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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=spacegroup&page=116",
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"results": [
{
"id": "mp-1075013",
"created_at": "2022-09-04T14:40:10.116906Z",
"structure_string": "Mg6 Si8\n1.0\n5.341191 0.000000 0.000000\n-1.182624 6.317713 0.000000\n-0.383838 -1.434734 8.181638\nMg Si\n6 8\ndirect\n0.113035 0.858053 0.470289 Mg\n0.405300 0.582136 0.780489 Mg\n0.908352 0.318070 0.812414 Mg\n0.479898 0.280254 0.063595 Mg\n0.556817 0.561996 0.408039 Mg\n0.647590 0.090492 0.400131 Mg\n0.016800 0.449382 0.510466 Si\n0.418243 0.140334 0.733184 Si\n0.538489 0.733738 0.125194 Si\n0.095562 0.695120 0.039893 Si\n0.075263 0.922182 0.837658 Si\n0.880006 0.036048 0.085780 Si\n0.694034 0.885963 0.663312 Si\n0.177147 0.192854 0.316286 Si\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.2285144708138445,
"density_atomic": 0.05070955204663245,
"volume": 276.08210751153183,
"volume_molar": 11.87575223394213,
"formula_full": "Mg6 Si8",
"formula_reduced": "Mg3Si4",
"formula_anonymous": "A3B4",
"energy": -50.85240167,
"energy_per_atom": -3.632314405,
"energy_above_hull": null,
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"energy_uncorrected": -51.42040167,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 8.7e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:47.923000Z",
"spacegroup": 1
},
{
"id": "mp-1175256",
"created_at": "2022-09-04T14:40:10.150260Z",
"structure_string": "Li7 Mn4 Co1 O12\n1.0\n2.974031 0.000000 0.000000\n-1.193092 4.946459 0.000000\n-0.954296 -1.906965 14.889692\nLi Mn Co O\n7 4 1 12\ndirect\n0.365441 0.594495 0.094355 Li\n0.967765 0.740519 0.239124 Li\n0.680563 0.924612 0.418089 Li\n0.330444 0.085741 0.581292 Li\n0.002114 0.250199 0.750209 Li\n0.653843 0.404502 0.916842 Li\n0.667677 0.168217 0.167861 Li\n0.011380 0.001483 0.006936 Mn\n0.325495 0.333603 0.328697 Mn\n0.662760 0.664138 0.664282 Mn\n0.346063 0.838847 0.833580 Mn\n0.980955 0.492535 0.498307 Co\n0.621517 0.249696 0.036824 O\n0.346174 0.463606 0.220638 O\n0.956700 0.587506 0.377418 O\n0.680103 0.770188 0.541584 O\n0.365148 0.947101 0.710844 O\n0.034705 0.113387 0.880033 O\n0.988663 0.871833 0.115010 O\n0.714524 0.084621 0.298919 O\n0.305900 0.228489 0.455081 O\n0.969011 0.385335 0.618180 O\n0.643425 0.554850 0.787417 O\n0.379632 0.744497 0.958479 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 3.936521933949453,
"density_atomic": 0.10956847641136766,
"volume": 219.04110366464872,
"volume_molar": 5.496234827059443,
"formula_full": "Li7 Mn4 Co1 O12",
"formula_reduced": "Li7Mn4CoO12",
"formula_anonymous": "AB4C7D12",
"energy": -165.51583271,
"energy_per_atom": -6.8964930295833335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -148.96183271,
"band_gap": 0.7477,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.0000049,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.621000Z",
"spacegroup": 1
