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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_stable&page=10171",
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"results": [
{
"id": "mp-1275808",
"created_at": "2022-09-04T14:40:39.595102Z",
"structure_string": "Li4 Mn6 Sb2 O16\n1.0\n-2.924645 1.870580 4.846680\n6.268300 7.175949 5.225158\n-3.084000 5.339688 -0.001382\nLi Mn Sb O\n4 6 2 16\ndirect\n0.440719 0.697741 0.430779 Li\n0.940501 0.197860 0.930906 Li\n0.059294 0.802152 0.069243 Li\n0.559370 0.302268 0.569140 Li\n0.499416 0.999890 0.500416 Mn\n0.500158 0.000064 0.000044 Mn\n0.500249 0.499965 0.999919 Mn\n0.000355 0.499990 0.999806 Mn\n0.000173 0.500053 0.499896 Mn\n0.999808 0.000039 0.499614 Mn\n0.249966 0.249979 0.250191 Sb\n0.749993 0.749987 0.750106 Sb\n0.369900 0.906743 0.361495 O\n0.870458 0.406751 0.861343 O\n0.130089 0.593297 0.138312 O\n0.629483 0.093241 0.638562 O\n0.607028 0.134245 0.129528 O\n0.107171 0.634334 0.629386 O\n0.149916 0.123577 0.589658 O\n0.650430 0.623540 0.089447 O\n0.150246 0.123654 0.136461 O\n0.650612 0.623619 0.636261 O\n0.349823 0.376363 0.363597 O\n0.849787 0.876454 0.863415 O\n0.350004 0.376418 0.910509 O\n0.849360 0.876359 0.410553 O\n0.892954 0.365773 0.370530 O\n0.392737 0.865644 0.870883 O\n",
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"elements": [
"Li",
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"O"
],
"chemical_system": "Li-Mn-O-Sb",
"density": 4.432997432337752,
"density_atomic": 0.08723181677021727,
"volume": 320.98379968121645,
"volume_molar": 6.9036057977140315,
"formula_full": "Li4 Mn6 Sb2 O16",
"formula_reduced": "Li2Mn3SbO8",
"formula_anonymous": "AB2C3D8",
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"updated_at": "2021-11-28T01:35:05.056000Z",
"spacegroup": 12
},
{
"id": "mp-699478",
"created_at": "2022-09-04T14:40:39.614168Z",
"structure_string": "Fe4 H48 N12 F24\n1.0\n9.135169 0.000000 0.000000\n0.000000 9.140311 0.000000\n0.000000 0.000000 9.149890\nFe H N F\n4 48 12 24\ndirect\n0.251185 0.251455 0.749235 Fe\n0.751185 0.248545 0.250765 Fe\n0.248815 0.748545 0.249235 Fe\n0.748815 0.751455 0.750765 Fe\n0.428648 0.052123 0.929310 H\n0.928648 0.447877 0.070690 H\n0.071352 0.947877 0.429310 H\n0.571352 0.552123 0.570690 H\n0.565901 0.931413 0.934570 H\n0.065901 0.568587 0.065430 H\n0.934099 0.068587 0.434570 H\n0.434099 0.431413 0.565430 H\n0.448290 0.930637 0.073589 H\n0.948290 0.569363 0.926411 H\n0.051710 0.069363 0.573589 H\n0.551710 0.430637 0.426411 H\n0.570569 0.071094 0.053067 H\n0.070569 0.428906 0.946933 H\n0.929431 0.928906 0.553067 H\n0.429431 0.571094 0.446933 H\n0.935719 0.055803 0.926980 H\n0.435719 0.444197 0.073020 H\n0.564281 0.944197 0.426980 H\n0.064281 0.555803 0.573020 H\n0.071784 0.932352 0.944525 H\n0.571784 0.567648 0.055475 H\n0.428216 0.067648 0.444525 H\n0.928216 0.432352 0.555475 H\n0.934744 0.936087 0.063819 H\n0.434744 0.563913 0.936181 H\n0.565256 0.063913 0.563819 H\n0.065256 0.436087 0.436181 H\n0.056551 0.071010 0.066792 H\n0.556551 0.428990 0.933208 H\n0.443449 0.928990 0.566792 H\n0.943449 0.571010 0.433208 H\n0.812064 0.812061 0.319070 H\n0.312064 0.687939 0.680930 H\n0.687936 0.187939 0.819070 H\n0.187936 0.312061 0.180930 