-04T14:38:20.102467Z",
"structure_string": "Sr1 La1 Al1 O4\n1.0\n3.638187 0.009920 -5.775431\n-0.294905 3.626228 -5.775431\n-0.009121 -0.009920 6.825828\nSr La Al O\n1 1 1 4\ndirect\n0.642528 0.642528 0.000000 Sr\n0.358018 0.358018 0.000000 La\n0.005552 0.005552 0.000000 Al\n0.838868 0.838868 0.000000 O\n0.163368 0.163368 0.000000 O\n0.995834 0.495834 0.500001 O\n0.495833 0.995834 0.500000 O\n",
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{
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{
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"updated_at": "2022-09-04T14:37:03.151217Z",
"structure_string": "Mn12 Si4 Ir4\n1.0\n6.350925 0.000000 0.000000\n0.000000 6.350925 0.000000\n-0.000000 -0.000000 6.350925\nMn Si Ir\n12 4 4\ndirect\n0.549415 0.630461 0.289289 Mn\n0.950586 0.369540 0.789289 Mn\n0.210711 0.450585 0.130461 Mn\n0.289289 0.549415 0.630461 Mn\n0.369540 0.789289 0.950586 Mn\n0.130461 0.210711 0.450585 Mn\n0.450585 0.130461 0.210711 Mn\n0.710712 0.049415 0.869540 Mn\n0.869540 0.710712 0.049415 Mn\n0.049415 0.869540 0.710712 Mn\n0.789289 0.950586 0.369540 Mn\n0.630461 0.289289 0.549415 Mn\n0.942471 0.557530 0.442471 Si\n0.557530 0.442471 0.942471 Si\n0.442471 0.942471 0.557530 Si\n0.057530 0.057530 0.057530 Si\n0.812463 0.312462 0.187538 Ir\n0.312462 0.187538 0.812463 Ir\n0.187538 0.812463 0.312462 Ir\n0.687539 0.687539 0.687539 Ir\n",
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"volume": 256.1597862379477,
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"formula_full": "Mn12 Si4 Ir4",
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},
{
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"created_at": "2022-09-04T14:38:32.865187Z",
"updated_at": "2022-09-04T14:38:32.865219Z",
"structure_string": "Na6 Si3 F18\n1.0\n4.467965 -7.738743 -0.000000\n4.467965 7.738743 0.000000\n0.000000 0.000000 5.000589\nNa Si F\n6 3 18\ndirect\n0.000000 0.290339 0.500000 Na\n0.290339 0.000000 0.500000 Na\n0.709662 0.709662 0.500000 Na\n0.000000 0.624858 0.000000 Na\n0.624858 0.000000 0.000000 Na\n0.375142 0.375142 0.000000 Na\n0.333334 0.666667 0.506296 Si\n0.000000 0.000000 0.000000 Si\n0.666667 0.333334 0.493705 Si\n0.084824 0.902794 0.804038 F\n0.442976 0.595931 0.704484 F\n0.902794 0.084824 0.195962 F\n0.915177 0.817971 0.195962 F\n0.182030 0.097206 0.195962 F\n0.817971 0.915177 0.804038 F\n0.097206 0.182030 0.804038 F\n0.847045 0.404070 0.295516 F\n0.259066 0.485436 0.308490 F\n0.595931 0.442976 0.295516 F\n0.226371 0.740934 0.308490 F\n0.404070 0.847045 0.704484 F\n0.514565 0.773631 0.308490 F\n0.485436 0.259066 0.691510 F\n0.773631 0.514565 0.691510 F\n0.740934 0.226371 0.691510 F\n0.557025 0.152956 0.295516 F\n0.152956 0.557025 0.704484 F\n",
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{
"id": "jvasp-112959",
"created_at": "2022-09-04T14:38:45.732364Z",
"updated_at": "2022-09-04T14:38:45.732389Z",
