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{
"id": "mp-1208284",
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"structure_string": "Ti2 Zn20 B16 Rh36\n1.0\n17.887078 0.000000 0.000000\n0.000000 17.887078 0.000000\n0.000000 0.000000 2.898843\nTi Zn B Rh\n2 20 16 36\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.000000 Ti\n0.550287 0.050287 0.000000 Zn\n0.449713 0.949713 0.000000 Zn\n0.050287 0.449713 0.000000 Zn\n0.949713 0.550287 0.000000 Zn\n0.031974 0.188319 0.000000 Zn\n0.968026 0.811681 0.000000 Zn\n0.188319 0.968026 0.000000 Zn\n0.531974 0.311681 0.000000 Zn\n0.811681 0.031974 0.000000 Zn\n0.468026 0.688319 0.000000 Zn\n0.688319 0.531974 0.000000 Zn\n0.311681 0.468026 0.000000 Zn\n0.209421 0.709421 0.000000 Zn\n0.790579 0.290579 0.000000 Zn\n0.709421 0.790579 0.000000 Zn\n0.290579 0.209421 0.000000 Zn\n0.668609 0.168609 0.000000 Zn\n0.331391 0.831391 0.000000 Zn\n0.168609 0.331391 0.000000 Zn\n0.831391 0.668609 0.000000 Zn\n0.334871 0.038712 0.000000 B\n0.665129 0.961288 0.000000 B\n0.038712 0.665129 0.000000 B\n0.834871 0.461288 0.000000 B\n0.961288 0.334871 0.000000 B\n0.165129 0.538712 0.000000 B\n0.538712 0.834871 0.000000 B\n0.461288 0.165129 0.000000 B\n0.170215 0.126470 0.000000 B\n0.829785 0.873530 0.000000 B\n0.126470 0.829785 0.000000 B\n0.670215 0.373530 0.000000 B\n0.873530 0.170215 0.000000 B\n0.329785 0.626470 0.000000 B\n0.626470 0.670215 0.000000 B\n0.373530 0.329785 0.000000 B\n0.255568 0.087717 0.500000 Rh\n0.744432 0.912283 0.500000 Rh\n0.087717 0.744432 0.500000 Rh\n0.755568 0.412283 0.500000 Rh\n0.912283 0.255568 0.500000 Rh\n0.244432 0.587717 0.500000 Rh\n0.587717 0.755568 0.500000 Rh\n0.412283 0.244432 0.500000 Rh\n0.047502 0.325837 0.500000 Rh\n0.952498 0.674163 0.500000 Rh\n0.325837 0.952498 0.500000 Rh\n0.547502 0.174163 0.500000 Rh\n0.674163 0.047502 0.500000 Rh\n0.452498 0.825837 0.500000 Rh\n0.825837 0.547502 0.500000 Rh\n0.174163 0.452498 0.500000 Rh\n0.158879 0.211434 0.500000 Rh\n0.841121 0.788566 0.500000 Rh\n0.211434 0.841121 0.500000 Rh\n0.658879 0.288566 0.500000 Rh\n0.788566 0.158879 0.500000 Rh\n0.341121 0.711434 0.500000 Rh\n0.711434 0.658879 0.500000 Rh\n0.288566 0.341121 0.500000 Rh\n0.099702 0.067262 0.500000 Rh\n0.900298 0.932738 0.500000 Rh\n0.067262 0.900298 0.500000 Rh\n0.599702 0.432738 0.500000 Rh\n0.932738 0.099702 0.500000 Rh\n0.400298 0.567262 0.500000 Rh\n0.567262 0.599702 0.500000 Rh\n0.432738 0.400298 0.500000 Rh\n0.082010 0.582010 0.500000 Rh\n0.917990 0.417990 0.500000 Rh\n0.582010 0.917990 0.500000 Rh\n0.417990 0.082010 0.500000 Rh\n",
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"formula_full": "Ti2 Zn20 B16 Rh36",
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"spacegroup": 127
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{
"id": "mp-541512",
"created_at": "2022-09-04T14:41:08.055446Z",
