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{
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"results": [
{
"id": "mp-1181730",
"created_at": "2022-09-04T14:46:15.956708Z",
"structure_string": "Gd1 Mn4 Cu3 O12\n1.0\n-3.714006 3.714006 3.714006\n3.714006 -3.714006 3.714006\n3.714006 3.714006 -3.714006\nGd Mn Cu O\n1 4 3 12\ndirect\n0.000000 0.000000 0.000000 Gd\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.000000 0.500000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.167074 0.862544 0.695470 O\n0.304530 0.167074 0.471603 O\n0.695470 0.832926 0.528397 O\n0.471603 0.304530 0.167074 O\n0.862544 0.695470 0.167074 O\n0.167074 0.471603 0.304530 O\n0.137456 0.304530 0.832926 O\n0.528397 0.695470 0.832926 O\n0.695470 0.167074 0.862544 O\n0.304530 0.832926 0.137456 O\n0.832926 0.528397 0.695470 O\n0.832926 0.137456 0.304530 O\n",
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{
"id": "mp-1211891",
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"structure_string": "Mn2 V16 O48\n1.0\n0.000000 -8.023470 0.000000\n-11.756118 0.000000 0.207847\n-0.047230 0.000000 -10.694933\nMn V O\n2 16 48\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.539558 0.642414 0.915040 V\n0.460442 0.357586 0.084960 V\n0.039558 0.357586 0.584960 V\n0.960442 0.642414 0.415040 V\n0.970951 0.662350 0.974850 V\n0.029049 0.337650 0.025150 V\n0.470951 0.337650 0.525150 V\n0.529049 0.662350 0.474850 V\n0.724129 0.356487 0.798948 V\n0.275871 0.643513 0.201052 V\n0.224129 0.643513 0.701052 V\n0.775871 0.356487 0.298948 V\n0.839168 0.647481 0.687605 V\n0.160832 0.352519 0.312395 V\n0.339168 0.352519 0.812395 V\n0.660832 0.647481 0.187605 V\n0.287121 0.991170 0.490626 O\n0.712879 0.008830 0.509374 O\n0.787121 0.008830 0.009374 O\n0.212879 0.991170 0.990626 O\n0.538732 0.387692 0.917386 O\n0.461268 0.612308 0.082614 O\n0.038732 0.612308 0.582614 O\n0.961268 0.387692 0.417386 O\n0.519874 0.376822 0.688127 O\n0.480126 0.623178 0.311873 O\n0.019874 0.623178 0.811873 O\n0.980126 0.376822 0.188127 O\n0.879928 0.396275 0.923913 O\n0.120072 0.603725 0.076087 O\n0.379928 0.603725 0.576087 O\n0.620072 0.396275 0.423913 O\n0.240179 0.778677 0.705512 O\n0.759821 0.221323 0.294488 O\n0.740179 0.221323 0.794488 O\n0.259821 0.778677 0.205512 O\n0.522051 0.994231 0.659354 O\n0.477949 0.005769 0.340646 O\n0.022051 0.005769 0.840646 O\n0.977949 0.994231 0.159354 O\n0.741012 0.623052 0.524853 O\n0.258988 0.376948 0.475147 O\n0.241012 0.376948 0.975147 O\n0.758988 0.623052 0.024853 O\n0.853860 0.405909 0.667593 O\n0.146140 0.594091 0.332407 O\n0.353860 0.594091 0.832407 O\n0.646140 0.405909 0.167593 O\n0.818624 0.782166 0.703315 O\n0.181376 0.217834 0.296685 O\n0.318624 0.217834 0.796685 O\n0.681376 0.782166 0.203315 O\n0.538660 0.777425 0.901614 O\n0.461340 0.222575 0.098386 O\n0.038660 0.222575 0.598386 O\n0.961340 0.777425 0.401614 O\n0.983442 0.799302 0.987286 O\n0.016558 0.200698 0.012714 O\n0.483442 0.200698 0.512714 O\n0.516558 0.799302 0.487286 O\n0.685592 0.587034 0.790045 O\n0.314408 0.412966 0.209955 O\n0.185592 0.412966 0.709955 O\n0.814408 0.587034 0.290045 O\n",
