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{
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{
"id": "mp-1080013",
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{
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"structure_string": "Tb5 O9\n1.0\n-4.241893 4.241893 2.826300\n4.241893 -4.241893 2.826300\n4.241893 4.241893 -2.826300\nTb O\n5 9\ndirect\n0.556979 0.890868 0.898590 Tb\n0.992278 0.658389 0.101410 Tb\n0.341611 0.443021 0.333889 Tb\n0.109132 0.007722 0.666111 Tb\n0.750000 0.250000 0.500000 Tb\n0.000000 0.000000 0.000000 O\n0.909227 0.308889 0.214789 O\n0.691111 0.905900 0.600338 O\n0.305562 0.090773 0.399662 O\n0.231180 0.414228 0.645220 O\n0.769007 0.585960 0.354780 O\n0.414040 0.768820 0.183048 O\n0.094100 0.694438 0.785211 O\n0.585772 0.230993 0.816952 O\n",
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{
"id": "mp-1197690",
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"structure_string": "K10 Pt8 N18 O48\n1.0\n10.124918 0.000000 0.000000\n3.201208 9.871790 0.000000\n3.968700 4.016681 14.464519\nK Pt N O\n10 8 18 48\ndirect\n0.903509 0.367160 0.443036 K\n0.096491 0.632840 0.556964 K\n0.722793 0.364809 0.715997 K\n0.277207 0.635191 0.284003 K\n0.905734 0.837190 0.966787 K\n0.094266 0.162810 0.033213 K\n0.638725 0.625194 0.869943 K\n0.361275 0.374806 0.130057 K\n0.639165 0.041253 0.378463 K\n0.360835 0.958747 0.621537 K\n0.564798 0.701163 0.378746 Pt\n0.435202 0.298837 0.621254 Pt\n0.846795 0.763343 0.262613 Pt\n0.153205 0.236657 0.737387 Pt\n0.558873 0.890060 0.167653 Pt\n0.441127 0.109940 0.832347 Pt\n0.714974 0.569103 0.209872 Pt\n0.285026 0.430897 0.790128 Pt\n0.626108 0.183405 0.582039 N\n0.373892 0.816595 0.417961 N\n0.623359 0.682385 0.497018 N\n0.376641 0.317615 0.502982 N\n0.926669 0.741697 0.372227 N\n0.073331 0.258303 0.627773 N\n0.915355 0.933648 0.189176 N\n0.084645 0.066352 0.810824 N\n0.615805 0.066549 0.091048 N\n0.384195 0.933451 0.908952 N\n0.646727 0.012167 0.823421 N\n0.353273 0.987833 0.176579 N\n0.657216 0.383499 0.279924 N\n0.342784 0.616501 0.720076 N\n0.661517 0.579826 0.088290 N\n0.338483 0.420174 0.911710 N\n0.916431 0.454693 0.168196 N\n0.083569 0.545307 0.831804 N\n0.762849 0.764059 0.154860 O\n0.237151 0.235941 0.845140 O\n0.523793 0.699349 0.254645 O\n0.476207 0.300651 0.745355 O\n0.761112 0.589809 0.326610 O\n0.238888 0.410191 0.673390 O\n0.733040 0.223174 0.578344 O\n0.266960 0.776826 0.421656 O\n0.638661 0.071302 0.563268 O\n0.361339 0.928698 0.436732 O\n0.601040 0.785097 0.528706 O\n0.398960 0.214903 0.471294 O\n0.688598 0.562533 0.537671 O\n0.311402 0.437467 0.462329 O\n0.988284 0.375535 0.598712 O\n0.011716 0.624465 0.401288 O\n0.894215 0.833145 0.415003 O\n0.105785 0.166855 0.584997 O\n0.979203 0.934825 0.108198 O\n0.020797 0.065175 0.891802 O\n0.891417 0.037603 0.219662 O\n0.108583 0.962397 0.780338 O\n0.673386 0.073746 0.008606 O\n0.326614 0.926254 0.991394 O\n0.598093 0.163960 0.126571 O\n0.401907 0.836040 0.873429 O\n0.689719 0.881278 0.854460 O\n0.310281 0.118722 0.145540 O\n0.733109 0.086555 0.790791 O\n0.266891 0.913445 0.209209 O\n0.546977 0.363835 0.271087 O\n0.453023 0.636165 0.728913 O\n0.734816 0.294925 0.333956 O\n0.265184 0.705075 0.666044 O\n0.551042 0.553767 0.086098 O\n0.448958 0.446233 0.913902 O\n0.743882 0.620603 0.016645 O\n0.256118 0.379397 0.983355 O\n0.983446 0.520151 0.813445 O\n0.016554 0.479849 0.186555 O\n0.930011 0.366564 0.126653 O\n0.069989 0.633436 0.873347 O\n0.859200 0.840999 0.656319 O\n0.140800 0.159001 0.343681 O\n0.811026 0.736711 0.677798 O\n0.188974 0.263289 0.322202 O\n0.761524 0.318785 0.901341 O\n0.238476 0.681215 0.098659 O\n",
"nsites": 84,
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"elements": [
