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{
"id": "mp-1173557",
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"structure_string": "Nb20 N22 O2\n1.0\n10.550605 0.000000 0.000000\n0.000000 5.257199 0.000000\n0.000000 5.215755 9.125660\nNb N O\n20 22 2\ndirect\n0.500263 0.675304 0.161896 Nb\n0.999175 0.324924 0.337538 Nb\n0.754741 0.332452 0.167234 Nb\n0.259752 0.309375 0.169171 Nb\n0.502525 0.001996 0.336918 Nb\n0.001722 0.677985 0.496276 Nb\n0.998430 0.008156 0.160778 Nb\n0.000825 0.324924 0.837538 Nb\n0.245259 0.332452 0.667234 Nb\n0.255903 0.667001 0.344951 Nb\n0.740248 0.309375 0.669171 Nb\n0.750239 0.662512 0.334196 Nb\n0.497475 0.001996 0.836918 Nb\n0.498682 0.325327 0.498959 Nb\n0.998278 0.677985 0.996276 Nb\n0.001570 0.008156 0.660778 Nb\n0.249761 0.662512 0.834196 Nb\n0.744097 0.667001 0.844951 Nb\n0.499737 0.675304 0.661896 Nb\n0.501318 0.325327 0.998959 Nb\n0.372353 0.340792 0.329348 N\n0.874315 0.342272 0.996749 N\n0.127449 0.002904 0.329389 N\n0.874052 0.001993 0.330606 N\n0.629547 0.000878 0.169419 N\n0.375797 0.996930 0.168308 N\n0.373230 0.343557 0.828504 N\n0.374184 0.663874 0.501145 N\n0.627843 0.658822 0.499515 N\n0.125685 0.342272 0.496749 N\n0.872103 0.338628 0.500941 N\n0.876770 0.663921 0.168633 N\n0.125948 0.001993 0.830606 N\n0.872551 0.002904 0.829389 N\n0.626770 0.343557 0.328504 N\n0.624203 0.996930 0.668308 N\n0.370453 0.000878 0.669419 N\n0.372157 0.658822 0.999515 N\n0.625816 0.663874 0.001145 N\n0.127897 0.338628 0.000941 N\n0.123230 0.663921 0.668633 N\n0.627647 0.340792 0.829348 N\n0.129375 0.660398 0.169526 O\n0.870625 0.660398 0.669526 O\n",
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{
"id": "mp-849338",
"created_at": "2022-09-04T14:39:40.780391Z",
"structure_string": "Mn8 O14 F2\n1.0\n5.485048 0.000000 0.000000\n0.000000 4.961201 0.000000\n0.000000 4.934819 8.923388\nMn O F\n8 14 2\ndirect\n0.834207 0.249084 0.005203 Mn\n0.143816 0.727790 0.004618 Mn\n0.632093 0.518126 0.241886 Mn\n0.349065 0.998402 0.254541 Mn\n0.165793 0.249084 0.505203 Mn\n0.856184 0.727790 0.504618 Mn\n0.650935 0.998402 0.754541 Mn\n0.367907 0.518126 0.741886 Mn\n0.880436 0.807748 0.114219 O\n0.107513 0.294864 0.118616 O\n0.601246 0.290652 0.135349 O\n0.381175 0.792741 0.131994 O\n0.613040 0.713168 0.365781 O\n0.387806 0.219274 0.364641 O\n0.112233 0.687647 0.385592 O\n0.892487 0.294864 0.618616 O\n0.119564 0.807748 0.614219 O\n0.618825 0.792741 0.631994 O\n0.398754 0.290652 0.635349 O\n0.612194 0.219274 0.864641 O\n0.386960 0.713168 0.865781 O\n0.887767 0.687647 0.885592 O\n0.878691 0.200501 0.377559 F\n0.121309 0.200501 0.877559 F\n",
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"elements": [
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],
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"formula_full": "Mn8 O14 F2",
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},
{
"id": "mp-768452",
"created_at": "2022-09-04T14:39:41.123622Z",
