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{
"id": "mp-558711",
"created_at": "2022-09-04T14:39:07.445608Z",
"structure_string": "V6 Cd10 P12 O50\n1.0\n2.403419 8.572902 0.000000\n-2.403419 8.572902 0.000000\n0.000000 5.591743 23.990993\nV Cd P O\n6 10 12 50\ndirect\n0.773407 0.764900 0.087058 V\n0.060420 0.939580 0.250000 V\n0.226593 0.235100 0.912942 V\n0.939580 0.060420 0.750000 V\n0.235100 0.226593 0.412942 V\n0.764900 0.773407 0.587058 V\n0.583905 0.536838 0.116444 Cd\n0.536838 0.583905 0.616444 Cd\n0.416095 0.463162 0.883556 Cd\n0.463162 0.416095 0.383556 Cd\n0.692943 0.641010 0.291376 Cd\n0.358990 0.307057 0.208624 Cd\n0.307057 0.358990 0.708624 Cd\n0.641010 0.692943 0.791376 Cd\n0.000000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.188931 0.163731 0.674524 P\n0.811069 0.836269 0.325476 P\n0.163731 0.188931 0.174524 P\n0.836269 0.811069 0.825476 P\n0.673918 0.625995 0.496925 P\n0.115854 0.027148 0.359206 P\n0.374005 0.326082 0.003075 P\n0.625995 0.673918 0.996925 P\n0.972852 0.884146 0.140794 P\n0.884146 0.972852 0.640794 P\n0.027148 0.115854 0.859206 P\n0.326082 0.374005 0.503075 P\n0.437175 0.197366 0.951532 O\n0.137571 0.855715 0.092354 O\n0.019323 0.291684 0.864415 O\n0.708316 0.980677 0.635585 O\n0.754702 0.054631 0.811805 O\n0.686710 0.911852 0.270801 O\n0.942168 0.569840 0.354081 O\n0.662027 0.209535 0.147838 O\n0.313290 0.088148 0.729199 O\n0.144285 0.862429 0.407646 O\n0.280896 0.719104 0.750000 O\n0.337973 0.790465 0.852162 O\n0.444472 0.694188 0.522196 O\n0.569840 0.942168 0.854081 O\n0.911852 0.686710 0.770801 O\n0.057832 0.430160 0.645919 O\n0.868065 0.258054 0.803312 O\n0.945369 0.245298 0.688195 O\n0.131935 0.741946 0.196688 O\n0.873110 0.547282 0.958092 O\n0.741946 0.131935 0.696688 O\n0.054631 0.754702 0.311805 O\n0.100659 0.562467 0.862170 O\n0.655404 0.074548 0.035972 O\n0.790465 0.337973 0.352162 O\n0.802634 0.562825 0.548468 O\n0.126890 0.452718 0.041908 O\n0.344596 0.925452 0.964028 O\n0.862429 0.144285 0.907646 O\n0.694188 0.444472 0.022196 O\n0.719104 0.280896 0.250000 O\n0.437533 0.899341 0.637830 O\n0.855715 0.137571 0.592354 O\n0.074548 0.655404 0.535972 O\n0.547282 0.873110 0.458092 O\n0.305812 0.555528 0.977804 O\n0.430160 0.057832 0.145919 O\n0.258054 0.868065 0.303312 O\n0.555528 0.305812 0.477804 O\n0.899341 0.437533 0.137830 O\n0.925452 0.344596 0.464028 O\n0.291684 0.019323 0.364415 O\n0.088148 0.313290 0.229199 O\n0.980677 0.708316 0.135585 O\n0.562467 0.100659 0.362170 O\n0.197366 0.437175 0.451532 O\n0.245298 0.945369 0.188195 O\n0.209535 0.662027 0.647838 O\n0.452718 0.126890 0.541908 O\n0.562825 0.802634 0.048468 O\n",
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"elements": [
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"volume": 988.6340610732314,
"volume_molar": 7.632940353735173,
"formula_full": "V6 Cd10 P12 O50",
"formula_reduced": "V3Cd5P6O25",
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"energy": -566.2257622899999,