},
{
"id": "mp-1342249",
"created_at": "2022-09-04T14:40:10.189138Z",
"structure_string": "Mn3 Cr3 W2 O16\n1.0\n-5.950628 0.000000 0.000000\n2.975515 5.166195 0.000000\n-0.018891 -0.062187 -9.224336\nMn Cr W O\n3 3 2 16\ndirect\n0.174098 0.164600 0.787097 Mn\n0.339937 0.831333 0.285605 Mn\n0.837012 0.330416 0.292369 Mn\n0.169656 0.664194 0.790040 Cr\n0.664571 0.166729 0.787064 Cr\n0.831357 0.831813 0.287474 Cr\n0.334017 0.338586 0.509932 W\n0.673994 0.663303 0.007640 W\n0.175221 0.652715 0.401965 O\n0.476828 0.474699 0.655849 O\n0.329025 0.328542 0.891334 O\n0.007406 0.001591 0.692594 O\n0.004515 0.004528 0.194863 O\n0.651147 0.163396 0.409470 O\n0.046504 0.467942 0.660717 O\n0.472185 0.044031 0.660505 O\n0.821004 0.832297 0.903660 O\n0.184704 0.164961 0.405876 O\n0.513404 0.958138 0.162858 O\n0.951000 0.535376 0.148797 O\n0.662244 0.661043 0.388459 O\n0.349241 0.832286 0.901723 O\n0.504592 0.540826 0.154782 O\n0.826139 0.346857 0.903609 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Mn",
"Cr",
"W",
"O"
],
"chemical_system": "Cr-Mn-O-W",
"density": 5.530569554750338,
"density_atomic": 0.08463354485748494,
"volume": 283.5755023662755,
"volume_molar": 7.115548297239267,
"formula_full": "Mn3 Cr3 W2 O16",
"formula_reduced": "Mn3Cr3(WO8)2",
"formula_anonymous": "A2B3C3D16",
"energy": -129.82264143999998,
"energy_per_atom": -5.409276726666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -98.95364143999998,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 19.2267702,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.942000Z",
"spacegroup": 1
},
{
"id": "mp-39207",
"created_at": "2022-09-04T14:40:10.232184Z",
"structure_string": "Ca3 La5 Mn7 Ni1 O24\n1.0\n5.495316 0.000000 0.000000\n-0.000634 7.784299 0.000000\n-0.016788 -0.002791 11.058740\nCa La Mn Ni O\n3 5 7 1 24\ndirect\n0.486964 0.751655 0.270171 Ca\n0.989115 0.250970 0.482585 Ca\n0.515876 0.248756 0.727626 Ca\n0.007331 0.753887 0.018871 La\n0.505202 0.247687 0.237860 La\n0.003044 0.749200 0.510818 La\n0.493602 0.751835 0.765245 La\n0.995408 0.246112 0.983398 La\n0.999495 0.502792 0.252437 Mn\n0.498774 0.495361 0.500176 Mn\n0.000437 0.493312 0.747359 Mn\n0.001557 0.998998 0.252315 Mn\n0.499793 0.003662 0.500423 Mn\n0.998522 0.004785 0.747628 Mn\n0.501191 0.500274 0.000514 Mn\n0.500295 0.000635 0.999947 Ni\n0.431737 0.258382 0.014234 O\n0.789563 0.036323 0.113611 O\n0.784865 0.462964 0.109235 O\n0.280407 0.544188 0.141535 O\n0.273202 0.960749 0.145573 O\n0.919665 0.751849 0.248673 O\n0.066521 0.249411 0.256303 O\n0.720476 0.038034 0.361655 O\n0.718044 0.463131 0.361621 O\n0.218871 0.537718 0.388529 O\n0.221385 0.961114 0.390367 O\n0.564607 0.751533 0.498096 O\n0.420316 0.247888 0.503418 O\n0.783668 0.460087 0.608585 O\n0.785837 0.040443 0.606208 O\n0.278418 0.540143 0.639287 O\n0.279434 0.959242 0.638934 O\n0.931934 0.750455 0.740923 O\n0.086055 0.248201 0.758849 O\n0.725658 0.039801 0.853345 O\n0.722270 0.455454 0.857401 O\n0.218700 0.539189 0.891523 O\n0.209906 0.961406 0.886906 O\n0.571855 0.742370 0.987817 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Ca",
