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{
"id": "jvasp-33973",
"created_at": "2022-09-04T14:38:09.447487Z",
"updated_at": "2022-09-04T14:38:09.447516Z",
"structure_string": "Te7 Mo6 S5\n1.0\n3.404340 -0.199384 0.000521\n1.191360 -8.821063 -0.154167\n1.519645 -3.260226 -13.996571\nTe Mo S\n7 6 5\ndirect\n0.613190 0.875673 0.897893 Te\n0.726138 0.450258 0.097518 Te\n0.031324 0.314902 0.622468 Te\n0.938915 0.231687 0.890434 Te\n0.356506 0.673489 0.613538 Te\n0.978839 0.660997 0.381308 Te\n0.300573 0.018570 0.380252 Te\n0.873024 0.504548 0.749409 Mo\n0.794447 0.172562 0.238543 Mo\n0.207006 0.829015 0.756978 Mo\n0.128370 0.506567 0.236691 Mo\n0.542686 0.154673 0.759937 Mo\n0.457684 0.836793 0.247857 Mo\n0.289375 0.566148 0.855079 S\n0.683250 0.979608 0.653929 S\n0.384377 0.093879 0.137392 S\n0.042190 0.774999 0.140671 S\n0.652118 0.355627 0.340103 S\n",
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{
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"updated_at": "2022-09-04T14:38:09.439967Z",
"structure_string": "Ti2 Cl6\n1.0\n5.412931 0.032106 4.092983\n2.054390 5.008025 4.092984\n0.047568 0.032105 6.786019\nTi Cl\n2 6\ndirect\n0.666612 0.666614 0.666611 Ti\n0.333387 0.333388 0.333387 Ti\n0.577775 0.920184 0.261722 Cl\n0.920182 0.261724 0.577774 Cl\n0.738277 0.422226 0.079817 Cl\n0.079818 0.738278 0.422224 Cl\n0.422225 0.079819 0.738277 Cl\n0.261723 0.577777 0.920181 Cl\n",
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{
"id": "jvasp-47004",
"created_at": "2022-09-04T14:38:09.433986Z",
"updated_at": "2022-09-04T14:38:09.434009Z",
"structure_string": "Li5 Cr2 Fe3 O10\n1.0\n5.074119 0.041040 0.069348\n0.910919 4.936332 0.019342\n2.608726 2.080096 7.065844\nLi Cr Fe O\n5 2 3 10\ndirect\n0.503442 0.785872 0.408565 Li\n0.506858 0.607410 0.779506 Li\n0.999017 0.499267 0.500173 Li\n0.491239 0.391149 0.220808 Li\n0.494620 0.212668 0.591742 Li\n0.001893 0.901633 0.690210 Cr\n0.996184 0.096920 0.310123 Cr\n0.003182 0.689377 0.102274 Fe\n0.499023 0.999284 0.000156 Fe\n-0.005080 0.309173 0.898054 Fe\n0.223687 0.133881 0.455574 O\n0.226224 0.943335 0.846405 O\n0.774395 0.864671 0.544755 O\n0.743489 0.668182 0.941524 O\n0.254086 0.773800 0.236379 O\n0.227555 0.553957 0.663018 O\n0.770518 0.444589 0.337314 O\n0.743999 0.224761 0.763950 O\n0.254598 0.330385 0.058809 O\n0.771880 0.055220 0.153910 O\n",
"nsites": 20,
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"density_atomic": 0.11379533877972929,
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"formula_full": "Li5 Cr2 Fe3 O10",
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"formula_anonymous": "A2B3C5D10",
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"spacegroup": 2
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{
"id": "jvasp-41119",
"created_at": "2022-09-04T14:38:09.433870Z",
"updated_at": "2022-09-04T14:38:09.433884Z",
"structure_string": "Yb2 Pd1 Au1\n1.0\n-0.000000 3.481202 3.481202\n3.481202 0.000000 3.481202\n3.481202 3.481202 0.000000\nYb Pd Au\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Yb\n0.750000 0.750000 0.750000 Pd\n0.249999 0.249999 0.249999 Au\n",
"nsites": 4,
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"density": 12.781688510564905,
"density_atomic": 0.04740698355341944,
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},
{
"id": "jvasp-9457",
"created_at": "2022-09-04T14:38:09.432298Z",
"updated_at": "2022-09-04T14:38:09.432312Z",
