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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_magnetic&page=14",
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"results": [
{
"id": "mp-1201996",
"created_at": "2022-09-04T14:39:13.216829Z",
"structure_string": "Pu2 N16 O36\n1.0\n6.703073 0.000000 0.000000\n0.000000 8.033314 0.000000\n0.000000 7.730043 12.810494\nPu N O\n2 16 36\ndirect\n0.500000 0.000000 0.500000 Pu\n0.000000 0.000000 0.000000 Pu\n0.734910 0.367763 0.160731 N\n0.765090 0.367763 0.660731 N\n0.265090 0.632237 0.839269 N\n0.234910 0.632237 0.339269 N\n0.239415 0.222455 0.319401 N\n0.260585 0.222455 0.819401 N\n0.760585 0.777545 0.680599 N\n0.739415 0.777545 0.180599 N\n0.748969 0.336388 0.446962 N\n0.751031 0.336388 0.946962 N\n0.251031 0.663612 0.553038 N\n0.248969 0.663612 0.053038 N\n0.775049 0.895287 0.385953 N\n0.724951 0.895287 0.885953 N\n0.224951 0.104713 0.614047 N\n0.275049 0.104713 0.114047 N\n0.220722 0.038464 0.383961 O\n0.279278 0.038464 0.883961 O\n0.779278 0.961536 0.616039 O\n0.720722 0.961536 0.116039 O\n0.119073 0.318487 0.250637 O\n0.380927 0.318487 0.750637 O\n0.880927 0.681513 0.749363 O\n0.619073 0.681513 0.249363 O\n0.397349 0.295912 0.335135 O\n0.102651 0.295912 0.835135 O\n0.602651 0.704088 0.664865 O\n0.897349 0.704088 0.164865 O\n0.862754 0.464527 0.435730 O\n0.637246 0.464527 0.935730 O\n0.137246 0.535473 0.564270 O\n0.362754 0.535473 0.064270 O\n0.584910 0.298527 0.499159 O\n0.915090 0.298527 0.999159 O\n0.415090 0.701473 0.500841 O\n0.084910 0.701473 0.000841 O\n0.781671 0.226956 0.409332 O\n0.718329 0.226956 0.909332 O\n0.218329 0.773044 0.590668 O\n0.281671 0.773044 0.090668 O\n0.793311 0.830333 0.484231 O\n0.706689 0.830333 0.984231 O\n0.206689 0.169667 0.515769 O\n0.293311 0.169667 0.015769 O\n0.892593 0.860091 0.336127 O\n0.607407 0.860091 0.836127 O\n0.107407 0.139909 0.663873 O\n0.392593 0.139909 0.163873 O\n0.619198 0.004047 0.344683 O\n0.880802 0.004047 0.844683 O\n0.380802 0.995953 0.655317 O\n0.119198 0.995953 0.155317 O\n",
"nsites": 54,
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"elements": [
"Pu",
"N",
"O"
],
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"density": 3.1006964598165645,
"density_atomic": 0.07828150933766409,
"volume": 689.8180739856869,
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"formula_full": "Pu2 N16 O36",
"formula_reduced": "Pu(N4O9)2",
"formula_anonymous": "AB8C18",
"energy": -370.58599807,
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"updated_at": "2021-11-28T01:34:33.454000Z",
"spacegroup": 14
},
{
"id": "mp-764374",
"created_at": "2022-09-04T14:39:13.636888Z",