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"N",
"O"
],
"chemical_system": "K-N-O-Pt",
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"density_atomic": 0.05810156987887182,
"volume": 1445.7440681055666,
"volume_molar": 10.364850334603274,
"formula_full": "K10 Pt8 N18 O48",
"formula_reduced": "K5Pt4(N3O8)3",
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"updated_at": "2021-11-28T01:34:58.591000Z",
"spacegroup": 2
},
{
"id": "mp-396",
"created_at": "2022-09-04T14:40:29.449535Z",
"structure_string": "Yb1 Ga1\n1.0\n3.650813 0.000000 0.000000\n0.000000 3.650813 0.000000\n0.000000 0.000000 3.531405\nYb Ga\n1 1\ndirect\n0.500000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Ga\n",
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"chemical_system": "Ga-Yb",
"density": 8.56455670229683,
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"volume": 47.06810398218372,
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"formula_full": "Yb1 Ga1",
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"spacegroup": 123
},
{
"id": "mp-639228",
"created_at": "2022-09-04T14:40:29.408023Z",
"structure_string": "Tb8 Mn12 Si20\n1.0\n10.573674 0.000000 0.000000\n0.000000 10.573674 0.000000\n0.000000 0.000000 5.444905\nTb Mn Si\n8 12 20\ndirect\n0.075088 0.236401 0.000000 Tb\n0.575088 0.263599 0.500000 Tb\n0.736401 0.575088 0.500000 Tb\n0.924912 0.763599 0.000000 Tb\n0.424912 0.736401 0.500000 Tb\n0.236401 0.924912 0.000000 Tb\n0.763599 0.075088 0.000000 Tb\n0.263599 0.424912 0.500000 Tb\n0.878587 0.145945 0.500000 Mn\n0.621413 0.645945 0.000000 Mn\n0.378587 0.354055 0.000000 Mn\n0.145945 0.121413 0.500000 Mn\n0.645945 0.378587 0.000000 Mn\n0.500000 0.000000 0.750000 Mn\n0.354055 0.621413 0.000000 Mn\n0.854055 0.878587 0.500000 Mn\n0.121413 0.854055 0.500000 Mn\n0.500000 0.000000 0.250000 Mn\n0.000000 0.500000 0.250000 Mn\n0.000000 0.500000 0.750000 Mn\n0.000000 0.000000 0.737932 Si\n0.674625 0.825375 0.250000 Si\n0.476729 0.815461 0.000000 Si\n0.815461 0.523271 0.000000 Si\n0.315461 0.976729 0.500000 Si\n0.976729 0.684539 0.500000 Si\n0.184539 0.476729 0.000000 Si\n0.674625 0.825375 0.750000 Si\n0.174625 0.674625 0.250000 Si\n0.023271 0.315461 0.500000 Si\n0.500000 0.500000 0.762068 Si\n0.174625 0.674625 0.750000 Si\n0.325375 0.174625 0.750000 Si\n0.325375 0.174625 0.250000 Si\n0.500000 0.500000 0.237932 Si\n0.523271 0.184539 0.000000 Si\n0.825375 0.325375 0.750000 Si\n0.000000 0.000000 0.262068 Si\n0.684539 0.023271 0.500000 Si\n0.825375 0.325375 0.250000 Si\n",
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"elements": [
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],
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"density": 6.7985979339143165,
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"volume": 608.7544369730364,
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"formula_full": "Tb8 Mn12 Si20",
"formula_reduced": "Tb2Mn3Si5",
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"spacegroup": 128
},
{
"id": "mp-677001",
"created_at": "2022-09-04T14:40:29.415278Z",
"structure_string": "Sr2 Al14 Tl10 Si10 O48\n1.0\n12.483420 0.000000 0.000000\n-0.067600 12.560090 0.000000\n-0.037401 -0.238867 12.562458\nSr Al Tl Si O\n2 14 10 10 48\ndirect\n0.825404 0.690223 0.350756 Sr\n0.281537 0.517238 0.457048 Sr\n0.184234 0.370866 0.006036 Al\n0.368223 0.168284 0.000009 Al\n0.808140 0.368294 0.010754 Al\n0.007832 0.818697 0.376028 Al\n0.809912 0.992959 0.374546 Al\n0.003689 0.177367 0.363854 Al\n0.183874 0.996504 0.616938 Al\n0.990280 0.800057 0.616735 Al\n0.814608 0.005272 0.633382 Al\n0.000822 0.179469 0.632911 Al\n0.364882 0.977217 0.821140 Al\n0.625850 0.984712 0.831032 