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"elements": [
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],
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"density": 2.7864108595635204,
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"volume": 1008.8768221975549,
"volume_molar": 9.205451867841163,
"formula_full": "Mn2 V16 O48",
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"formula_anonymous": "AB8C24",
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"updated_at": "2021-11-28T01:37:30.205000Z",
"spacegroup": 14
},
{
"id": "mp-1211301",
"created_at": "2022-09-04T14:44:58.234520Z",
"structure_string": "K2 Sm2 C4 O12\n1.0\n4.873874 4.356703 0.000000\n-4.873874 4.356703 0.000000\n0.000000 2.573039 6.628988\nK Sm C O\n2 2 4 12\ndirect\n0.620145 0.379855 0.750000 K\n0.379855 0.620145 0.250000 K\n0.097187 0.902813 0.750000 Sm\n0.902813 0.097187 0.250000 Sm\n0.645504 0.889790 0.757979 C\n0.354496 0.110210 0.242021 C\n0.110210 0.354496 0.742021 C\n0.889790 0.645504 0.257979 C\n0.447080 0.895704 0.779492 O\n0.552920 0.104296 0.220508 O\n0.104296 0.552920 0.720508 O\n0.895704 0.447080 0.279492 O\n0.712091 0.750584 0.881841 O\n0.287909 0.249416 0.118159 O\n0.249416 0.287909 0.618159 O\n0.750584 0.712091 0.381841 O\n0.794562 0.030957 0.610387 O\n0.205438 0.969043 0.389613 O\n0.969043 0.205438 0.889613 O\n0.030957 0.794562 0.110387 O\n",
"nsites": 20,
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"elements": [
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"Sm",
"C",
"O"
],
"chemical_system": "C-K-O-Sm",
"density": 3.650873015419465,
"density_atomic": 0.07104287278836585,
"volume": 281.5201471311454,
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"formula_full": "K2 Sm2 C4 O12",
"formula_reduced": "KSm(CO3)2",
"formula_anonymous": "ABC2D6",
"energy": -159.20663891,
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"updated_at": "2021-11-28T01:36:48.910000Z",
"spacegroup": 15
},
{
"id": "mp-752868",
"created_at": "2022-09-04T14:46:15.372349Z",
"structure_string": "Li3 Fe8 B8 O24\n1.0\n-5.260250 0.000000 0.000000\n-0.118611 -9.112875 0.000000\n2.554548 4.517659 10.141755\nLi Fe B O\n3 8 8 24\ndirect\n0.027254 0.033181 0.408977 Li\n0.495935 0.509073 0.665723 Li\n0.259029 0.246601 0.154112 Li\n0.007453 0.354967 0.375202 Fe\n0.270517 0.939855 0.883014 Fe\n0.482585 0.150731 0.633766 Fe\n0.245970 0.569025 0.126441 Fe\n0.771072 0.436448 0.886319 Fe\n0.517739 0.843140 0.372432 Fe\n0.976543 0.659816 0.627933 Fe\n0.743870 0.049592 0.122582 Fe\n0.028415 0.694300 0.380349 B\n0.255956 0.601577 0.870303 B\n0.472220 0.808783 0.623619 B\n0.242490 0.900374 0.135425 B\n0.513897 0.179957 0.376427 B\n0.771385 0.106054 0.879122 B\n0.976306 0.318705 0.623319 B\n0.730368 0.391558 0.128013 B\n0.032571 