"structure_string": "Ba6 Cr4 W2 O18\n1.0\n-2.904084 5.030018 0.000000\n0.000010 0.000007 14.297204\n5.808154 -0.000009 0.000004\nBa Cr W O\n6 4 2 18\ndirect\n0.999997 0.249995 0.999997 Ba\n0.000002 0.749996 0.000000 Ba\n0.666664 0.103598 0.333332 Ba\n0.666665 0.396401 0.333328 Ba\n0.333330 0.896375 0.666669 Ba\n0.333335 0.603608 0.666669 Ba\n0.666689 0.659663 0.333356 Cr\n0.333333 0.159642 0.666673 Cr\n0.666676 0.840391 0.333338 Cr\n0.333322 0.340368 0.666649 Cr\n0.000002 0.500004 0.000000 W\n0.000001 0.999998 0.000002 W\n0.031466 0.249997 0.514702 O\n0.485290 0.249998 0.516762 O\n0.483231 0.249999 0.968528 O\n0.968529 0.750014 0.483234 O\n0.516775 0.750015 0.485290 O\n0.514717 0.750013 0.031492 O\n0.320516 0.921705 0.160566 O\n0.839428 0.578285 0.159951 O\n0.840046 0.578286 0.679475 O\n0.840048 0.921705 0.679480 O\n0.839432 0.921705 0.159949 O\n0.679485 0.078274 0.840050 O\n0.159945 0.078274 0.839432 O\n0.160563 0.078274 0.320514 O\n0.320521 0.578286 0.160570 O\n0.160568 0.421710 0.320521 O\n0.679475 0.421711 0.840044 O\n0.159949 0.421711 0.839426 O\n",
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"formula_full": "Ba6 Cr4 W2 O18",
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{
"id": "mp-1232179",
"created_at": "2022-09-04T14:41:08.062726Z",
"structure_string": "Ho16 Mg8 Se32\n1.0\n7.866465 0.000000 0.000000\n0.000000 13.189038 0.000000\n0.000000 0.000000 13.429993\nHo Mg Se\n16 8 32\ndirect\n0.882697 0.107796 0.685955 Ho\n0.117303 0.892204 0.185955 Ho\n0.882697 0.392204 0.185955 Ho\n0.117303 0.607796 0.685955 Ho\n0.381289 0.127507 0.326395 Ho\n0.618711 0.872493 0.826395 Ho\n0.381289 0.372493 0.826395 Ho\n0.618711 0.627507 0.326395 Ho\n0.628731 0.133254 0.990340 Ho\n0.371269 0.866746 0.490340 Ho\n0.628731 0.366746 0.490340 Ho\n0.371269 0.633254 0.990340 Ho\n0.129027 0.133370 0.991033 Ho\n0.870973 0.866630 0.491033 Ho\n0.129027 0.366630 0.491033 Ho\n0.870973 0.633370 0.991033 Ho\n0.382502 0.111416 0.690605 Mg\n0.617498 0.888584 0.190605 Mg\n0.382502 0.388584 0.190605 Mg\n0.617498 0.611416 0.690605 Mg\n0.879069 0.126315 0.321087 Mg\n0.120931 0.873685 0.821087 Mg\n0.879069 0.373685 0.821087 Mg\n0.120931 0.626315 0.321087 Mg\n0.876989 0.013263 0.877480 Se\n0.123011 0.986737 0.377480 Se\n0.876989 0.486737 0.377480 Se\n0.123011 0.513263 0.877480 Se\n0.376447 0.034732 0.130291 Se\n0.623553 0.965268 0.630291 Se\n0.376447 0.465268 0.630291 Se\n0.623553 0.534732 0.130291 Se\n0.373037 0.021320 0.869111 Se\n0.626963 0.978680 0.369111 Se\n0.373037 0.478680 0.369111 Se\n0.626963 0.521320 0.869111 Se\n0.872687 0.041899 0.135966 Se\n0.127313 0.958101 0.635966 Se\n0.872687 0.458101 0.635966 Se\n0.127313 0.541899 0.135966 Se\n0.879418 0.211789 0.503476 Se\n0.120582 0.788211 0.003476 Se\n0.879418 0.288211 0.003476 Se\n0.120582 0.711789 0.503476 Se\n0.379644 0.212531 0.518536 Se\n0.620356 0.787469 0.018536 Se\n0.379644 0.287469 0.018536 Se\n0.620356 0.712531 0.518536 Se\n0.128267 0.231359 0.778095 Se\n0.871733 0.768641 0.278095 Se\n0.128267 0.268641 0.278095 Se\n0.871733 0.731359 0.778095 Se\n0.631943 0.230666 0.778630 Se\n0.368057 0.769334 0.278630 Se\n0.631943 0.269334 0.278630 Se\n0.368057 0.730666 0.778630 Se\n",
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"formula_full": "Ho16 Mg8 Se32",
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{
"id": "mp-1386496",
"created_at": "2022-09-04T14:41:08.126170Z",