"La",
"Mn",
"Ni",
"O"
],
"chemical_system": "Ca-La-Mn-Ni-O",
"density": 5.763763938227478,
"density_atomic": 0.08455555874473364,
"volume": 473.06174299855024,
"volume_molar": 7.122111011270535,
"formula_full": "Ca3 La5 Mn7 Ni1 O24",
"formula_reduced": "Ca3La5Mn7NiO24",
"formula_anonymous": "AB3C5D7E24",
"energy": -330.74310433,
"energy_per_atom": -8.26857760825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -300.03810433,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 25.9994836,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:50.341000Z",
"spacegroup": 1
},
{
"id": "mp-776163",
"created_at": "2022-09-04T14:40:10.279398Z",
"structure_string": "Li8 Nb1 Fe7 P12 O48\n1.0\n8.691510 0.000000 0.000000\n-0.016071 8.811851 0.000000\n-0.021443 -0.028650 12.238118\nLi Nb Fe P O\n8 1 7 12 48\ndirect\n0.217222 0.722852 0.181615 Li\n0.218085 0.778002 0.818776 Li\n0.282696 0.222467 0.317883 Li\n0.282186 0.277063 0.682716 Li\n0.716532 0.724951 0.316401 Li\n0.717371 0.784742 0.682471 Li\n0.783992 0.221930 0.181405 Li\n0.785325 0.275148 0.824504 Li\n0.753078 0.461539 0.613123 Nb\n0.248411 0.960222 0.612882 Fe\n0.248637 0.541741 0.386442 Fe\n0.251044 0.041025 0.112840 Fe\n0.251542 0.458727 0.887854 Fe\n0.748871 0.541356 0.112394 Fe\n0.748129 0.960054 0.889099 Fe\n0.750811 0.038175 0.386631 Fe\n0.044308 0.245755 0.496645 P\n0.461291 0.749763 0.000347 P\n0.539165 0.250309 0.000734 P\n0.963338 0.753490 0.497577 P\n0.105192 0.392684 0.146945 P\n0.105754 0.106779 0.853148 P\n0.389905 0.606256 0.646721 P\n0.394073 0.893229 0.353474 P\n0.602912 0.102862 0.646082 P\n0.603035 0.391899 0.349232 P\n0.897132 0.609625 0.854726 P\n0.894914 0.892590 0.147051 P\n0.055993 0.640718 0.430303 O\n0.054966 0.857647 0.572042 O\n0.073236 0.895825 0.155882 O\n0.073371 0.604922 0.843149 O\n0.145592 0.164318 0.581158 O\n0.147726 0.338376 0.420004 O\n0.154685 0.434197 0.030545 O\n0.155572 0.066269 0.969518 O\n0.161936 0.232573 0.179401 O\n0.161581 0.267718 0.820681 O\n0.173757 0.514308 0.225353 O\n0.174051 0.986086 0.774418 O\n0.325929 0.013709 0.274285 O\n0.325773 0.485293 0.725432 O\n0.340177 0.767494 0.680425 O\n0.337049 0.732648 0.320188 O\n0.346571 0.566921 0.529237 O\n0.344019 0.934733 0.469712 O\n0.352592 0.837440 0.079261 O\n0.352911 0.661912 0.921079 O\n0.426894 0.107284 0.657135 O\n0.426815 0.394241 0.345122 O\n0.443244 0.142741 0.071061 O\n0.443904 0.357429 0.929294 O\n0.556709 0.642995 0.071578 O\n0.556770 0.856946 0.929207 O\n0.572666 0.600760 0.655449 O\n0.572275 0.895892 0.343939 O\n0.646906 0.338389 0.080314 O\n0.647086 0.162863 0.921126 O\n0.655118 0.067896 0.530105 O\n0.656884 0.429899 0.471264 O\n0.663595 0.233098 0.320420 O\n0.663606 0.268472 0.677889 O\n0.675525 0.515444 0.277261 O\n0.675125 0.988637 0.726287 O\n0.826156 0.013311 0.225788 O\n0.827809 0.486394 0.772274 O\n0.838244 0.732035 0.179217 O\n0.836173 0.766421 0.819199 O\n0.842988 0.563909 0.968150 O\n0.844965 0.933149 0.030658 O\n0.852338 0.659569 0.577992 O\n0.849759 0.836173 0.421475 O\n0.927078 0.104124 0.844554 O\n0.926773 0.395705 0.155599 O\n0.942809 0.140900 0.429350 O\n0.939347 0.356986 0.566505 O\n",