"structure_string": "Ca4 Cr4 O8\n1.0\n3.068958 0.003986 0.004884\n-0.011000 8.151933 0.061724\n-0.012580 -0.905185 8.444733\nCa Cr O\n4 4 8\ndirect\n0.751979 0.931490 0.334953 Ca\n0.251983 0.088591 0.693249 Ca\n0.751995 0.195995 0.055228 Ca\n0.251974 0.824092 0.972974 Ca\n0.752009 0.728325 0.622933 Cr\n0.251945 0.562193 0.213081 Cr\n0.752025 0.457899 0.815131 Cr\n0.251959 0.291744 0.405263 Cr\n0.751967 0.186678 0.511278 O\n0.252021 0.615831 0.750467 O\n0.751940 0.404261 0.277743 O\n0.252002 0.833392 0.516911 O\n0.751983 0.973393 0.848217 O\n0.751953 0.695762 0.140945 O\n0.251977 0.046696 0.179981 O\n0.252017 0.324320 0.887255 O\n",
"nsites": 16,
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"elements": [
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"density": 3.8975737086723687,
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"formula_full": "Ca4 Cr4 O8",
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},
{
"id": "jvasp-54756",
"created_at": "2022-09-04T14:38:09.429597Z",
"updated_at": "2022-09-04T14:38:09.429622Z",
"structure_string": "Ta4 H8 O14\n1.0\n4.776801 5.603597 0.000000\n0.000000 5.603597 5.721507\n4.776801 0.000000 5.721507\nTa H O\n4 8 14\ndirect\n0.459562 0.972971 0.494916 Ta\n0.427449 0.505084 0.027030 Ta\n0.972970 0.459563 0.572551 Ta\n0.505084 0.427449 0.540438 Ta\n0.270250 0.270251 -0.020250 H\n0.020250 0.020251 0.729750 H\n0.245202 0.039323 0.207242 H\n0.039323 0.245203 0.008232 H\n0.792758 0.991769 0.754797 H\n0.991768 0.792759 -0.039324 H\n0.637470 0.637470 0.112530 H\n0.887470 0.887470 0.362530 H\n0.762905 0.473112 0.470442 O\n0.375864 0.866394 0.392575 O\n0.866393 0.375864 0.865169 O\n0.420547 0.420548 0.829453 O\n0.800476 0.800477 0.449524 O\n0.473111 0.762905 0.793542 O\n0.529558 0.206459 0.237095 O\n0.134831 0.607425 0.133607 O\n0.550476 0.550476 0.199524 O\n0.170547 0.170547 0.579453 O\n0.206458 0.529559 0.526889 O\n0.929962 0.929963 0.820038 O\n0.607425 0.134832 0.624136 O\n0.179962 0.179962 0.070038 O\n",
"nsites": 26,
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"elements": [
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"density": 5.181945521118764,
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"formula_full": "Ta4 H8 O14",
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"spacegroup": 43
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{
"id": "jvasp-30044",
"created_at": "2022-09-04T14:38:09.427117Z",
"updated_at": "2022-09-04T14:38:09.427142Z",
"structure_string": "Yb2 Br6\n1.0\n5.824728 -0.410536 3.326304\n1.736357 5.575039 3.326303\n-0.601044 -0.410535 6.680606\nYb Br\n2 6\ndirect\n0.196377 0.196377 0.196377 Yb\n0.803625 0.803622 0.803622 Yb\n0.124997 0.749698 0.371889 Br\n0.371890 0.124995 0.749698 Br\n0.749699 0.371889 0.124996 Br\n0.250303 0.628110 0.875004 Br\n0.628112 0.875003 0.250301 Br\n0.875005 0.250301 0.628110 Br\n",
"nsites": 8,
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],
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"volume": 239.25169672006587,
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{
"id": "jvasp-106886",
"created_at": "2022-09-04T14:38:09.420583Z",
"updated_at": "2022-09-04T14:38:09.420608Z",
"structure_string": "Na1 Mn1 O2\n1.0\n2.938805 0.002428 4.751902\n1.352518 2.609073 4.751903\n0.003990 0.002428 5.587229\nNa Mn O\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Mn\n0.267095 0.267095 0.267095 O\n0.732904 0.732905 0.732904 O\n",
"nsites": 4,