H\n0.682725 0.812841 0.187166 H\n0.182725 0.687159 0.812834 H\n0.817275 0.187159 0.687166 H\n0.317275 0.312841 0.312834 H\n0.813792 0.681783 0.188926 H\n0.313792 0.818217 0.811074 H\n0.686208 0.318217 0.688926 H\n0.186208 0.181783 0.311074 H\n0.684800 0.684784 0.315535 H\n0.184800 0.815216 0.684465 H\n0.815200 0.315216 0.815535 H\n0.315200 0.184784 0.184465 H\n0.501715 0.998663 0.998734 N\n0.001715 0.501337 0.001266 N\n0.998285 0.001337 0.498734 N\n0.498285 0.498663 0.501266 N\n0.000523 0.999671 0.999684 N\n0.500523 0.500329 0.000316 N\n0.499477 0.000329 0.499684 N\n0.999477 0.499671 0.500316 N\n0.749459 0.749414 0.250587 N\n0.249459 0.750586 0.749413 N\n0.750541 0.250586 0.750587 N\n0.250541 0.249414 0.249413 N\n0.294142 0.042699 0.784053 F\n0.794142 0.457301 0.215947 F\n0.205858 0.957301 0.284053 F\n0.705858 0.542699 0.715947 F\n0.210619 0.460504 0.724940 F\n0.710619 0.039496 0.275060 F\n0.289381 0.539496 0.224940 F\n0.789381 0.960504 0.775060 F\n0.285010 0.232327 0.538257 F\n0.785010 0.267673 0.461743 F\n0.214990 0.767673 0.038257 F\n0.714990 0.732327 0.961743 F\n0.210305 0.275653 0.959516 F\n0.710305 0.224347 0.040484 F\n0.289695 0.724347 0.459516 F\n0.789695 0.775653 0.540484 F\n0.459700 0.293670 0.776001 F\n0.959700 0.206330 0.223999 F\n0.040300 0.706330 0.276001 F\n0.540300 0.793670 0.723999 F\n0.043924 0.200728 0.714714 F\n0.543924 0.299272 0.285286 F\n0.456076 0.799272 0.214714 F\n0.956076 0.700728 0.785286 F\n",
"nsites": 88,
"nelements": 4,
"elements": [
"Fe",
"H",
"N",
"F"
],
"chemical_system": "F-Fe-H-N",
"density": 1.9470104090075544,
"density_atomic": 0.11518322657639077,
"volume": 764.000129321238,
"volume_molar": 5.228313999353066,
"formula_full": "Fe4 H48 N12 F24",
"formula_reduced": "FeH12(NF2)3",
"formula_anonymous": "AB3C6D12",
"energy": -457.51169054,
"energy_per_atom": -5.198996483409091,
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"updated_at": "2021-11-28T01:35:06.703000Z",
"spacegroup": 19
},
{
"id": "mp-1366160",
"created_at": "2022-09-04T14:40:39.644616Z",
"structure_string": "Ca40 H15 N20\n1.0\n7.181309 0.000000 0.000000\n-3.585366 6.224239 0.000000\n-0.021231 -4.131284 29.346226\nCa H N\n40 15 20\ndirect\n0.312249 0.630353 0.053116 Ca\n0.407542 0.451319 0.142458 Ca\n0.767576 0.634133 0.051974 Ca\n0.312188 0.182226 0.052767 Ca\n0.513899 0.233641 0.252325 Ca\n0.882601 0.417788 0.147249 Ca\n0.798602 0.148708 0.057553 Ca\n0.435090 0.969726 0.146896 Ca\n0.606179 0.051336 0.342464 Ca\n0.965083 0.230805 0.252763 Ca\n0.885383 0.965731 0.148036 Ca\n0.516403 0.782232 0.252763 Ca\n0.713927 0.833729 0.452326 Ca\n0.083520 0.017781 0.347256 Ca\n0.993859 0.748687 0.257550 Ca\n0.634943 0.569222 0.347258 Ca\n0.165054 0.830774 0.452749 Ca\n0.806182 0.651337 0.542458 Ca\n0.086067 0.566271 0.347683 Ca\n0.716474 0.382211 0.452753 Ca\n0.913933 0.433729 0.652317 Ca\n0.283526 0.617789 0.547247 Ca\n0.834946 0.169226 0.547251 Ca\n0.193818 0.348663 0.457542 Ca\n0.006141 0.251313 0.742450 Ca\n0.365057 0.430778 0.652742 Ca\n0.286073 0.166271 0.547674 Ca\n0.916480 0.982219 0.652744 Ca\n0.114617 0.034269 0.851964 Ca\n0.483597 0.217768 0.747237 Ca\n0.393821 0.948664 0.657536 Ca\n0.034917 0.769195 0.747237 Ca\n0.201398 0.851292 0.942447 Ca\n0.564909 