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"updated_at": "2021-11-28T01:34:25.042000Z",
"spacegroup": 15
},
{
"id": "mp-556809",
"created_at": "2022-09-04T14:45:06.486679Z",
"structure_string": "Sr22 Os8 O48\n1.0\n-5.899038 5.899038 8.156395\n5.899038 -5.899038 8.156395\n5.899038 5.899038 -8.156395\nSr Os O\n22 8 48\ndirect\n0.120319 0.932129 0.234822 Sr\n0.033104 0.974632 0.532050 Sr\n0.487290 0.987290 0.500000 Sr\n0.737290 0.737290 0.000000 Sr\n0.114503 0.879681 0.811811 Sr\n0.716896 0.275368 0.967950 Sr\n0.012710 0.512710 0.500000 Sr\n0.635497 0.370319 0.688189 Sr\n0.067871 0.302692 0.188189 Sr\n0.697308 0.885497 0.765178 Sr\n0.682129 0.947308 0.311811 Sr\n0.500000 0.500000 0.000000 Sr\n0.052692 0.364503 0.734822 Sr\n0.250000 0.750000 0.500000 Sr\n0.025368 0.557418 0.058473 Sr\n0.629681 0.317871 0.265178 Sr\n0.307418 0.748946 0.032050 Sr\n0.498946 0.966896 0.941527 Sr\n0.724632 0.692582 0.441527 Sr\n0.442582 0.501054 0.467950 Sr\n0.262710 0.262710 0.000000 Sr\n0.251054 0.283104 0.558473 Sr\n0.875000 0.125000 0.750000 Os\n0.375000 0.625000 0.250000 Os\n0.375000 0.125000 0.750000 Os\n0.875000 0.125000 0.250000 Os\n0.375000 0.625000 0.750000 Os\n0.375000 0.125000 0.250000 Os\n0.875000 0.625000 0.750000 Os\n0.875000 0.625000 0.250000 Os\n0.711007 0.117827 0.248745 O\n0.358834 0.152714 0.417059 O\n0.238841 0.484794 0.512834 O\n0.882173 0.130918 0.593180 O\n0.480046 0.268981 0.765090 O\n0.537738 0.288993 0.406820 O\n0.902714 0.985655 0.293880 O\n0.735655 0.941775 0.582941 O\n0.273993 0.761159 0.245953 O\n0.847286 0.264345 0.206120 O\n0.263045 0.017285 0.521131 O\n0.496153 0.741914 0.478869 O\n0.731019 0.496108 0.211065 O\n0.946172 0.728701 0.973029 O\n0.982715 0.503847 0.245761 O\n0.391166 0.097286 0.082941 O\n0.014345 0.308225 0.917059 O\n0.503892 0.714956 0.234910 O\n0.755672 0.973143 0.026971 O\n0.515206 0.028040 0.754047 O\n0.803828 0.521299 0.526971 O\n0.253847 0.508086 0.021131 O\n0.880918 0.787738 0.748745 O\n0.486955 0.232715 0.978869 O\n0.271299 0.244328 0.217471 O\n0.778040 0.523993 0.012834 O\n0.491914 0.513045 0.745761 O\n0.867827 0.119082 0.906820 O\n0.058225 0.641166 0.793880 O\n0.869082 0.462262 0.751255 O\n0.723143 0.196172 0.717471 O\n0.026857 0.053828 0.782529 O\n0.246108 0.535044 0.265090 O\n0.476007 0.488841 0.254047 O\n0.994328 0.276857 0.473029 O\n0.269954 0.981019 0.734910 O\n0.464956 0.730046 0.711065 O\n0.511159 0.765206 0.987166 O\n0.018981 0.753892 0.288935 O\n0.212262 0.961007 0.093180 O\n0.971960 0.726007 0.487166 O\n0.767285 0.746153 0.254239 O\n0.038993 0.132173 0.251255 O\n0.258086 0.736955 0.754239 O\n0.691775 0.608834 0.706120 O\n0.478701 0.005672 0.282529 O\n0.285044 0.519954 0.788935 O\n0.234794 0.221960 0.745953 O\n",
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"elements": [
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"density_atomic": 0.06870272673243752,
"volume": 1135.3261174592192,
"volume_molar": 8.765504728004759,
"formula_full": "Sr22 Os8 O48",
"formula_reduced": "Sr11(OsO6)4",
