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{
"id": "jvasp-46700",
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"structure_string": "Li12 Mn2 O4 F8\n1.0\n5.541933 0.055978 -0.019391\n-2.261672 -6.597883 0.002325\n-0.030842 0.007708 -8.250604\nLi Mn O F\n12 2 4 8\ndirect\n0.978475 0.006736 0.346201 Li\n0.587314 0.178625 0.159412 Li\n0.307324 0.329004 0.297214 Li\n0.693479 0.170773 0.796266 Li\n0.587961 0.678509 0.339629 Li\n0.020529 0.494013 0.846201 Li\n-0.020529 0.505986 0.153799 Li\n0.412039 0.321490 0.660371 Li\n0.306521 0.829226 0.203734 Li\n0.692676 0.670995 0.702786 Li\n0.412685 0.821374 0.840587 Li\n0.021525 0.993263 0.653799 Li\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.227544 0.076358 0.182008 O\n0.771907 0.423878 0.681663 O\n0.228093 0.576121 0.318337 O\n0.772456 0.923641 0.817992 O\n0.668507 0.438436 0.273647 F\n0.853174 0.292723 0.004025 F\n0.853226 0.792818 0.495413 F\n0.667933 0.938582 0.225870 F\n0.332067 0.061416 0.774130 F\n0.146774 0.207181 0.504587 F\n0.146826 0.707276 -0.004025 F\n0.331492 0.561563 0.726353 F\n",
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{
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{
"id": "jvasp-39018",
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"structure_string": "Zn6 P4 O16\n1.0\n0.000000 4.930331 0.039510\n9.314353 0.000000 0.000000\n0.000000 -4.899345 -6.524862\nZn P O\n6 4 16\ndirect\n0.832547 0.370621 0.840851 Zn\n0.167451 0.870621 0.659149 Zn\n0.167452 0.629379 0.159149 Zn\n0.832548 0.129379 0.340851 Zn\n0.000000 0.000000 0.000000 Zn\n-0.000001 0.500000 0.500000 Zn\n0.661641 0.816286 0.160649 P\n0.338358 0.316287 0.339351 P\n0.661641 0.683713 0.660649 P\n0.338357 0.183713 0.839351 P\n0.941221 0.678134 0.626899 O\n0.680680 0.120972 0.031668 O\n0.319319 0.620972 0.468331 O\n0.941222 0.821865 0.126899 O\n0.058777 0.321865 0.373101 O\n0.058776 0.178135 0.873101 O\n0.779769 0.912671 0.348248 O\n0.395209 0.159791 0.304556 O\n0.220230 0.087328 0.651752 O\n0.779768 0.587328 0.848248 O\n0.604790 0.659791 0.195444 O\n0.680679 0.379027 0.531668 O\n0.395209 0.340209 0.804556 O\n0.604789 0.840209 0.695444 O\n0.220230 0.412671 0.151752 O\n0.319319 0.879027 0.968331 O\n",
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{
"id": "jvasp-36579",
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"structure_string": "Hf12 Zn12 N2\n1.0\n-5.977285 -5.977285 0.000000\n-5.977285 -0.000000 -5.977285\n0.000000 -5.977285 -5.977285\nHf Zn N\n12 12 2\ndirect\n0.810307 0.810307 0.189692 Hf\n0.560307 0.939692 0.560307 Hf\n0.189692 0.189692 0.810307 Hf\n0.810307 0.189692 0.189692 Hf\n0.560307 0.939692 0.939692 Hf\n0.810307 0.189692 0.810307 Hf\n0.189692 0.810307 0.189692 Hf\n0.189692 0.810307 0.810307 Hf\n0.939692 0.560307 0.939692 Hf\n0.939692 0.560307 0.560307 Hf\n0.560307 0.560307 0.939692 Hf\n0.939692 0.939692 0.560307 Hf\n0.167100 0.498701 0.167100 Zn\n0.375000 0.375000 0.874999 Zn\n0.375000 0.874999 0.375000 Zn\n0.874999 0.375000 0.375000 Zn\n0.375000 0.375000 0.375000 Zn\n0.167100 0.167100 0.498701 Zn\n0.167100 0.167100 0.167100 Zn\n0.498701 0.167100 0.167100 Zn\n0.582900 0.582900 0.251299 Zn\n0.582900 0.251299 0.582900 Zn\n0.251299 0.582900 0.582900 Zn\n0.582900 0.582900 0.582900 Zn\n0.000000 0.000000 0.000000 N\n0.749999 0.749999 0.749999 N\n",
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{
"id": "jvasp-35178",
"created_at": "2022-09-04T14:38:06.835873Z",
"updated_at": "2022-09-04T14:38:06.835896Z",
"structure_string": "Na6 Li2 P4 O14\n1.0\n-2.755504 -4.573100 0.000000\n-2.755504 4.573100 0.000000\n0.000000 0.000000 -12.253921\nNa Li P O\n6 2 4 14\ndirect\n0.655875 0.655875 0.000000 Na\n0.344123 0.344123 0.500000 Na\n0.301309 0.955468 0.879883 Na\n0.955468 0.301309 0.120117 Na\n0.698690 0.044531 0.379883 Na\n0.044531 0.698690 0.620117 Na\n0.539597 0.460401 0.750000 Li\n0.460401 0.539597 0.250000 Li\n0.689651 0.024880 0.647859 P\n0.024880 0.689651 0.352141 P\n0.975119 0.310348 0.852141 P\n0.310348 0.975119 0.147859 P\n0.867867 0.216860 0.555325 O\n0.454341 0.091619 0.686998 O\n0.091619 0.454341 0.313002 O\n0.545657 0.908379 0.186998 O\n0.908379 0.545657 0.813001 O\n0.216860 0.867867 0.444675 O\n0.292320 0.416789 0.872210 O\n0.783138 0.132131 0.944675 O\n0.583209 0.707678 0.627790 O\n0.707678 0.583209 0.372210 O\n0.416789 0.292320 0.127790 O\n0.909426 0.090573 0.750000 O\n0.132131 0.783138 0.055325 O\n0.090573 0.909426 0.250000 O\n",