0.030274 0.853104 Ca\n0.486101 0.766359 0.747675 Ca\n0.117399 0.582212 0.852751 Ca\n0.687812 0.817774 0.947233 Ca\n0.592458 0.548681 0.857542 Ca\n0.232424 0.365867 0.948026 Ca\n0.687751 0.369647 0.946884 Ca\n0.000000 0.000000 0.000000 H\n0.000000 0.500000 0.000000 H\n0.199915 0.100019 0.200000 H\n0.400005 0.700006 0.399996 H\n0.700003 0.600046 0.200001 H\n0.099148 0.800007 0.099994 H\n0.300008 0.400008 0.299991 H\n0.599995 0.299994 0.600004 H\n0.899998 0.199999 0.399996 H\n0.900852 0.199993 0.900006 H\n0.800085 0.899981 0.800000 H\n0.699992 0.599992 0.700009 H\n0.100002 0.800001 0.600004 H\n0.500000 0.000000 0.500000 H\n0.299997 0.399954 0.799999 H\n0.500000 0.500000 0.000000 N\n0.099869 0.299767 0.100143 N\n0.600241 0.300231 0.099842 N\n0.800007 0.400010 0.299988 N\n0.700151 0.100008 0.199993 N\n0.300018 0.900002 0.299990 N\n0.800000 0.899997 0.299991 N\n0.600316 0.800012 0.099990 N\n0.000000 0.000000 0.500000 N\n0.900005 0.700001 0.399993 N\n0.500000 0.500000 0.500000 N\n0.000000 0.500000 0.500000 N\n0.199993 0.599990 0.700012 N\n0.699982 0.099998 0.700010 N\n0.099995 0.299999 0.600007 N\n0.200000 0.100003 0.700009 N\n0.299849 0.899992 0.800007 N\n0.900131 0.700233 0.899857 N\n0.399759 0.699769 0.900158 N\n0.399684 0.199988 0.900010 N\n",
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"elements": [
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"H",
"N"
],
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"density": 2.4031923696015713,
"density_atomic": 0.05717670591768794,
"volume": 1311.7229962140634,
"volume_molar": 10.532507361773384,
"formula_full": "Ca40 H15 N20",
"formula_reduced": "Ca8H3N4",
"formula_anonymous": "A3B4C8",
"energy": -351.56314438000004,
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"updated_at": "2021-11-28T01:35:05.284000Z",
"spacegroup": 2
},
{
"id": "mp-3792",
"created_at": "2022-09-04T14:40:39.647835Z",
"structure_string": "Y4 Al4 O12\n1.0\n5.226516 0.000000 0.000000\n0.000000 5.387206 0.000000\n0.000000 0.000000 7.453299\nY Al O\n4 4 12\ndirect\n0.012846 0.945822 0.750000 Y\n0.512846 0.554178 0.250000 Y\n0.487154 0.445822 0.750000 Y\n0.987154 0.054178 0.250000 Y\n0.000000 0.500000 0.000000 Al\n0.500000 0.000000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.706009 0.293887 0.454774 O\n0.206009 0.206113 0.545226 O\n0.793991 0.793887 0.045226 O\n0.293991 0.706113 0.954774 O\n0.293991 0.706113 0.545226 O\n0.793991 0.793887 0.454774 O\n0.206009 0.206113 0.954774 O\n0.706009 0.293887 0.045226 O\n0.085779 0.477039 0.250000 O\n0.585779 0.022961 0.750000 O\n0.414221 0.977039 0.250000 O\n0.914221 0.522961 0.750000 O\n",
"nsites": 20,
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"formula_full": "Y4 Al4 O12",
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{
"id": "mp-1761",
"created_at": "2022-09-04T14:40:39.663231Z",
"structure_string": "Lu2 Ir4\n1.0\n0.000000 3.758810 3.758810\n3.758810 0.000000 3.758810\n3.758810 3.758810 0.000000\nLu Ir\n2 4\ndirect\n0.250000 0.250000 0.250000 Lu\n0.000000 0.000000 0.000000 Lu\n0.625000 0.125000 0.625000 Ir\n0.625000 0.625000 0.125000 Ir\n0.125000 0.625000 0.625000 Ir\n0.625000 0.625000 0.625000 Ir\n",
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"formula_full": "Lu2 Ir4",