0.093486 0.886452 O\n0.125400 0.715006 0.828702 O\n0.128160 0.522518 0.923228 O\n0.105097 0.186753 0.607469 O\n0.073783 0.435706 0.583274 O\n0.244822 0.831895 0.672769 O\n0.253725 0.672255 0.335056 O\n0.501735 0.568190 0.851908 O\n0.643069 0.216042 0.835988 O\n0.430033 0.068203 0.416823 O\n0.349669 0.290895 0.356859 O\n0.632931 0.011976 0.918248 O\n0.343977 0.998514 0.082548 O\n0.616990 0.682669 0.629119 O\n0.542923 0.908943 0.571593 O\n0.411558 0.803157 0.179554 O\n0.475491 0.395117 0.131632 O\n0.750726 0.350542 0.670459 O\n0.765237 0.176499 0.353304 O\n0.953444 0.584186 0.428248 O\n0.883092 0.819555 0.383377 O\n0.850217 0.477791 0.076035 O\n0.892511 0.293790 0.180014 O\n0.993394 0.903387 0.145661 O\n",
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],
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"density_atomic": 0.08844912532856973,
"volume": 486.1551749693864,
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"formula_full": "Li3 Fe8 B8 O24",
"formula_reduced": "Li3Fe8(BO3)8",
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"energy": -342.29457052,
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},
{
"id": "mp-761214",
"created_at": "2022-09-04T14:41:31.286659Z",
"structure_string": "Li3 Fe8 B8 O24\n1.0\n-5.243531 0.000000 0.000000\n-0.104213 -9.119736 0.000000\n2.589174 4.442316 10.192182\nLi Fe B O\n3 8 8 24\ndirect\n0.029321 0.034167 0.406570 Li\n0.490107 0.506722 0.660573 Li\n0.766899 0.747707 0.159268 Li\n0.012423 0.359825 0.370880 Fe\n0.269146 0.938694 0.886993 Fe\n0.493242 0.147600 0.633487 Fe\n0.231145 0.559148 0.124129 Fe\n0.760374 0.434841 0.880770 Fe\n0.517217 0.840858 0.383627 Fe\n0.976622 0.660882 0.630998 Fe\n0.750076 0.066382 0.125791 Fe\n0.032588 0.687717 0.374279 B\n0.255074 0.604711 0.872202 B\n0.472085 0.813786 0.632139 B\n0.241657 0.885039 0.128585 B\n0.520175 0.189253 0.385407 B\n0.767146 0.098111 0.872040 B\n0.979482 0.316418 0.619363 B\n0.728596 0.406588 0.133447 B\n0.025000 0.084120 0.873874 O\n0.106514 0.713255 0.828173 O\n0.141445 0.529855 0.934831 O\n0.126971 0.190044 0.611319 O\n0.069663 0.437279 0.586042 O\n0.243344 0.833335 0.676864 O\n0.251646 0.648489 0.321633 O\n0.495167 0.576440 0.847280 O\n0.629119 0.200943 0.820711 O\n0.440044 0.073900 0.426955 O\n0.362465 0.306461 0.379566 O\n0.635010 0.013925 0.921809 O\n0.356706 0.974187 0.076307 O\n0.615296 0.685672 0.629523 O\n0.550530 0.922467 0.587475 O\n0.400382 0.776225 0.165705 O\n0.469235 0.407200 0.126879 O\n0.738873 0.330242 0.654378 O\n0.766258 0.179553 0.353605 O\n0.954446 0.590056 0.432737 O\n0.897049 0.812482 0.365198 O\n0.849363 0.508981 0.092657 O\n0.880200 0.306220 0.182204 O\n0.991459 0.901036 0.145129 O\n",
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{
"id": "mp-26494",
"created_at": "2022-09-04T14:41:50.809320Z",