"structure_string": "Ca2 V4 O20\n1.0\n7.108976 0.000000 0.000000\n-3.523142 7.233239 0.000000\n-0.638460 -4.003595 7.967881\nCa V O\n2 4 20\ndirect\n0.055676 0.812723 0.866985 Ca\n0.944324 0.187277 0.133015 Ca\n0.782317 0.446162 0.668260 V\n0.217683 0.553838 0.331740 V\n0.252004 0.369928 0.659870 V\n0.747996 0.630072 0.340130 V\n0.069911 0.443171 0.585436 O\n0.930089 0.556829 0.414564 O\n0.569659 0.499172 0.604602 O\n0.430341 0.500828 0.395398 O\n0.626740 0.904231 0.677321 O\n0.373260 0.095769 0.322679 O\n0.153729 0.124310 0.694297 O\n0.846271 0.875690 0.305703 O\n0.591539 0.209447 0.794765 O\n0.408461 0.790553 0.205235 O\n0.838025 0.587805 0.783026 O\n0.161975 0.412195 0.216974 O\n0.151206 0.389126 0.848764 O\n0.848794 0.610874 0.151236 O\n0.873769 0.990441 0.959945 O\n0.126231 0.009559 0.040055 O\n0.412166 0.781964 0.797258 O\n0.587834 0.218036 0.202742 O\n0.336109 0.944834 0.431634 O\n0.663891 0.055166 0.568366 O\n",
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{
"id": "mp-1041638",
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"structure_string": "Cr6 As8 O32\n1.0\n5.001325 0.000000 0.000000\n0.000000 8.671889 0.000000\n0.000000 5.991461 14.629260\nCr As O\n6 8 32\ndirect\n0.434340 0.222428 0.630300 Cr\n0.565660 0.777572 0.369700 Cr\n0.934340 0.777572 0.869700 Cr\n0.065660 0.222428 0.130300 Cr\n0.000000 0.500000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n0.066708 0.041751 0.354314 As\n0.433416 0.429614 0.396395 As\n0.933416 0.570386 0.103605 As\n0.066584 0.429614 0.896395 As\n0.933292 0.958249 0.645686 As\n0.566584 0.570386 0.603605 As\n0.433292 0.041751 0.854314 As\n0.566708 0.958249 0.145686 As\n0.506568 0.794749 0.250828 O\n0.780158 0.688942 0.995165 O\n0.376864 0.349102 0.319538 O\n0.401741 0.115599 0.164796 O\n0.623136 0.650898 0.680462 O\n0.993432 0.794749 0.750828 O\n0.876864 0.650898 0.180462 O\n0.745409 0.508940 0.897400 O\n0.547228 0.107161 0.937213 O\n0.493432 0.205251 0.749172 O\n0.098259 0.115599 0.664796 O\n0.254591 0.491060 0.102600 O\n0.262995 0.612729 0.398842 O\n0.452772 0.892839 0.062787 O\n0.602895 0.035884 0.625317 O\n0.102895 0.964116 0.874683 O\n0.762995 0.387271 0.101158 O\n0.123136 0.349102 0.819538 O\n0.047228 0.892839 0.562787 O\n0.245409 0.491060 0.602600 O\n0.897105 0.035884 0.125317 O\n0.397105 0.964116 0.374683 O\n0.219842 0.311058 0.004835 O\n0.280158 0.311058 0.504835 O\n0.737005 0.387271 0.601158 O\n0.006568 0.205251 0.249172 O\n0.598259 0.884401 0.835204 O\n0.952772 0.107161 0.437213 O\n0.719842 0.688942 0.495165 O\n0.754591 0.508940 0.397400 O\n0.237005 0.612729 0.898842 O\n0.901741 0.884401 0.335204 O\n",
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{
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{
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{
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},
{
"id": "mp-1236029",
"created_at": "2022-09-04T14:41:08.105834Z",
"structure_string": "Li1 Ho2 Ta2 O8\n1.0\n4.947528 -0.179167 -1.757351\n-1.500768 4.789442 -1.920397\n0.009837 0.096333 6.473617\nLi Ho Ta O\n1 2 2 8\ndirect\n0.916102 0.666102 0.332204 Li\n0.378547 0.628547 0.257093 Ho\n0.608562 0.358562 0.717125 Ho\n0.839945 0.089945 0.179889 Ta\n0.164517 0.914517 0.829035 Ta\n0.003478 0.772099 0.061848 O\n0.558370 0.289748 0.061848 O\n0.989498 0.211347 0.937309 O\n0.447809 0.725961 0.937309 O\n0.213773 0.350547 0.415847 O\n0.702074 0.065299 0.415847 O\n0.796053 0.652771 0.577324 O\n0.281271 0.924553 0.577324 O\n",
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{