"structure_string": "Li10 Bi4 B8 O24\n1.0\n6.473769 0.000000 0.000000\n0.000000 8.873650 0.000000\n0.000000 4.737101 9.294355\nLi Bi B O\n10 4 8 24\ndirect\n0.976639 0.611835 0.511518 Li\n0.483731 0.403098 0.979349 Li\n0.483944 0.828734 0.451132 Li\n0.971477 0.157337 0.044562 Li\n0.516056 0.828734 0.951132 Li\n0.183392 0.294220 0.166257 Li\n0.028523 0.157337 0.544562 Li\n0.023361 0.611835 0.011518 Li\n0.816608 0.294220 0.666257 Li\n0.516269 0.403098 0.479349 Li\n0.231882 0.800904 0.206426 Bi\n0.768118 0.800904 0.706426 Bi\n0.717504 0.187893 0.296616 Bi\n0.282496 0.187893 0.796616 Bi\n0.080878 0.460073 0.822359 B\n0.593985 0.535269 0.683201 B\n0.572880 0.056896 0.108362 B\n0.077088 0.950505 0.388097 B\n0.427120 0.056896 0.608362 B\n0.922912 0.950505 0.888097 B\n0.919122 0.460073 0.322359 B\n0.406015 0.535269 0.183201 B\n0.544580 0.384704 0.680029 O\n0.046578 0.418858 0.709614 O\n0.185261 0.339403 0.944187 O\n0.697497 0.660409 0.565397 O\n0.554704 0.572428 0.795224 O\n0.473360 0.004120 0.017903 O\n0.182865 0.799682 0.434762 O\n0.016936 0.606700 0.823282 O\n0.549299 0.962430 0.254613 O\n0.066653 0.065451 0.243627 O\n0.683934 0.206741 0.056369 O\n0.964980 0.988978 0.483055 O\n0.526640 0.004120 0.517903 O\n0.817135 0.799682 0.934762 O\n0.450701 0.962430 0.754614 O\n0.933347 0.065451 0.743627 O\n0.455420 0.384704 0.180029 O\n0.316066 0.206741 0.556369 O\n0.035020 0.988978 0.983055 O\n0.953422 0.418858 0.209614 O\n0.814739 0.339403 0.444187 O\n0.302503 0.660409 0.065397 O\n0.445296 0.572428 0.295224 O\n0.983064 0.606700 0.323282 O\n",
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],
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"density": 4.278852284714972,
"density_atomic": 0.08615472124254764,
"volume": 533.9231482218856,
"volume_molar": 6.98991381220552,
"formula_full": "Li10 Bi4 B8 O24",
"formula_reduced": "Li5Bi2(BO3)4",
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"updated_at": "2021-11-28T01:34:27.859000Z",
"spacegroup": 7
},
{
"id": "mp-715584",
"created_at": "2022-09-04T14:39:41.549659Z",
"structure_string": "Mo4 O12\n1.0\n5.475231 0.000000 0.000000\n0.000000 5.655511 0.000000\n0.000000 0.075407 7.286849\nMo O\n4 12\ndirect\n0.754696 0.302765 0.501524 Mo\n0.245304 0.802765 0.501524 Mo\n0.251441 0.958885 0.001267 Mo\n0.748559 0.458885 0.001267 Mo\n0.017859 0.129776 0.460044 O\n0.982141 0.629776 0.460044 O\n0.015973 0.164533 0.045700 O\n0.984027 0.664533 0.045700 O\n0.173709 0.888896 0.752406 O\n0.826291 0.388896 0.752406 O\n0.465089 0.581050 0.545897 O\n0.534911 0.081050 0.545897 O\n0.328606 0.875510 0.253211 O\n0.671394 0.375510 0.253211 O\n0.501815 0.149784 0.960750 O\n0.498185 0.649784 0.960750 O\n",
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"elements": [
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],
"chemical_system": "Mo-O",
"density": 4.23712316122901,
"density_atomic": 0.07090974349601495,
"volume": 225.6389490521734,
"volume_molar": 8.492684450816604,
"formula_full": "Mo4 O12",
"formula_reduced": "MoO3",
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{
"id": "mp-778032",
"created_at": "2022-09-04T14:39:41.599282Z",