"structure_string": "Li4 Mn8 O2 F16\n1.0\n7.065046 0.000000 0.000000\n1.470076 7.947437 0.000000\n3.479858 2.516956 7.617592\nLi Mn O F\n4 8 2 16\ndirect\n0.238684 0.234745 0.631784 Li\n0.392642 0.733435 0.089814 Li\n0.607358 0.266565 0.910186 Li\n0.761316 0.765255 0.368216 Li\n0.672450 0.405642 0.248653 Mn\n0.209180 0.900526 0.453600 Mn\n0.938361 0.874637 0.918881 Mn\n0.863916 0.596886 0.765605 Mn\n0.136084 0.403114 0.234395 Mn\n0.061639 0.125363 0.081119 Mn\n0.790820 0.099474 0.546400 Mn\n0.327550 0.594358 0.751347 Mn\n0.079676 0.772935 0.717148 O\n0.920324 0.227065 0.282852 O\n0.833739 0.940110 0.148264 F\n0.476741 0.761521 0.480473 F\n0.771315 0.344116 0.003138 F\n0.367316 0.500268 0.269099 F\n0.149779 0.439283 0.701922 F\n0.260315 0.913436 0.199871 F\n0.151903 0.161574 0.481115 F\n0.312844 0.302224 0.010512 F\n0.687156 0.697776 0.989488 F\n0.848097 0.838426 0.518885 F\n0.739685 0.086564 0.800129 F\n0.850221 0.560717 0.298078 F\n0.632684 0.499732 0.730901 F\n0.228685 0.655884 0.996862 F\n0.523259 0.238479 0.519527 F\n0.166261 0.059890 0.851736 F\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.1184264131841295,
"density_atomic": 0.0701393051151727,
"volume": 427.7202340504843,
"volume_molar": 8.585971517840537,
"formula_full": "Li4 Mn8 O2 F16",
"formula_reduced": "Li2Mn4OF8",
"formula_anonymous": "AB2C4D8",
"energy": -205.70245696,
"energy_per_atom": -6.8567485653333335,
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"updated_at": "2021-11-28T01:34:26.829000Z",
"spacegroup": 2
},
{
"id": "mp-1265553",
"created_at": "2022-09-04T14:39:13.225271Z",
"structure_string": "Al16 Fe24 O72\n1.0\n8.556950 0.000000 0.000000\n0.000000 9.281848 0.000000\n0.000000 0.000000 15.160663\nAl Fe O\n16 24 72\ndirect\n0.334760 0.300229 0.780501 Al\n0.335196 0.303125 0.107800 Al\n0.664804 0.803125 0.892200 Al\n0.665240 0.800229 0.219499 Al\n0.834760 0.800229 0.719499 Al\n0.835196 0.803125 0.392200 Al\n0.165240 0.300229 0.280501 Al\n0.164804 0.303125 0.607800 Al\n0.338897 0.994902 0.890889 Al\n0.342711 0.997909 0.563927 Al\n0.661103 0.494902 0.109111 Al\n0.657289 0.497909 0.436073 Al\n0.842711 0.497909 0.936073 Al\n0.838897 0.494902 0.609111 Al\n0.157289 0.997909 0.063927 Al\n0.161103 0.994902 0.390889 Al\n0.489706 0.800562 0.720423 Fe\n0.485788 0.803933 0.054698 Fe\n0.480706 0.803202 0.392003 Fe\n0.514212 0.303933 0.945302 Fe\n0.510294 0.300562 0.279577 Fe\n0.519294 0.303202 0.607997 Fe\n0.989706 0.300562 0.779577 Fe\n0.980706 0.303202 0.107997 Fe\n0.985788 0.303933 0.445302 Fe\n0.019294 0.803202 0.892003 Fe\n0.010294 0.800562 0.220423 Fe\n0.014212 0.803933 0.554698 Fe\n0.347308 0.569529 0.895003 Fe\n0.348080 0.585898 0.226224 Fe\n0.346492 0.572131 0.559469 Fe\n0.651920 0.085898 0.773776 Fe\n0.652692 0.069529 0.104997 Fe\n0.653508 0.072131 0.440531 Fe\n0.846492 0.072131 0.940531 Fe\n0.848080 0.085898 0.273776 Fe\n0.847308 0.069529 0.604997 Fe\n0.151920 0.585898 0.726224 Fe\n0.153508 0.572131 0.059469 Fe\n0.152692 0.569529 0.395003 Fe\n0.326576 0.942656 0.004223 O\n0.335395 0.924771 0.342341 O\n0.353338 0.924040 0.670829 O\n0.664605 0.424771 0.657659 O\n0.673424 0.442656 0.995777 O\n0.646662 0.424040 