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},
{
"id": "jvasp-43019",
"created_at": "2022-09-04T14:38:09.416707Z",
"updated_at": "2022-09-04T14:38:09.416735Z",
"structure_string": "Ti2 Ni2 P4 O16\n1.0\n0.000000 4.808219 0.020906\n5.792454 0.000000 0.000000\n0.000000 -0.163441 -9.841939\nTi Ni P O\n2 2 4 16\ndirect\n0.546924 0.250000 0.229064 Ti\n0.453076 0.749999 0.770936 Ti\n0.055342 0.749999 0.272761 Ni\n0.944658 0.250000 0.727239 Ni\n0.583717 0.749999 0.094030 P\n0.126530 0.250000 0.411497 P\n0.873470 0.749999 0.588502 P\n0.416283 0.250000 0.905970 P\n0.269137 0.039543 0.831886 O\n0.269137 0.460457 0.831886 O\n0.723266 0.546385 0.665420 O\n0.723266 0.953614 0.665420 O\n0.184985 0.749999 0.628045 O\n0.172899 0.250000 0.562275 O\n0.827101 0.749999 0.437725 O\n0.730863 0.539542 0.168113 O\n0.276734 0.453614 0.334580 O\n0.276734 0.046385 0.334580 O\n0.727883 0.250000 0.892881 O\n0.730863 0.960457 0.168113 O\n0.272118 0.749999 0.107118 O\n0.342178 0.250000 0.058352 O\n0.815015 0.250000 0.371955 O\n0.657823 0.749999 0.941648 O\n",
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{
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"created_at": "2022-09-04T14:38:09.416209Z",
"updated_at": "2022-09-04T14:38:09.416228Z",
"structure_string": "Li4 Mn1 Fe3 O8\n1.0\n5.031890 0.112825 0.016736\n-0.072343 5.508445 -0.007747\n0.000452 -0.037596 6.371487\nLi Mn Fe O\n4 1 3 8\ndirect\n0.990986 0.916315 0.377128 Li\n0.500199 0.578690 0.875236 Li\n0.993454 0.421162 0.124101 Li\n0.499121 0.086023 0.623537 Li\n0.497449 0.083619 0.126778 Mn\n-0.000286 0.916674 0.875551 Fe\n0.498538 0.582776 0.370957 Fe\n0.998937 0.416818 0.625628 Fe\n0.372470 0.927768 0.892557 O\n0.391232 0.911833 0.354523 O\n0.887067 0.586547 0.872855 O\n0.881751 0.579629 0.380365 O\n0.377737 0.424162 0.619830 O\n0.392954 0.401621 0.133404 O\n0.887133 0.087533 0.630504 O\n0.857660 0.078827 0.117051 O\n",
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{
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"structure_string": "Tm6 Ta2 O14\n1.0\n5.196062 3.727923 0.000000\n-5.196062 3.727923 0.000000\n0.000000 0.000000 7.360370\nTm Ta O\n6 2 14\ndirect\n0.999588 0.464375 0.490817 Tm\n0.535625 0.000411 0.509183 Tm\n0.464906 0.464906 0.750000 Tm\n0.535093 0.535093 0.250000 Tm\n0.000411 0.535625 0.990817 Tm\n0.464375 0.999588 0.009183 Tm\n0.001861 0.001861 0.250000 Ta\n0.998139 0.998139 0.750000 Ta\n0.311634 0.052059 0.296593 O\n0.947940 0.688365 0.703407 O\n0.629357 0.370642 0.000000 O\n0.915360 0.667951 0.274945 O\n0.332048 0.084639 0.725055 O\n0.084639 0.332048 0.774945 O\n0.052059 0.311634 0.203407 O\n0.370642 0.629357 0.500000 O\n0.688365 0.947940 0.796593 O\n0.639680 0.360319 0.500000 O\n0.360319 0.639680 0.000000 O\n0.073435 0.926564 0.000000 O\n0.667951 0.915360 0.225055 O\n0.926564 0.073435 0.500000 O\n",
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{
"id": "jvasp-18176",
"created_at": "2022-09-04T14:38:09.415469Z",
"updated_at": "2022-09-04T14:38:09.415496Z",
"structure_string": "Rb2 Rh1 F6\n1.0\n2.966714 -5.138497 -0.000000\n2.966714 5.138497 0.000000\n-0.000000 0.000000 4.762658\nRb Rh F\n2 1 6\ndirect\n0.666666 0.333332 0.288830 Rb\n0.333332 0.666666 0.711171 Rb\n0.000000 0.000000 0.000000 Rh\n0.684559 0.842280 0.224690 F\n0.157719 0.315440 0.224690 F\n0.157719 0.842280 0.224690 F\n0.315440 0.157719 0.775310 F\n0.842280 0.684559 0.775310 F\n0.842280 0.157719 0.775310 F\n",
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}