"structure_string": "Li2 V4 Si4 O16\n1.0\n4.858983 0.000000 0.000000\n0.000000 6.412826 0.000000\n0.000000 0.033719 8.988717\nLi V Si O\n2 4 4 16\ndirect\n0.226781 0.246228 0.334602 Li\n0.773219 0.246228 0.834602 Li\n0.251809 0.997941 0.000795 V\n0.257460 0.513149 0.000200 V\n0.748191 0.997941 0.500795 V\n0.742540 0.513149 0.500200 V\n0.725133 0.247491 0.177451 Si\n0.224647 0.749529 0.322466 Si\n0.274867 0.247491 0.677451 Si\n0.775353 0.749529 0.822466 Si\n0.573281 0.041397 0.119878 O\n0.557942 0.449725 0.109049 O\n0.050075 0.259848 0.122004 O\n0.176908 0.741995 0.138777 O\n0.660955 0.259550 0.360049 O\n0.546920 0.739338 0.386474 O\n0.065392 0.539249 0.386961 O\n0.079867 0.963883 0.376974 O\n0.426719 0.041397 0.619878 O\n0.442058 0.449725 0.609049 O\n0.949925 0.259848 0.622004 O\n0.823092 0.741995 0.638777 O\n0.339045 0.259550 0.860049 O\n0.453080 0.739338 0.886474 O\n0.934608 0.539249 0.886961 O\n0.920133 0.963883 0.876974 O\n",
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],
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"density": 3.4740786325482955,
"density_atomic": 0.09282838711624955,
"volume": 280.08673647900446,
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"formula_full": "Li2 V4 Si4 O16",
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},
{
"id": "mp-780775",
"created_at": "2022-09-04T14:39:41.735857Z",
"structure_string": "Sr6 Li6 Cu6 P8 O32\n1.0\n4.874197 0.000000 0.000000\n0.000000 9.244621 0.000000\n0.000000 7.646470 16.725217\nSr Li Cu P O\n6 6 6 8 32\ndirect\n0.237381 0.796587 0.231655 Sr\n0.781864 0.179329 0.279424 Sr\n0.762619 0.796587 0.731655 Sr\n0.766711 0.493404 0.007427 Sr\n0.218136 0.179329 0.779424 Sr\n0.233289 0.493404 0.507427 Sr\n0.324093 0.532360 0.714276 Li\n0.744896 0.781724 0.404253 Li\n0.239342 0.205927 0.100448 Li\n0.255104 0.781724 0.904253 Li\n0.675907 0.532360 0.214276 Li\n0.760658 0.205927 0.600448 Li\n0.802939 0.278325 0.895123 Cu\n0.393122 0.779372 0.577545 Cu\n0.747090 0.998694 0.503341 Cu\n0.197061 0.278325 0.395123 Cu\n0.606878 0.779372 0.077545 Cu\n0.252910 0.998694 0.003341 Cu\n0.776334 0.453502 0.656204 P\n0.805391 0.059403 0.101006 P\n0.290204 0.537493 0.848783 P\n0.313915 0.935266 0.398474 P\n0.194609 0.059403 0.601006 P\n0.223666 0.453502 0.156204 P\n0.686085 0.935266 0.898474 P\n0.709796 0.537493 0.348783 P\n0.686462 0.422816 0.582828 O\n0.930912 0.915976 0.084872 O\n0.677119 0.318458 0.734991 O\n0.096242 0.458484 0.655043 O\n0.491507 0.038325 0.112015 O\n0.170418 0.385338 0.843359 O\n0.944441 0.059195 0.177447 O\n0.888934 0.216597 0.030498 O\n0.408323 0.773551 0.466599 O\n0.443962 0.939028 0.320550 O\n0.656878 0.615909 0.651621 O\n0.603595 0.516522 0.867673 O\n0.258497 0.677716 0.763467 O\n0.000521 0.945414 0.393424 O\n0.143568 0.583385 0.910242 O\n0.440865 0.075695 0.416318 O\n0.069088 0.915976 0.584872 O\n0.313538 0.422816 0.082828 O\n0.508493 0.038325 0.612015 O\n0.322881 0.318458 0.234991 O\n0.903758 0.458484 0.155043 O\n0.829582 0.385338 0.343359 O\n0.055559 0.059195 0.677447 O\n0.111066 0.216597 0.530498 O\n0.591677 0.773551 0.966599 O\n0.556038 0.939028 0.820550 O\n0.343122 0.615909 0.151621 O\n0.999479 0.945414 0.893424 O\n0.396405 0.516522 0.367673 O\n0.741503 0.677716 0.263467 O\n0.559135 0.075695 0.916318 O\n0.856432 0.583385 0.410242 O\n",