0.329171 O\n0.853338 0.424040 0.829171 O\n0.835395 0.424771 0.157659 O\n0.826576 0.442656 0.495777 O\n0.164605 0.924771 0.842341 O\n0.146662 0.924040 0.170829 O\n0.173424 0.942656 0.504223 O\n0.336071 0.675150 0.782823 O\n0.324398 0.678368 0.110726 O\n0.329847 0.669308 0.447340 O\n0.675602 0.178368 0.889274 O\n0.663929 0.175150 0.217177 O\n0.670153 0.169308 0.552660 O\n0.836071 0.175150 0.717177 O\n0.829847 0.169308 0.052660 O\n0.824398 0.178368 0.389274 O\n0.170153 0.669308 0.947340 O\n0.163929 0.675150 0.282823 O\n0.175602 0.678368 0.610726 O\n0.351729 0.183935 0.878425 O\n0.334789 0.214279 0.221357 O\n0.336548 0.190357 0.569425 O\n0.665211 0.714279 0.778643 O\n0.648271 0.683935 0.121575 O\n0.663452 0.690357 0.430575 O\n0.836548 0.690357 0.930575 O\n0.834789 0.714279 0.278643 O\n0.851729 0.683935 0.621575 O\n0.165211 0.214279 0.721357 O\n0.163452 0.190357 0.069425 O\n0.148271 0.183935 0.378425 O\n0.494090 0.206439 0.721000 O\n0.494927 0.201870 0.054505 O\n0.501811 0.186165 0.381535 O\n0.505073 0.701870 0.945495 O\n0.505910 0.706439 0.279000 O\n0.498189 0.686165 0.618465 O\n0.994090 0.706439 0.779000 O\n0.001811 0.686165 0.118465 O\n0.994927 0.701870 0.445495 O\n0.998189 0.186165 0.881535 O\n0.005910 0.206439 0.221000 O\n0.005073 0.201870 0.554505 O\n0.340469 0.433299 0.002326 O\n0.318355 0.435021 0.318193 O\n0.320759 0.428135 0.655962 O\n0.681645 0.935021 0.681807 O\n0.659531 0.933299 0.997674 O\n0.679241 0.928135 0.344038 O\n0.820759 0.928135 0.844038 O\n0.818355 0.935021 0.181807 O\n0.840469 0.933299 0.497674 O\n0.181645 0.435021 0.818193 O\n0.179241 0.428135 0.155962 O\n0.159531 0.433299 0.502326 O\n0.998578 0.443242 0.010117 O\n0.022424 0.424226 0.343071 O\n0.008844 0.428684 0.667571 O\n0.508844 0.928684 0.832429 O\n0.522424 0.924226 0.156929 O\n0.498578 0.943242 0.489883 O\n0.977576 0.924226 0.656929 O\n0.001422 0.943242 0.989883 O\n0.991156 0.928684 0.332429 O\n0.477576 0.424226 0.843071 O\n0.491156 0.428684 0.167571 O\n0.501422 0.443242 0.510117 O\n",
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"elements": [
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],
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"density": 4.032237683433074,
"density_atomic": 0.09301358468399602,
"volume": 1204.1251864500045,
"volume_molar": 6.474474433449261,
"formula_full": "Al16 Fe24 O72",
"formula_reduced": "Al2(FeO3)3",
"formula_anonymous": "A2B3C9",
"energy": -837.9702724900001,
"energy_per_atom": -7.481877432946429,
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"updated_at": "2021-11-28T01:34:37.402000Z",
"spacegroup": 33
},
{
"id": "mp-865523",
"created_at": "2022-09-04T14:39:13.689314Z",
"structure_string": "Ti1 Mn1 Rh2\n1.0\n0.000000 3.080555 3.080555\n3.080555 0.000000 3.080555\n3.080555 3.080555 0.000000\nTi Mn Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Mn\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n",