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{
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"structure_string": "Li12 V2 O6 F6\n1.0\n5.158023 -0.031206 0.047164\n-1.837336 -6.225697 -0.010762\n-0.272015 0.049941 -7.750969\nLi V O F\n12 2 6 6\ndirect\n0.885588 0.082336 0.342179 Li\n0.760742 0.663339 0.219762 Li\n0.710488 0.172462 0.757913 Li\n0.076471 0.451825 0.142277 Li\n0.397047 0.802029 0.908887 Li\n0.444314 0.322071 0.410466 Li\n0.554537 0.677684 0.600360 Li\n0.612652 0.196898 0.099919 Li\n0.933210 0.546899 0.853283 Li\n0.280334 0.350679 0.763514 Li\n0.326470 0.833199 0.231801 Li\n0.093119 0.912451 0.655109 Li\n0.980039 0.994024 0.011068 V\n0.962489 0.493330 0.511666 V\n0.783218 0.367567 0.294836 O\n0.968863 0.277347 0.941591 O\n0.649768 0.415088 0.643335 O\n0.663721 0.918493 0.136252 O\n0.069377 0.726505 0.051638 O\n0.215437 0.649737 0.691938 O\n0.882352 0.788180 0.449428 F\n0.232445 0.115277 0.233349 F\n0.352885 0.081912 0.858148 F\n0.330499 0.574959 0.351988 F\n0.762350 0.881042 0.778599 F\n0.071559 0.204687 0.560705 F\n",
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"structure_string": "K2 Mg4 P4 O16\n1.0\n8.255106 -0.091893 4.768923\n6.491719 5.100275 4.768923\n-0.022183 -0.007534 9.581369\nK Mg P O\n2 4 4 16\ndirect\n0.743808 0.256193 0.749999 K\n0.256191 0.743810 0.249999 K\n0.548940 0.159854 0.560577 Mg\n0.451059 0.840149 0.439422 Mg\n0.840147 0.451061 0.939422 Mg\n0.159852 0.548941 0.060577 Mg\n0.937594 0.329164 0.281858 P\n0.062405 0.670839 0.718141 P\n0.329162 0.937596 0.781858 P\n0.670837 0.062406 0.218141 P\n0.482417 0.718595 0.923082 O\n0.563655 0.973034 0.320999 O\n0.436344 0.026968 0.679000 O\n0.718593 0.482419 0.423082 O\n0.281406 0.517584 0.576917 O\n0.517582 0.281407 0.076917 O\n0.959170 0.835261 0.146907 O\n0.163595 0.642225 0.827568 O\n0.164741 0.040830 0.353091 O\n0.835258 0.959172 0.646907 O\n0.836404 0.357778 0.172431 O\n0.973032 0.563658 0.820999 O\n0.642223 0.163597 0.327568 O\n0.357776 0.836406 0.672431 O\n0.040829 0.164742 0.853091 O\n0.026967 0.436345 0.179000 O\n",
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"structure_string": "Mg6 As4 O16\n1.0\n0.000000 5.375051 0.008927\n8.381607 0.000000 0.000000\n0.000000 -4.592598 -7.817052\nMg As O\n6 4 16\ndirect\n0.499999 0.000000 0.500000 Mg\n0.499401 0.357949 0.397032 Mg\n0.500598 0.857949 0.102967 Mg\n0.500000 0.500000 -0.000000 Mg\n0.499401 0.142051 0.897032 Mg\n0.500598 0.642052 0.602967 Mg\n0.146724 0.696372 0.192961 As\n0.853276 0.196372 0.307038 As\n0.853275 0.303628 0.807038 As\n0.146723 0.803628 0.692961 As\n0.704786 0.063782 0.140252 O\n0.769081 0.352106 0.960914 O\n0.216722 0.199099 0.386993 O\n0.230917 0.852106 0.539085 O\n0.326986 0.622526 0.757602 O\n0.783278 0.699100 0.113007 O\n0.295213 0.936219 0.859747 O\n0.230918 0.647894 0.039085 O\n0.673013 0.377475 0.242397 O\n0.769082 0.147894 0.460914 O\n0.783277 0.800901 0.613007 O\n0.295213 0.563782 0.359747 O\n0.704785 0.436219 0.640252 O\n0.326986 0.877475 0.257602 O\n0.216721 0.300901 0.886992 O\n0.673013 0.122525 0.742397 O\n",
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"elements": [
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],
"chemical_system": "As-Mg-O",
"density": 3.310945776230443,
"density_atomic": 0.07389999919060222,
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"volume_molar": 8.149040359889245,
"formula_full": "Mg6 As4 O16",
"formula_reduced": "Mg3(AsO4)2",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 1.8525591269230768,
"spacegroup": 14
},
{
"id": "jvasp-104115",
"created_at": "2022-09-04T14:36:50.417310Z",
"updated_at": "2022-09-04T14:36:50.417335Z",
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],
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"formula_reduced": "H8(C5S)3",
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}
]
}