"id": "mp-561361",
"created_at": "2022-09-04T14:41:08.120470Z",
"structure_string": "Hg8 Mo8 O28\n1.0\n3.945660 6.161208 0.000000\n-3.945660 6.161208 0.000000\n0.000000 4.119597 14.356384\nHg Mo O\n8 8 28\ndirect\n0.926464 0.239047 0.434014 Hg\n0.073536 0.760953 0.565986 Hg\n0.760953 0.073536 0.065986 Hg\n0.239047 0.926464 0.934014 Hg\n0.386144 0.742286 0.437498 Hg\n0.613856 0.257714 0.562502 Hg\n0.742286 0.386144 0.937498 Hg\n0.257714 0.613856 0.062502 Hg\n0.826011 0.857095 0.815825 Mo\n0.630234 0.674236 0.690265 Mo\n0.674236 0.630234 0.190265 Mo\n0.173989 0.142905 0.184175 Mo\n0.857095 0.826011 0.315825 Mo\n0.142905 0.173989 0.684175 Mo\n0.325764 0.369766 0.809735 Mo\n0.369766 0.325764 0.309735 Mo\n0.192416 0.105857 0.574237 O\n0.976976 0.023024 0.750000 O\n0.641816 0.723239 0.329366 O\n0.801112 0.833441 0.669958 O\n0.894143 0.807584 0.925763 O\n0.833441 0.801112 0.169958 O\n0.807584 0.894143 0.425763 O\n0.606178 0.125842 0.276808 O\n0.380538 0.326028 0.424834 O\n0.581974 0.062824 0.826941 O\n0.874158 0.393822 0.223192 O\n0.393822 0.874158 0.723192 O\n0.062824 0.581974 0.326941 O\n0.358184 0.276761 0.670634 O\n0.105857 0.192416 0.074237 O\n0.198888 0.166559 0.330042 O\n0.937176 0.418026 0.673059 O\n0.023024 0.976976 0.250000 O\n0.553004 0.446996 0.750000 O\n0.723239 0.641816 0.829366 O\n0.673972 0.619462 0.075166 O\n0.276761 0.358184 0.170634 O\n0.326028 0.380538 0.924834 O\n0.446996 0.553004 0.250000 O\n0.125842 0.606178 0.776808 O\n0.619462 0.673972 0.575166 O\n0.166559 0.198888 0.830042 O\n0.418026 0.937176 0.173059 O\n",
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{
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"structure_string": "Ba1 Na1 Pr1 Fe1 O6\n1.0\n0.000000 -4.201431 -4.201431\n4.201431 0.000000 -4.201431\n4.201431 -4.201431 0.000000\nBa Na Pr Fe O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Fe\n0.776663 0.223337 0.223337 O\n0.223337 0.776663 0.776663 O\n0.776663 0.223337 0.776663 O\n0.223337 0.776663 0.223337 O\n0.776663 0.776663 0.223337 O\n0.223337 0.223337 0.776663 O\n",
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"formula_full": "Ba1 Na1 Pr1 Fe1 O6",
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{
"id": "mp-1235661",
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"structure_string": "Li1 Fe8 O8 F8\n1.0\n9.673218 0.086278 -0.020689\n0.090249 9.615312 -0.023093\n-0.006676 -0.007446 3.085268\nLi Fe O F\n1 8 8 8\ndirect\n0.988809 0.748581 0.125595 Li\n0.027174 0.013551 0.984194 Fe\n0.999847 0.488568 0.992159 Fe\n0.232146 0.257066 0.494002 Fe\n0.237882 0.741519 0.511901 Fe\n0.517334 0.491112 0.003128 Fe\n0.503886 0.005342 0.001586 Fe\n0.756601 0.274618 0.494762 Fe\n0.736577 0.720849 0.518831 Fe\n0.098088 0.403459 0.494290 O\n0.086145 0.895847 0.486020 O\n0.160287 0.153569 0.991425 O\n0.157490 0.654264 0.008035 O\n0.589432 0.392716 0.501964 O\n0.642908 0.646395 0.014025 O\n0.847615 0.348716 0.996448 O\n0.909393 0.613274 0.507513 O\n0.345942 0.353882 0.998214 F\n0.347300 0.849216 0.005048 F\n0.402724 0.114622 0.499345 F\n0.401612 0.596705 0.507058 F\n0.601422 0.894336 0.503750 F\n0.664843 0.149362 0.995077 F\n0.832196 0.851148 0.002287 F\n0.905405 0.098224 0.488340 F\n",
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]
}