"formula_anonymous": "A4B11C24",
"energy": -566.243653,
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"updated_at": "2021-11-28T01:36:51.550000Z",
"spacegroup": 88
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{
"id": "mp-681911",
"created_at": "2022-09-04T14:42:18.188343Z",
"structure_string": "Sm12 Al3 Si15 N21 O21\n1.0\n6.835290 0.000000 0.000000\n-0.041661 6.970998 0.000000\n-2.392980 -0.864284 19.815466\nSm Al Si N O\n12 3 15 21 21\ndirect\n0.297022 0.375617 0.725196 Sm\n0.360519 0.390478 0.421021 Sm\n0.626372 0.440415 0.888982 Sm\n0.773927 0.369336 0.609755 Sm\n0.238654 0.391948 0.065317 Sm\n0.664128 0.370612 0.259564 Sm\n0.125413 0.598206 0.914746 Sm\n0.190642 0.643638 0.567206 Sm\n0.247749 0.613780 0.245199 Sm\n0.816416 0.683256 0.407466 Sm\n0.791784 0.657017 0.752740 Sm\n0.711167 0.597666 0.088683 Sm\n0.962800 0.969799 0.671309 Al\n0.338939 0.790431 0.388792 Al\n0.394866 0.869793 0.011330 Al\n0.007807 0.928563 0.051007 Si\n0.520084 0.034264 0.829523 Si\n0.932344 0.029928 0.344021 Si\n0.411251 0.005512 0.173771 Si\n0.728564 0.904494 0.974068 Si\n0.337518 0.851243 0.702997 Si\n0.558048 0.826447 0.620464 Si\n0.730726 0.829813 0.264945 Si\n0.132756 0.120682 0.895411 Si\n0.124014 0.168692 0.552441 Si\n0.872385 0.206815 0.789874 Si\n0.120971 0.159629 0.264487 Si\n0.903568 0.246730 0.459730 Si\n0.835506 0.198278 0.135689 Si\n0.516645 0.063388 0.495518 Si\n0.561026 0.589832 0.646072 N\n0.496781 0.636951 0.338750 N\n0.617615 0.210689 0.789509 N\n0.421840 0.259126 0.161434 N\n0.674608 0.249134 0.489590 N\n0.592589 0.290549 0.123363 N\n0.157629 0.666867 0.694232 N\n0.525507 0.829917 0.527401 N\n0.959705 0.687990 0.656004 N\n0.008111 0.678999 0.030653 N\n0.467760 0.630101 0.816025 N\n0.467059 0.815132 0.785124 N\n0.832315 0.663169 0.974430 N\n0.072203 0.777175 0.342097 N\n0.601764 0.671955 0.201394 N\n0.435905 0.681026 0.478276 N\n0.449626 0.754659 0.150766 N\n0.944576 0.678571 0.285249 N\n0.917309 0.440588 0.836311 N\n0.030454 0.470638 0.463471 N\n0.968455 0.286781 0.208529 N\n0.417594 0.610007 0.005469 O\n0.163244 0.294987 0.956172 O\n0.930207 0.295714 0.715842 O\n0.341716 0.170092 0.858437 O\n0.130594 0.347989 0.610745 O\n0.823868 0.260947 0.363371 O\n0.357883 0.191591 0.535534 O\n0.295735 0.309899 0.300628 O\n0.914300 0.310320 0.072950 O\n0.946623 0.005349 0.430244 O\n0.898555 0.966469 0.760765 O\n0.887362 0.961030 0.120508 O\n0.082783 0.963539 0.585921 O\n0.222229 0.920048 0.936742 O\n0.233146 0.978976 0.224665 O\n0.673303 0.978990 0.896987 O\n0.711490 0.017689 0.629882 O\n0.629057 0.028669 0.226921 O\n0.219001 0.054598 0.709428 O\n0.399845 0.030135 0.416627 O\n0.246044 0.996645 0.072236 O\n",
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"density": 5.164744266351072,
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"volume": 944.1830360358077,
"volume_molar": 7.897226591960815,
"formula_full": "Sm12 Al3 Si15 N21 O21",
"formula_reduced": "Sm4AlSi5(NO)7",
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"energy": -566.25640737,
