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{
"id": "mp-1200445",
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"structure_string": "Ni2 P4 H28 O24\n1.0\n0.000000 -5.962836 0.000000\n-9.258379 0.000000 0.898456\n-0.105670 0.000000 -9.852935\nNi P H O\n2 4 28 24\ndirect\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.355212 0.570121 0.029196 P\n0.144788 0.070121 0.529196 P\n0.644788 0.429879 0.970804 P\n0.855212 0.929879 0.470804 P\n0.055239 0.450263 0.105509 H\n0.444761 0.950263 0.605509 H\n0.944761 0.549737 0.894491 H\n0.555239 0.049737 0.394491 H\n0.807075 0.110780 0.227768 H\n0.692925 0.610780 0.727768 H\n0.192925 0.889220 0.772232 H\n0.307075 0.389220 0.272232 H\n0.837409 0.241084 0.130763 H\n0.662591 0.741084 0.630763 H\n0.162591 0.758916 0.869237 H\n0.337409 0.258916 0.369237 H\n0.351014 0.886942 0.110824 H\n0.148986 0.386942 0.610824 H\n0.648986 0.113058 0.889176 H\n0.851014 0.613058 0.389176 H\n0.273414 0.021535 0.209847 H\n0.226586 0.521535 0.709847 H\n0.726586 0.978465 0.790153 H\n0.773414 0.478465 0.290153 H\n0.723509 0.789551 0.085475 H\n0.776491 0.289551 0.585475 H\n0.276491 0.210449 0.914525 H\n0.223509 0.710449 0.414525 H\n0.910441 0.817481 0.196103 H\n0.589559 0.317481 0.696103 H\n0.089559 0.182519 0.803897 H\n0.410441 0.682519 0.303897 H\n0.445511 0.704718 0.109777 O\n0.054489 0.204718 0.609777 O\n0.554489 0.295282 0.890223 O\n0.945511 0.795282 0.390223 O\n0.210195 0.588969 0.903149 O\n0.289805 0.088969 0.403149 O\n0.789805 0.411031 0.096851 O\n0.710195 0.911031 0.596851 O\n0.215968 0.476971 0.129951 O\n0.284032 0.976971 0.629951 O\n0.784032 0.523029 0.870049 O\n0.715968 0.023029 0.370049 O\n0.895901 0.145908 0.153309 O\n0.604099 0.645908 0.653309 O\n0.104099 0.854092 0.846691 O\n0.395901 0.354092 0.346691 O\n0.294120 0.987269 0.113244 O\n0.205880 0.487269 0.613244 O\n0.705880 0.012731 0.886756 O\n0.794120 0.512731 0.386756 O\n0.880747 0.820576 0.097847 O\n0.619253 0.320576 0.597847 O\n0.119253 0.179424 0.902153 O\n0.380747 0.679424 0.402153 O\n",
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"updated_at": "2021-11-28T01:37:55.237000Z",
"spacegroup": 14
},
{
"id": "mp-6016",
"created_at": "2022-09-04T14:45:54.826747Z",
"structure_string": "Nd4 Al4 Ge8 O28\n1.0\n6.596161 0.000000 0.000000\n0.000000 7.329127 0.000000\n0.000000 5.997272 11.406688\nNd Al Ge O\n4 4 8 28\ndirect\n0.852194 0.761786 0.473115 Nd\n0.352194 0.238214 0.026885 Nd\n0.147806 0.238214 0.526885 Nd\n0.647806 0.761786 0.973115 Nd\n0.601357 0.786398 0.229456 Al\n0.898643 0.786398 0.729456 Al\n0.398643 0.213602 0.770544 Al\n0.101357 0.213602 0.270544 Al\n0.158052 0.789860 0.950198 Ge\n0.589241 0.302830 0.280426 Ge\n0.341948 0.789860 0.450198 Ge\n0.841948 0.210140 0.049802 Ge\n0.410759 0.697170 0.719574 Ge\n0.910759 0.302830 0.780426 Ge\n0.089241 0.697170 0.219574 Ge\n0.658052 0.210140 0.549802 