"structure_string": "Ag4 Cl4 O16\n1.0\n5.480558 -0.000000 0.000000\n0.000000 7.051790 0.000000\n-0.000000 -0.000000 7.953277\nAg Cl O\n4 4 16\ndirect\n0.250000 0.180200 0.676899 Ag\n0.250000 0.319800 0.176899 Ag\n0.750000 0.819800 0.323101 Ag\n0.750000 0.680200 0.823101 Ag\n0.250000 0.681764 0.564577 Cl\n0.250000 0.818236 0.064577 Cl\n0.750000 0.318236 0.435423 Cl\n0.750000 0.181764 0.935423 Cl\n0.250000 0.574594 0.408424 O\n0.250000 0.925406 0.908424 O\n0.750000 0.054617 0.789792 O\n0.750000 0.445383 0.289792 O\n0.250000 0.945383 0.210208 O\n0.250000 0.554617 0.710209 O\n0.530373 0.195031 0.427949 O\n0.469628 0.804969 0.572051 O\n0.030373 0.804969 0.572051 O\n0.469628 0.695031 0.072051 O\n0.750000 0.074594 0.091576 O\n0.030373 0.695031 0.072051 O\n0.969628 0.195031 0.427949 O\n0.530373 0.304969 0.927950 O\n0.969628 0.304969 0.927950 O\n0.750000 0.425406 0.591577 O\n",
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],
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"formula_full": "Ag4 Cl4 O16",
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{
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"created_at": "2022-09-04T14:37:02.772755Z",
"updated_at": "2022-09-04T14:37:02.772785Z",
"structure_string": "Ca1 Ni1 F6\n1.0\n4.568630 0.119713 3.092164\n1.703358 4.240905 3.092164\n0.172187 0.119713 5.514001\nCa Ni F\n1 1 6\ndirect\n0.500001 0.500000 0.499999 Ca\n0.000000 0.000000 0.000000 Ni\n0.380814 0.043742 0.799102 F\n0.043743 0.799103 0.380812 F\n0.200899 0.619187 0.956256 F\n0.956258 0.200897 0.619186 F\n0.619187 0.956258 0.200896 F\n0.799102 0.380813 0.043742 F\n",
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"formula_full": "Ca1 Ni1 F6",
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"spacegroup": 148
},
{
"id": "jvasp-9973",
"created_at": "2022-09-04T14:37:19.574684Z",
"updated_at": "2022-09-04T14:37:19.574699Z",
"structure_string": "Li2 Ta2 Ge2 O10\n1.0\n5.263670 0.023819 -1.892107\n-1.057642 5.156373 -1.892107\n-0.011963 -0.014733 7.553262\nLi Ta Ge O\n2 2 2 10\ndirect\n0.693513 0.306487 0.250000 Li\n0.306488 0.693513 0.750000 Li\n0.000000 0.000000 0.000000 Ta\n0.000000 0.000000 0.500000 Ta\n0.637049 0.362952 0.750000 Ge\n0.362952 0.637049 0.250000 Ge\n0.755998 0.233892 0.554670 O\n0.244003 0.766108 0.445330 O\n0.233892 0.755997 0.054670 O\n0.309414 0.293448 0.152896 O\n0.932728 0.067272 0.250000 O\n0.067273 0.932728 0.750000 O\n0.706552 0.690586 0.347104 O\n0.293449 0.309414 0.652896 O\n0.690587 0.706552 0.847104 O\n0.766109 0.244003 0.945330 O\n",
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"formula_full": "Li2 Ta2 Ge2 O10",
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},
{
"id": "jvasp-12010",
"created_at": "2022-09-04T14:37:33.929428Z",
"updated_at": "2022-09-04T14:37:33.929454Z",
"structure_string": "Mo4 O12\n1.0\n3.711852 0.000000 0.000000\n0.000000 3.922015 0.000000\n0.000000 0.000000 14.075054\nMo O\n4 12\ndirect\n0.250001 0.426195 0.603651 Mo\n0.750000 0.573804 0.396348 Mo\n0.750000 0.926194 0.896348 Mo\n0.250001 0.073805 0.103651 Mo\n0.250001 0.466381 0.722375 O\n0.750000 0.533617 0.277626 O\n0.750000 0.966380 0.777625 O\n0.250001 0.033619 0.222375 O\n0.250001 0.499957 0.434098 O\n0.750000 0.500042 0.565903 O\n0.750000 -0.000042 0.065903 O\n0.250001 0.000042 0.934096 O\n0.250001 0.981493 0.587932 O\n0.750000 0.481494 0.912067 O\n0.750000 0.018506 0.412067 O\n0.250001 0.518505 0.087932 O\n",