Al\n0.998262 0.633267 0.832874 Al\n0.992598 0.373580 0.820615 Al\n0.252371 0.753426 0.260865 Tl\n0.014085 0.408913 0.544626 Tl\n0.684330 0.823773 0.596119 Tl\n0.273147 0.775546 0.624536 Tl\n0.888699 0.998504 0.147215 Tl\n0.134134 0.152570 0.122035 Tl\n0.123167 0.870468 0.862745 Tl\n0.860512 0.868205 0.855316 Tl\n0.141096 0.150069 0.856219 Tl\n0.872592 0.141122 0.878683 Tl\n0.374762 0.801585 0.011373 Si\n0.187685 0.623629 0.003698 Si\n0.622504 0.802672 0.012407 Si\n0.812097 0.626089 0.018572 Si\n0.630485 0.170521 0.007489 Si\n0.620568 0.993203 0.185990 Si\n0.996239 0.374116 0.192697 Si\n0.375142 0.990779 0.186670 Si\n0.003487 0.621493 0.184022 Si\n0.193274 0.006323 0.369409 Si\n0.290698 0.703177 0.032679 O\n0.707352 0.705387 0.032268 O\n0.504156 0.192127 0.997122 O\n0.773202 0.504879 0.009360 O\n0.702819 0.276333 0.020500 O\n0.628154 0.879386 0.118616 O\n0.105548 0.356619 0.123196 O\n0.361665 0.873145 0.123521 O\n0.106147 0.642412 0.107800 O\n0.889504 0.353999 0.124212 O\n0.653764 0.093799 0.112956 O\n0.882251 0.646180 0.134974 O\n0.338338 0.086185 0.111989 O\n0.497238 0.003273 0.230120 O\n0.001523 0.503152 0.236394 O\n0.002921 0.299272 0.296576 O\n0.703856 0.985193 0.283093 O\n0.296164 0.978199 0.289773 O\n0.014459 0.707232 0.282379 O\n0.121311 0.895122 0.353850 O\n0.879541 0.869306 0.342011 O\n0.129133 0.111533 0.329494 O\n0.899831 0.089195 0.326242 O\n0.236568 0.018779 0.489998 O\n0.972140 0.740806 0.487270 O\n0.002467 0.212962 0.498626 O\n0.762898 0.995558 0.503925 O\n0.110637 0.875024 0.605365 O\n0.879658 0.879897 0.646468 O\n0.117938 0.107636 0.669593 O\n0.886461 0.114398 0.680734 O\n0.005375 0.305327 0.696376 O\n0.708375 0.969945 0.719468 O\n0.281504 0.946694 0.708536 O\n0.006070 0.725334 0.731322 O\n0.991543 0.505061 0.788493 O\n0.496155 0.981164 0.791745 O\n0.655280 0.866929 0.906735 O\n0.109544 0.333603 0.891297 O\n0.337113 0.866578 0.908019 O\n0.122580 0.666800 0.901652 O\n0.890578 0.667547 0.923890 O\n0.879662 0.330003 0.893765 O\n0.319268 0.095688 0.885265 O\n0.673015 0.098523 0.903983 O\n0.497642 0.756906 0.004762 O\n0.227049 0.503445 0.998308 O\n0.278982 0.271575 0.021233 O\n",
"nsites": 84,
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],
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"volume": 1969.7039534658318,
"volume_molar": 14.12123150392825,
"formula_full": "Sr2 Al14 Tl10 Si10 O48",
"formula_reduced": "SrAl7Tl5Si5O24",
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{
"id": "mp-7986",
"created_at": "2022-09-04T14:40:29.423231Z",
"structure_string": "Ca1 Sn1 O3\n1.0\n4.066424 0.000000 0.000000\n0.000000 4.066424 0.000000\n0.000000 0.000000 4.066424\nCa Sn O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Sn\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n",
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{
"id": "mp-1178577",
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"structure_string": "Al4 Fe4 O12\n1.0\n2.481910 -4.298525 -0.000018\n2.481671 4.298388 0.000017\n-2.481762 -1.432711 9.051719\nAl Fe O\n4 4 12\ndirect\n0.075765 0.151543 0.227327 Al\n0.575765 0.151543 0.727327 Al\n0.424235 0.848457 0.272673 Al\n0.924235 0.848457 0.772673 Al\n0.321148 0.642336 0.963498 Fe\n0.678852 0.357664 0.036502 Fe\n0.821148 0.642336 0.463498 Fe\n0.178852 0.357664 0.536502 Fe\n0.362464 0.051757 0.131088 O\n0.862464 0.051757 0.631088 O\n0.420624 0.558210 0.368931 O\n0.920624 0.558210 0.868931 O\n0.810695 0.231348 0.368930 O\n0.310695 0.231348 0.868930 O\n0.689304 0.768652 0.131069 O\n0.189304 0.768652 0.631069 O\n0.079376 0.441790 0.131069 O\n0.579376 0.441790 0.631069 O\n0.137536 0.948243 0.368913 O\n0.637536 0.948243 0.868913 O\n",
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