Ge\n0.620004 0.573071 0.196547 O\n0.120004 0.426929 0.303453 O\n0.379996 0.426929 0.803453 O\n0.879996 0.573071 0.696547 O\n0.817059 0.160034 0.312691 O\n0.317059 0.839966 0.187309 O\n0.182941 0.839966 0.687309 O\n0.682941 0.160034 0.812691 O\n0.382950 0.224322 0.223430 O\n0.882950 0.775678 0.276570 O\n0.617050 0.775678 0.776570 O\n0.117050 0.224322 0.723430 O\n0.826075 0.406731 0.524374 O\n0.326075 0.593269 0.975626 O\n0.173925 0.593269 0.475626 O\n0.673925 0.406731 0.024374 O\n0.998466 0.248944 0.927144 O\n0.498466 0.751056 0.572856 O\n0.001534 0.751056 0.072856 O\n0.501534 0.248944 0.427144 O\n0.659312 0.006339 0.085169 O\n0.159312 0.993661 0.414831 O\n0.340688 0.993661 0.914831 O\n0.840688 0.006339 0.585169 O\n0.051518 0.205357 0.135329 O\n0.551518 0.794643 0.364671 O\n0.948482 0.794643 0.864671 O\n0.448482 0.205357 0.635329 O\n",
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"formula_full": "Nd4 Al4 Ge8 O28",
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{
"id": "mp-1213060",
"created_at": "2022-09-04T14:42:55.457769Z",
"structure_string": "Dy4 Al4 Ge8 O28\n1.0\n6.538476 0.000000 0.000000\n0.000000 7.224430 0.000000\n0.000000 5.913619 11.229141\nDy Al Ge O\n4 4 8 28\ndirect\n0.355074 0.743285 0.528812 Dy\n0.644926 0.256715 0.471188 Dy\n0.855074 0.256715 0.971188 Dy\n0.144926 0.743285 0.028812 Dy\n0.398899 0.709948 0.272008 Al\n0.601101 0.290052 0.727992 Al\n0.898899 0.290052 0.227992 Al\n0.101101 0.709948 0.772008 Al\n0.656472 0.713718 0.046600 Ge\n0.343528 0.286282 0.953400 Ge\n0.156472 0.286282 0.453400 Ge\n0.843528 0.713718 0.546600 Ge\n0.910057 0.803492 0.277343 Ge\n0.089943 0.196508 0.722657 Ge\n0.410057 0.196508 0.222657 Ge\n0.589943 0.803492 0.777343 Ge\n0.377996 0.922727 0.308888 O\n0.622004 0.077273 0.691112 O\n0.877996 0.077273 0.191112 O\n0.122004 0.922727 0.808888 O\n0.828693 0.911296 0.022221 O\n0.171307 0.088704 0.977779 O\n0.328693 0.088704 0.477779 O\n0.671307 0.911296 0.522221 O\n0.616712 0.279353 0.279468 O\n0.383288 0.720647 0.720532 O\n0.116712 0.720647 0.220532 O\n0.883288 0.279353 0.779468 O\n0.004445 0.751036 0.424300 O\n0.995555 0.248964 0.575700 O\n0.504445 0.248964 0.075700 O\n0.495555 0.751036 0.924300 O\n0.443534 0.708271 0.132372 O\n0.556466 0.291729 0.867628 O\n0.943534 0.291729 0.367628 O\n0.056466 0.708271 0.632372 O\n0.845893 0.512600 0.081616 O\n0.154107 0.487400 0.918384 O\n0.345893 0.487400 0.418384 O\n0.654107 0.512600 0.581616 O\n0.682843 0.655633 0.312669 O\n0.317157 0.344367 0.687331 O\n0.182843 0.344367 0.187331 O\n0.817157 0.655633 0.812669 O\n",
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"formula_full": "Dy4 Al4 Ge8 O28",
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{
"id": "mp-1277753",
"created_at": "2022-09-04T14:40:01.718299Z",