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"spacegroup": 227
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{
"id": "mp-1208993",
"created_at": "2022-09-04T14:40:40.150649Z",
"structure_string": "Sm6 Zn6 Co12\n1.0\n-2.577285 -4.463989 0.000000\n-2.577285 4.463989 0.000000\n0.000000 0.000000 -16.657834\nSm Zn Co\n6 6 12\ndirect\n0.666667 0.333333 0.456342 Sm\n0.333333 0.666667 0.543658 Sm\n0.333333 0.666667 0.956342 Sm\n0.666667 0.333333 0.043658 Sm\n0.666667 0.333333 0.250000 Sm\n0.333333 0.666667 0.750000 Sm\n0.000000 0.000000 0.750000 Zn\n0.000000 0.000000 0.250000 Zn\n0.666667 0.333333 0.750000 Zn\n0.333333 0.666667 0.250000 Zn\n0.000000 0.000000 0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n0.832380 0.167620 0.872616 Co\n0.167620 0.832380 0.127384 Co\n0.335239 0.167620 0.872616 Co\n0.167620 0.832380 0.372616 Co\n0.664761 0.832380 0.127384 Co\n0.832380 0.167620 0.627384 Co\n0.832380 0.664761 0.872616 Co\n0.664761 0.832380 0.372616 Co\n0.167620 0.335239 0.127384 Co\n0.335239 0.167620 0.627384 Co\n0.167620 0.335239 0.372616 Co\n0.832380 0.664761 0.627384 Co\n",
"nsites": 24,
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"formula_full": "Sm6 Zn6 Co12",
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{
"id": "mp-1247722",
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"structure_string": "Sr4 Ca28 Mn28 Al4 O90\n1.0\n10.869341 -0.001869 -0.101859\n-0.001934 15.187126 0.008099\n-0.099701 0.006147 10.811688\nSr Ca Mn Al O\n4 28 28 4 90\ndirect\n0.002314 0.119452 0.500681 Sr\n0.498677 0.371655 0.990960 Sr\n0.244603 0.376718 0.247991 Sr\n0.257081 0.122980 0.237573 Sr\n0.007120 0.110886 0.004674 Ca\n0.017148 0.629242 0.499085 Ca\n0.019261 0.626847 0.996091 Ca\n0.535000 0.125233 0.495643 Ca\n0.530439 0.123733 0.995170 Ca\n0.524355 0.634107 0.510732 Ca\n0.523878 0.624785 0.979631 Ca\n0.496400 0.371408 0.509050 Ca\n0.480887 0.873272 0.998905 Ca\n0.478985 0.873490 0.508906 Ca\n0.973663 0.383011 0.004597 Ca\n0.961485 0.384381 0.499038 Ca\n0.978721 0.873660 0.006345 Ca\n0.973868 0.872587 0.503031 Ca\n0.234171 0.391119 0.763368 Ca\n0.233157 0.875779 0.245406 Ca\n0.227759 0.872027 0.748180 Ca\n0.738261 0.364627 0.244789 Ca\n0.733473 0.374430 0.749198 Ca\n0.733238 0.874344 0.245347 Ca\n0.728801 0.876065 0.741814 Ca\n0.264435 0.114448 0.758319 Ca\n0.240414 0.634030 0.242277 Ca\n0.268836 0.628476 0.755391 Ca\n0.767295 0.120476 0.255052 Ca\n0.778103 0.122157 0.756020 Ca\n0.777268 0.626761 0.254901 Ca\n0.772099 0.625410 0.755077 Ca\n0.002040 -0.000475 0.250902 Mn\n0.997632 0.995473 0.752778 Mn\n0.000726 0.499010 0.251838 Mn\n0.995398 0.499498 0.751582 Mn\n0.496185 0.000516 0.745205 Mn\n0.512055 0.490600 0.241967 Mn\n0.499108 0.500722 0.746494 Mn\n0.250717 0.000127 -0.000769 Mn\n0.249242 0.501934 0.002412 Mn\n0.237451 0.499242 0.511740 Mn\n0.750579 0.996560 0.995394 Mn\n0.745681 0.998371 0.496584 Mn\n0.753360 0.502483 0.999548 Mn\n0.744240 0.504069 0.500555 Mn\n0.252266 0.240394 0.478433 Mn\n0.249557 0.751367 0.998710 Mn\n0.249874 0.750557 0.498772 Mn\n0.762841 0.246286 0.005630 Mn\n0.749451 0.250544 0.503173 Mn\n0.749054 0.750193 0.998968 Mn\n0.748382 0.750778 0.498536 Mn\n0.004292 0.251211 0.762820 Mn\n0.998404 0.752498 