"nsites": 58,
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"formula_full": "Sr6 Li6 Cu6 P8 O32",
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"spacegroup": 7
},
{
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"created_at": "2022-09-04T14:39:41.860783Z",
"structure_string": "Cr2 P10 O30\n1.0\n12.187372 0.000000 -0.598765\n0.000000 10.452572 0.000000\n0.088299 0.000000 5.031910\nCr P O\n2 10 30\ndirect\n0.997122 0.001752 0.003811 Cr\n0.497122 0.998248 0.503812 Cr\n0.747080 0.988329 0.754714 P\n0.848521 0.557879 0.436281 P\n0.080529 0.166673 0.516840 P\n0.152010 0.443021 0.566406 P\n0.247080 0.011671 0.254715 P\n0.348522 0.442121 0.936282 P\n0.414995 0.164577 0.991590 P\n0.580529 0.833327 0.016839 P\n0.652010 0.556979 0.066406 P\n0.914995 0.835423 0.491590 P\n0.692038 0.479730 0.807821 O\n0.998603 0.887060 0.688651 O\n0.996554 0.116551 0.318828 O\n0.055778 0.154276 0.805942 O\n0.078237 0.527007 0.708409 O\n0.104411 0.313099 0.444108 O\n0.192038 0.520270 0.307821 O\n0.152942 0.942764 0.118784 O\n0.199778 0.106616 0.475468 O\n0.250272 0.385754 0.750800 O\n0.294710 0.108822 0.038234 O\n0.340891 0.940762 0.387389 O\n0.308383 0.520825 0.192751 O\n0.394709 0.312087 0.061196 O\n0.438268 0.150168 0.702088 O\n0.423413 0.524789 0.794558 O\n0.496554 0.883449 0.818827 O\n0.498603 0.112940 0.188653 O\n0.555778 0.845724 0.305943 O\n0.938267 0.849832 0.202089 O\n0.604412 0.686901 0.944109 O\n0.923412 0.475211 0.294557 O\n0.652942 0.057236 0.618784 O\n0.699778 0.893384 0.975468 O\n0.750272 0.614246 0.250801 O\n0.794709 0.891178 0.538235 O\n0.840891 0.059238 0.887388 O\n0.808383 0.479175 0.692751 O\n0.894709 0.687913 0.561196 O\n0.578237 0.472992 0.208408 O\n",
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"formula_full": "Cr2 P10 O30",
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},
{
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{
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{
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{
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"structure_string": "Ca2 La2 Cr2 Cu2 O12\n1.0\n5.551977 0.000000 0.000000\n0.000000 5.472375 0.000000\n0.000000 5.463098 7.682444\nCa La Cr Cu O\n2 2 2 2 12\ndirect\n0.699368 0.260006 0.250578 Ca\n0.300632 0.260006 0.750578 Ca\n0.212479 0.742835 0.249953 La\n0.787521 0.742835 0.749953 La\n0.250897 0.997942 0.501021 Cr\n0.749103 0.997942 0.001021 Cr\n0.248549 0.499635 0.999446 Cu\n0.751451 0.499635 0.499446 Cu\n0.729593 0.170440 0.756301 O\n0.464398 0.747522 0.041656 O\n0.458290 0.317743 0.462016 O\n0.948192 0.671394 0.042132 O\n0.961858 0.251638 0.452543 O\n0.232984 0.840844 0.744356 O\n0.270407 0.170440 0.256301 O\n0.535602 0.747522 0.541656 O\n0.541710 0.317743 0.962016 O\n0.051808 0.671394 0.542132 O\n0.038142 0.251638 0.952543 O\n0.767016 0.840844 0.244356 O\n",
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}