"structure_string": "Ca2 Mn14 O24\n1.0\n-0.006081 -7.636035 -0.008382\n-0.011419 -0.008037 -7.432140\n7.436084 0.005664 0.010656\nCa Mn O\n2 14 24\ndirect\n0.999784 0.998697 0.002983 Ca\n0.500708 0.501603 0.496387 Ca\n0.998597 0.499373 0.506002 Mn\n0.497988 0.998998 0.496343 Mn\n0.499123 0.498766 0.001557 Mn\n0.750683 0.750162 0.750086 Mn\n0.749888 0.249452 0.249565 Mn\n0.250410 0.750250 0.249820 Mn\n0.249355 0.250196 0.750134 Mn\n0.501180 0.000541 0.990794 Mn\n0.001705 0.501122 0.004295 Mn\n0.001228 0.001770 0.499103 Mn\n0.250844 0.249577 0.249881 Mn\n0.250163 0.749797 0.750055 Mn\n0.749693 0.250058 0.750125 Mn\n0.749602 0.750736 0.249931 Mn\n0.983940 0.690531 0.825084 O\n0.517073 0.182223 0.314861 O\n0.515091 0.810882 0.676265 O\n0.982340 0.316789 0.184762 O\n0.483674 0.193423 0.670337 O\n0.016971 0.692679 0.178393 O\n0.017010 0.306561 0.829916 O\n0.483628 0.806923 0.322896 O\n0.175879 0.986038 0.311581 O\n0.676904 0.502021 0.808428 O\n0.324420 0.513592 0.188453 O\n0.823283 0.998333 0.692411 O\n0.323053 0.498971 0.806192 O\n0.831203 0.015113 0.306594 O\n0.176943 0.000798 0.694841 O\n0.669046 0.485039 0.193173 O\n0.694909 0.177106 0.999660 O\n0.191583 0.675328 0.498355 O\n0.805592 0.322877 0.499812 O\n0.307626 0.824380 0.001986 O\n0.179593 0.317826 0.514847 O\n0.685231 0.821307 0.985565 O\n0.318703 0.181172 0.984433 O\n0.815352 0.678990 0.514092 O\n",
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"formula_full": "Ca2 Mn14 O24",
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{
"id": "mp-1205690",
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"structure_string": "Sr8 Nb4 Cr4 O24\n1.0\n0.000000 0.000000 -8.016093\n8.016093 0.000000 0.000000\n4.008046 -8.016093 -4.008046\nSr Nb Cr O\n8 4 4 24\ndirect\n0.625000 0.625000 0.250000 Sr\n0.875000 0.375000 0.750000 Sr\n0.125000 0.125000 0.250000 Sr\n0.375000 0.875000 0.750000 Sr\n0.375000 0.375000 0.750000 Sr\n0.625000 0.125000 0.250000 Sr\n0.875000 0.875000 0.750000 Sr\n0.125000 0.625000 0.250000 Sr\n0.250000 0.750000 0.500000 Nb\n0.500000 0.500000 0.000000 Nb\n0.750000 0.250000 0.500000 Nb\n0.000000 0.000000 0.000000 Nb\n0.750000 0.750000 0.500000 Cr\n0.000000 0.500000 0.000000 Cr\n0.500000 0.000000 0.000000 Cr\n0.250000 0.250000 0.500000 Cr\n0.500000 0.750171 0.000000 O\n0.750000 0.500171 0.500000 O\n0.000000 0.250171 0.000000 O\n0.250000 0.000171 0.500000 O\n0.500000 0.249829 0.000000 O\n0.750000 0.999829 0.500000 O\n0.000000 0.749829 0.000000 O\n0.250000 0.499829 0.500000 O\n0.375085 0.875085 0.249829 O\n0.625085 0.625085 0.749829 O\n0.875085 0.375085 0.249829 O\n0.125085 0.125085 0.749829 O\n0.624915 0.124915 0.750171 O\n0.874915 0.874915 0.250171 O\n0.124915 0.624915 0.750171 O\n0.374915 0.374915 0.250171 O\n0.749829 0.000000 0.000000 O\n0.999829 0.750000 0.500000 O\n0.249829 0.500000 0.000000 O\n0.499829 0.250000 0.500000 O\n0.250171 0.000000 0.000000 O\n0.500171 0.750000 0.500000 O\n0.750171 0.500000 0.000000 O\n0.000171 0.250000 0.500000 O\n",