"structure_string": "Cr4 P8 O28\n1.0\n5.158789 0.000000 0.000000\n0.000000 8.668847 0.000000\n0.000000 5.795345 11.898674\nCr P O\n4 8 28\ndirect\n0.243409 0.727166 0.034456 Cr\n0.256591 0.727166 0.534456 Cr\n0.756591 0.272834 0.965544 Cr\n0.743409 0.272834 0.465544 Cr\n0.730732 0.687763 0.886117 P\n0.769268 0.687763 0.386117 P\n0.269268 0.312237 0.113883 P\n0.230732 0.312237 0.613883 P\n0.740630 0.838868 0.639819 P\n0.759370 0.838868 0.139819 P\n0.259370 0.161132 0.360181 P\n0.240630 0.161132 0.860181 P\n0.236690 0.975614 0.446487 O\n0.467741 0.764417 0.644851 O\n0.276441 0.161721 0.738915 O\n0.263310 0.975614 0.946487 O\n0.544930 0.729403 0.125410 O\n0.580033 0.726369 0.459123 O\n0.550986 0.298895 0.081635 O\n0.032259 0.764417 0.144851 O\n0.967741 0.235583 0.855149 O\n0.723559 0.838279 0.261085 O\n0.277723 0.480424 0.622574 O\n0.722277 0.519576 0.377426 O\n0.419967 0.273631 0.540877 O\n0.222277 0.480424 0.122574 O\n0.532259 0.235583 0.355149 O\n0.050986 0.701105 0.418365 O\n0.449014 0.701105 0.918365 O\n0.777723 0.519576 0.877426 O\n0.455070 0.270597 0.874590 O\n0.044930 0.270597 0.374590 O\n0.223559 0.161721 0.238915 O\n0.919967 0.726369 0.959123 O\n0.763310 0.024386 0.553513 O\n0.080033 0.273631 0.040877 O\n0.949014 0.298895 0.581635 O\n0.955070 0.729403 0.625410 O\n0.736690 0.024386 0.053513 O\n0.776441 0.838279 0.761085 O\n",
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"formula_full": "Cr4 P8 O28",
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{
"id": "mp-1233539",
"created_at": "2022-09-04T14:48:26.069819Z",
"structure_string": "Ba2 Mg1 Mo4 P8 O28\n1.0\n7.795329 -0.083406 1.315772\n-0.167769 7.724465 1.238683\n-0.028680 -0.121123 10.264407\nBa Mg Mo P O\n2 1 4 8 28\ndirect\n0.020736 0.444264 0.114534 Ba\n0.501973 0.010045 0.490677 Ba\n0.981816 0.657528 0.785478 Mg\n0.002723 0.008546 0.491739 Mo\n0.008504 0.001138 0.991829 Mo\n0.455822 0.528346 0.255017 Mo\n0.544843 0.475491 0.740396 Mo\n0.800563 0.756818 0.292009 P\n0.306236 0.140379 0.191854 P\n0.199102 0.254073 0.698353 P\n0.694238 0.856613 0.806617 P\n0.760487 0.391395 0.442776 P\n0.652864 0.268719 0.035397 P\n0.240764 0.617216 0.553531 P\n0.352944 0.728084 0.963071 P\n0.920666 0.794104 0.157378 O\n0.291163 0.002390 0.312488 O\n0.083816 0.206614 0.832239 O\n0.662313 0.990789 0.694525 O\n0.609809 0.743714 0.283285 O\n0.289606 0.324554 0.230227 O\n0.390819 0.269685 0.702256 O\n0.724544 0.673677 0.763419 O\n0.824333 0.874428 0.393867 O\n0.173960 0.124982 0.099753 O\n0.176383 0.142624 0.591660 O\n0.858461 0.884303 0.865947 O\n0.858786 0.560548 0.345319 O\n0.497690 0.133007 0.107761 O\n0.318809 0.680710 0.115259 O\n0.257095 0.592156 0.409103 O\n0.645769 0.303033 0.887565 O\n0.744612 0.422482 0.585986 O\n0.366985 0.564888 0.895928 O\n0.413682 0.647093 0.598978 O\n0.642548 0.431623 0.104963 O\n0.137783 0.452109 0.650681 O\n0.211675 0.842126 0.914340 O\n0.113428 0.759779 0.593158 O\n0.815554 0.173571 0.065977 O\n0.877493 0.244680 0.406952 O\n0.533512 0.837362 0.927174 O\n0.585091 0.367647 0.398032 O\n",
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