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"updated_at": "2021-11-28T01:35:45.056000Z",
"spacegroup": 1
},
{
"id": "mp-1211102",
"created_at": "2022-09-04T14:46:07.407800Z",
"structure_string": "Nd8 Mg2 Si8 C8 O44\n1.0\n5.987355 0.000000 0.000000\n0.000000 10.422675 0.000000\n0.000000 3.209330 14.293542\nNd Mg Si C O\n8 2 8 8 44\ndirect\n0.906725 0.727348 0.921003 Nd\n0.093275 0.272652 0.078997 Nd\n0.406725 0.272652 0.578997 Nd\n0.593275 0.727348 0.421003 Nd\n0.016516 0.775051 0.649428 Nd\n0.983484 0.224949 0.350572 Nd\n0.516516 0.224949 0.850572 Nd\n0.483484 0.775051 0.149428 Nd\n0.500000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.510689 0.721068 0.783424 Si\n0.489311 0.278932 0.216576 Si\n0.010689 0.278932 0.716576 Si\n0.989311 0.721068 0.283424 Si\n0.015852 0.437532 0.875167 Si\n0.984148 0.562468 0.124833 Si\n0.515852 0.562468 0.624833 Si\n0.484148 0.437532 0.375167 Si\n0.282390 0.928957 0.821881 C\n0.717610 0.071043 0.178119 C\n0.782390 0.071043 0.678119 C\n0.217610 0.928957 0.321881 C\n0.500000 0.000000 0.500000 C\n0.000000 0.000000 0.000000 C\n0.500000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n0.034905 0.349742 0.607059 O\n0.965095 0.650258 0.392941 O\n0.534905 0.650258 0.892941 O\n0.465095 0.349742 0.107059 O\n0.091434 0.932510 0.858289 O\n0.908566 0.067490 0.141711 O\n0.591434 0.067490 0.641711 O\n0.408566 0.932510 0.358289 O\n0.299477 0.832023 0.769685 O\n0.700523 0.167977 0.230315 O\n0.799477 0.167977 0.730315 O\n0.200523 0.832023 0.269685 O\n0.328765 0.597182 0.539648 O\n0.671235 0.402818 0.460352 O\n0.828765 0.402818 0.960352 O\n0.171235 0.597182 0.039648 O\n0.748457 0.789570 0.756141 O\n0.251543 0.210430 0.243859 O\n0.248457 0.210430 0.743859 O\n0.751543 0.789570 0.256141 O\n0.426028 0.896387 0.540012 O\n0.573972 0.103613 0.459988 O\n0.926028 0.103613 0.959988 O\n0.073972 0.896387 0.040012 O\n0.533235 0.407677 0.671881 O\n0.466765 0.592323 0.328119 O\n0.033235 0.592323 0.828119 O\n0.966765 0.407677 0.171881 O\n0.873644 0.900449 0.503411 O\n0.126356 0.099551 0.496589 O\n0.373644 0.099551 0.996589 O\n0.626356 0.900449 0.003411 O\n0.257048 0.371903 0.920382 O\n0.742952 0.628097 0.079618 O\n0.757048 0.628097 0.579618 O\n0.242952 0.371903 0.420382 O\n0.419033 0.642096 0.705183 O\n0.580967 0.357904 0.294817 O\n0.919033 0.357904 0.794817 O\n0.080967 0.642096 0.205183 O\n0.951084 0.004442 0.670722 O\n0.048916 0.995558 0.329278 O\n0.451084 0.995558 0.829278 O\n0.548916 0.004442 0.170722 O\n",
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"density": 4.146404257847314,
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"volume": 891.977843746574,
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"formula_full": "Nd8 Mg2 Si8 C8 O44",
"formula_reduced": "Nd4MgSi4(C2O11)2",
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"updated_at": "2021-11-28T01:37:25.270000Z",
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},
{
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