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{
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"structure_string": "Cr6 Si12 N22\n1.0\n9.804347 0.000000 0.000000\n0.000000 9.804347 0.000000\n0.000000 0.000000 4.807737\nCr Si N\n6 12 22\ndirect\n0.289214 0.789214 0.937679 Cr\n0.710786 0.210786 0.937679 Cr\n0.210786 0.289214 0.937679 Cr\n0.789214 0.710786 0.937679 Cr\n0.500000 0.500000 0.919911 Cr\n0.000000 0.000000 0.919911 Cr\n0.417230 0.296414 0.529571 Si\n0.582770 0.703586 0.529571 Si\n0.082770 0.796414 0.529571 Si\n0.917230 0.203586 0.529571 Si\n0.296414 0.582770 0.529571 Si\n0.703586 0.417230 0.529571 Si\n0.796414 0.917230 0.529571 Si\n0.203586 0.082770 0.529571 Si\n0.882749 0.382749 0.057516 Si\n0.117251 0.617251 0.057516 Si\n0.617251 0.882749 0.057516 Si\n0.382749 0.117251 0.057516 Si\n0.320342 0.425152 0.679261 N\n0.679658 0.574847 0.679261 N\n0.179658 0.925153 0.679261 N\n0.820342 0.074847 0.679261 N\n0.425152 0.679658 0.679261 N\n0.574847 0.320342 0.679261 N\n0.925153 0.820342 0.679261 N\n0.074847 0.179658 0.679261 N\n0.404751 0.286129 0.175952 N\n0.595249 0.713871 0.175952 N\n0.095249 0.786129 0.175952 N\n0.904751 0.213871 0.175952 N\n0.286129 0.595249 0.175952 N\n0.713871 0.404751 0.175952 N\n0.786129 0.904751 0.175952 N\n0.213871 0.095249 0.175952 N\n0.841700 0.341700 0.706066 N\n0.158300 0.658300 0.706066 N\n0.658300 0.841700 0.706066 N\n0.341700 0.158300 0.706066 N\n0.500000 0.000000 0.106968 N\n0.000000 0.500000 0.106968 N\n",
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"formula_full": "Cr6 Si12 N22",
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},
{
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"structure_string": "Gd8 Ge4 O20\n1.0\n7.142321 0.000000 0.000000\n0.000000 6.895144 0.000000\n0.000000 2.429114 9.104271\nGd Ge O\n8 4 20\ndirect\n0.364326 0.956527 0.365618 Gd\n0.635674 0.043473 0.634382 Gd\n0.135674 0.456527 0.365618 Gd\n0.127296 0.269020 0.025944 Gd\n0.627296 0.230980 0.974056 Gd\n0.872704 0.730980 0.974056 Gd\n0.864326 0.543473 0.634382 Gd\n0.372704 0.769020 0.025944 Gd\n0.091847 0.023613 0.698335 Ge\n0.908153 0.976387 0.301665 Ge\n0.591847 0.476387 0.301665 Ge\n0.408153 0.523613 0.698335 Ge\n0.417111 0.672739 0.284081 O\n0.061078 0.780556 0.389252 O\n0.797182 0.506119 0.391465 O\n0.864428 0.008302 0.109084 O\n0.616488 0.932768 0.889937 O\n0.635572 0.508302 0.109084 O\n0.297182 0.993881 0.608535 O\n0.383512 0.067232 0.110063 O\n0.135572 0.991698 0.890916 O\n0.582889 0.327261 0.715919 O\n0.438922 0.280556 0.389252 O\n0.202818 0.493881 0.608535 O\n0.938922 0.219444 0.610748 O\n0.082889 0.172739 0.284081 O\n0.917111 0.827261 0.715919 O\n0.561078 0.719444 0.610748 O\n0.364428 0.491698 0.890916 O\n0.883512 0.432768 0.889937 O\n0.702818 0.006119 0.391465 O\n0.116488 0.567232 0.110063 O\n",
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