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{
"id": "jvasp-30780",
"created_at": "2022-09-04T14:38:04.891847Z",
"updated_at": "2022-09-04T14:38:04.891862Z",
"structure_string": "Mg4 Ti12 O28\n1.0\n5.459642 0.000000 -0.000000\n0.000000 10.396875 0.000000\n-0.000000 0.000000 9.926486\nMg Ti O\n4 12 28\ndirect\n0.620150 0.750000 0.937100 Mg\n0.120150 0.250000 0.562901 Mg\n0.379849 0.250000 0.062900 Mg\n0.879849 0.750000 0.437100 Mg\n0.736030 0.970687 0.686341 Ti\n0.263970 0.470687 0.313659 Ti\n0.763970 0.529314 0.186341 Ti\n0.225140 0.750000 0.713286 Ti\n0.725140 0.250000 0.786715 Ti\n0.236030 0.029313 0.813659 Ti\n0.274859 0.750000 0.213285 Ti\n0.236030 0.470687 0.813659 Ti\n0.736030 0.529314 0.686341 Ti\n0.763970 0.970687 0.186341 Ti\n0.263970 0.029313 0.313659 Ti\n0.774859 0.250000 0.286715 Ti\n0.001637 0.616863 0.775477 O\n0.200508 0.750000 0.541733 O\n0.700508 0.250000 0.958267 O\n0.799491 0.250000 0.458267 O\n0.299491 0.750000 0.041733 O\n0.760736 0.906554 0.028834 O\n0.739264 0.593447 0.528835 O\n0.260736 0.093447 0.471166 O\n0.760736 0.593447 0.028834 O\n0.260736 0.406553 0.471166 O\n0.501637 0.383137 0.724523 O\n0.239264 0.406553 0.971166 O\n0.998363 0.116863 0.224523 O\n0.525668 0.122774 0.217321 O\n0.998363 0.383137 0.224523 O\n0.498363 0.616863 0.275477 O\n0.001637 0.883137 0.775477 O\n0.501637 0.116863 0.724523 O\n0.474331 0.622774 0.782680 O\n0.974331 0.377226 0.717321 O\n0.239264 0.093447 0.971166 O\n0.025669 0.877227 0.282679 O\n0.525668 0.377226 0.217321 O\n0.025669 0.622774 0.282679 O\n0.474331 0.877227 0.782680 O\n0.974331 0.122774 0.717321 O\n0.498363 0.883137 0.275477 O\n0.739264 0.906554 0.528835 O\n",
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{
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"created_at": "2022-09-04T14:38:13.112491Z",
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"structure_string": "Mg4 Cu2 N4\n1.0\n4.024093 -0.001012 -0.003934\n-2.010650 5.332325 0.037813\n-2.006530 -1.665019 5.958566\nMg Cu N\n4 2 4\ndirect\n0.854274 0.182523 0.524858 Mg\n0.146225 0.819273 0.472033 Mg\n0.690710 0.646902 0.733391 Mg\n0.309810 0.354927 0.263513 Mg\n0.532390 0.174285 0.889230 Cu\n0.468149 0.827516 0.107662 Cu\n0.419851 0.242787 0.595749 N\n0.580668 0.759032 0.401160 N\n0.716972 0.236027 0.196722 N\n0.283542 0.765784 0.800178 N\n",
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{
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{
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"updated_at": "2022-09-04T14:37:02.933173Z",
"structure_string": "Nd2 Ni1 O4\n1.0\n3.583071 -0.000000 -1.078199\n-0.324445 3.568352 -1.078199\n0.129742 0.142073 6.923891\nNd Ni O\n2 1 4\ndirect\n0.636643 0.636643 0.273288 Nd\n0.363356 0.363356 0.726712 Nd\n0.000000 0.000000 0.000000 Ni\n0.818688 0.818689 0.637378 O\n0.181311 0.181309 0.362622 O\n0.999998 0.500000 -0.000000 O\n0.500001 0.000000 -0.000000 O\n",
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]
}