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],
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"volume": 58.467819404643905,
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"formula_full": "Ti1 Mn1 Rh2",
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"updated_at": "2021-11-28T01:34:42.128000Z",
"spacegroup": 225
},
{
"id": "mp-1029537",
"created_at": "2022-09-04T14:39:13.402973Z",
"structure_string": "Ba6 Ru2 N6\n1.0\n8.265864 0.000215 0.000000\n-4.132745 7.157673 0.000000\n0.000000 0.000000 5.659966\nBa Ru N\n6 2 6\ndirect\n0.907048 0.636856 0.250000 Ba\n0.729901 0.092997 0.250000 Ba\n0.363030 0.270158 0.250000 Ba\n0.092952 0.363144 0.750000 Ba\n0.270099 0.907003 0.750000 Ba\n0.636970 0.729842 0.750000 Ba\n0.666749 0.333453 0.750000 Ru\n0.333251 0.666547 0.250000 Ru\n0.880785 0.567831 0.750000 N\n0.687095 0.119134 0.750000 N\n0.432125 0.312973 0.750000 N\n0.119215 0.432169 0.250000 N\n0.312905 0.880866 0.250000 N\n0.567875 0.687027 0.250000 N\n",
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"formula_full": "Ba6 Ru2 N6",
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{
"id": "mp-1208769",
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"structure_string": "Sr4 Mn4 P8 O28\n1.0\n8.524768 0.000000 0.000000\n0.000000 5.450372 0.000000\n0.000000 5.424681 12.910115\nSr Mn P O\n4 4 8 28\ndirect\n0.329899 0.436614 0.776008 Sr\n0.670101 0.563386 0.223992 Sr\n0.829899 0.563386 0.723992 Sr\n0.170101 0.436614 0.276008 Sr\n0.645674 0.926594 0.896002 Mn\n0.354326 0.073406 0.103998 Mn\n0.145674 0.073406 0.603998 Mn\n0.854326 0.926594 0.396002 Mn\n0.296118 0.704905 0.979823 P\n0.703882 0.295095 0.020177 P\n0.796118 0.295095 0.520177 P\n0.203882 0.704905 0.479823 P\n0.033462 0.909132 0.838135 P\n0.966538 0.090868 0.161865 P\n0.533462 0.090868 0.661865 P\n0.466538 0.909132 0.338135 P\n0.117956 0.789850 0.768245 O\n0.882044 0.210150 0.231755 O\n0.617956 0.210150 0.731755 O\n0.382044 0.789850 0.268245 O\n0.362316 0.182044 0.649066 O\n0.637684 0.817956 0.350934 O\n0.862316 0.817956 0.850934 O\n0.137684 0.182044 0.149066 O\n0.332693 0.441712 0.968357 O\n0.667307 0.558288 0.031643 O\n0.832693 0.558288 0.531643 O\n0.167307 0.441712 0.468357 O\n0.185907 0.695147 0.590523 O\n0.814093 0.304853 0.409477 O\n0.685907 0.304853 0.909477 O\n0.314093 0.695147 0.090523 O\n0.111789 0.775081 0.952785 O\n0.888211 0.224919 0.047215 O\n0.611789 0.224919 0.547215 O\n0.388211 0.775081 0.452785 O\n0.053120 0.210441 0.799638 O\n0.946880 0.789559 0.200362 O\n0.553120 0.789559 0.700362 O\n0.446880 0.210441 0.299638 O\n0.391254 0.937884 0.902056 O\n0.608746 0.062116 0.097944 O\n0.891254 0.062116 0.597944 O\n0.108746 0.937884 0.402056 O\n",
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"formula_full": "Sr4 Mn4 P8 O28",
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{
"id": "mp-1212564",
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