0.250375 Mn\n0.998256 0.750080 0.749526 Mn\n0.501649 0.242828 0.247883 Mn\n0.515328 0.242618 0.751689 Mn\n0.497149 0.760063 0.254032 Mn\n0.499271 0.752025 0.751079 Mn\n0.515656 0.998984 0.228702 Al\n0.227378 0.992969 0.516023 Al\n0.275178 0.247013 0.975182 Al\n0.983255 0.250888 0.270220 Al\n0.106472 0.769900 0.106073 O\n0.104772 0.771195 0.604561 O\n0.616365 0.264870 0.116601 O\n0.606218 0.262738 0.603808 O\n0.601581 0.766099 0.105608 O\n0.603119 0.768223 0.604378 O\n0.403856 0.223019 0.393662 O\n0.408851 0.228165 0.886661 O\n0.389893 0.717559 0.388437 O\n0.394310 0.732354 0.895814 O\n0.886082 0.240433 0.398987 O\n0.908650 0.232186 0.911414 O\n0.891608 0.730761 0.392833 O\n0.893438 0.728782 0.894524 O\n0.131895 0.236861 0.348787 O\n0.174059 0.247029 0.816985 O\n0.139740 0.732049 0.359214 O\n0.145013 0.732674 0.852448 O\n0.647345 0.227474 0.355473 O\n0.661252 0.229578 0.861527 O\n0.640305 0.728322 0.353937 O\n0.643824 0.728113 0.854735 O\n0.359873 0.260336 0.134718 O\n0.352454 0.761276 0.147417 O\n0.356039 0.770287 0.644076 O\n0.876929 0.272340 0.142698 O\n0.868051 0.274464 0.640140 O\n0.854210 0.770712 0.145367 O\n0.854909 0.772846 0.642993 O\n0.361172 0.508054 0.161066 O\n0.357413 0.485228 0.639688 O\n0.359444 0.984939 0.142450 O\n0.355739 0.979076 0.633550 O\n0.852714 0.480698 0.150564 O\n0.848782 0.479502 0.646714 O\n0.860862 0.975606 0.139357 O\n0.854678 0.980427 0.643414 O\n0.146446 0.014502 0.364966 O\n0.143038 0.012718 0.855413 O\n0.154730 0.515609 0.356882 O\n0.147279 0.518773 0.853365 O\n0.633418 0.023594 0.359537 O\n0.641908 0.024734 0.852706 O\n0.623708 0.532905 0.359587 O\n0.645095 0.516670 0.851492 O\n0.392633 0.022589 0.892923 O\n0.392595 0.512566 0.895197 O\n0.884952 0.014489 0.384183 O\n0.890839 0.017116 0.890898 O\n0.893496 0.519232 0.396282 O\n0.896761 0.519276 0.899619 O\n0.104859 0.483530 0.107212 O\n0.094158 0.475694 0.612262 O\n0.109248 0.982617 0.107866 O\n0.098865 0.975532 0.613556 O\n0.609866 0.491875 0.100977 O\n0.599022 0.487969 0.599773 O\n0.613633 0.976689 0.099976 O\n0.602942 0.981264 0.602479 O\n0.011963 0.374782 0.283099 O\n0.010536 0.376037 0.792727 O\n0.011321 0.875111 0.289314 O\n0.006752 0.873159 0.793401 O\n0.494055 0.372923 0.293550 O\n0.497316 0.370763 0.761442 O\n0.493951 0.889967 0.294537 O\n0.511022 0.876374 0.787522 O\n0.493015 0.118754 0.215270 O\n0.480263 0.124970 0.701119 O\n0.487241 0.626464 0.719939 O\n0.992742 0.128006 0.219176 O\n0.999156 0.126322 0.724821 O\n0.998143 0.625785 0.213944 O\n0.988213 0.625088 0.711545 O\n0.220623 0.136954 0.015585 O\n0.241422 0.122229 0.535776 O\n0.235802 0.626146 0.030178 O\n0.238324 0.624916 0.539659 O\n0.750637 0.121491 0.041704 O\n0.751794 0.125395 0.539926 O\n0.740673 0.626687 0.039000 O\n0.743083 0.627290 0.540248 O\n0.268990 0.362959 0.499508 O\n0.248130 0.369041 0.985464 O\n0.262945 0.877348 0.461230 O\n0.264275 0.875883 0.963213 O\n0.741781 0.378775 0.461047 O\n0.754821 0.376198 0.965975 O\n0.753296 0.874176 0.459152 O\n0.758673 0.873627 0.955761 O\n",
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{
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{
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{
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]
}