"nsites": 76,
"nelements": 5,
"elements": [
"Li",
"Nb",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-Li-Nb-O-P",
"density": 2.974570445647255,
"density_atomic": 0.0810842635764281,
"volume": 937.2965437167004,
"volume_molar": 7.427015421215084,
"formula_full": "Li8 Nb1 Fe7 P12 O48",
"formula_reduced": "Li8NbFe7(PO4)12",
"formula_anonymous": "AB7C8D12E48",
"energy": -577.3166356,
"energy_per_atom": -7.596271521052632,
"energy_above_hull": null,
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"energy_uncorrected": -528.5486356,
"band_gap": 0.0,
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"total_magnetization": 37.315716,
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"updated_at": "2021-11-28T01:34:54.329000Z",
"spacegroup": 1
},
{
"id": "mp-1173827",
"created_at": "2022-09-04T14:40:10.606567Z",
"structure_string": "Na6 Cd6 Fe6 P12 O48\n1.0\n6.211366 -0.382223 -2.154390\n-2.387889 8.654607 -0.320700\n0.905917 0.313215 17.760020\nNa Cd Fe P O\n6 6 6 12 48\ndirect\n0.999278 0.498684 0.750849 Na\n0.004795 0.500501 0.246950 Na\n0.498412 0.500046 0.752826 Na\n0.763978 0.013721 0.993278 Na\n0.750473 0.013241 0.492831 Na\n0.743523 0.734083 0.132219 Na\n0.253312 0.262675 0.870806 Cd\n0.260199 0.260924 0.371381 Cd\n0.147520 0.383638 0.038105 Cd\n0.744469 0.729478 0.632694 Cd\n0.508619 0.498642 0.246209 Cd\n0.869704 0.635360 0.459966 Cd\n0.363310 0.931638 0.809536 Fe\n0.135542 0.384426 0.534911 Fe\n0.353179 0.930726 0.308067 Fe\n0.868834 0.623326 0.968258 Fe\n0.628401 0.066748 0.688349 Fe\n0.636821 0.064377 0.185944 Fe\n0.372253 0.655333 0.927981 P\n0.252936 0.721667 0.643960 P\n0.131450 0.140259 0.675232 P\n0.370263 0.651223 0.430484 P\n0.247501 0.732923 0.141434 P\n0.135620 0.131941 0.175989 P\n0.863387 0.859378 0.823697 P\n0.745541 0.277405 0.856138 P\n0.631174 0.343491 0.570344 P\n0.859703 0.873013 0.327330 P\n0.750756 0.269205 0.356636 P\n0.633118 0.345998 0.069494 P\n0.096969 0.977468 0.828090 O\n0.181802 0.616178 0.967485 O\n0.042523 0.745922 0.589079 O\n0.248824 0.740819 0.730900 O\n0.406514 0.824083 0.902391 O\n0.093723 0.987638 0.327392 O\n0.186856 0.280671 0.737277 O\n0.312494 0.531222 0.856845 O\n0.118734 0.195950 0.592534 O\n0.182902 0.579287 0.469342 O\n0.266028 0.552576 0.628614 O\n0.034867 0.737289 0.078088 O\n0.596340 0.660543 0.989804 O\n0.467176 0.841491 0.633362 O\n0.213496 0.755378 0.224383 O\n0.311649 0.052855 0.700806 O\n0.360503 0.810030 0.400158 O\n0.685117 0.948223 0.795756 O\n0.198472 0.286293 0.233689 O\n0.339135 0.531396 0.359763 O\n0.531160 0.155242 0.866755 O\n0.405097 0.342312 0.508911 O\n0.117926 0.160624 0.090922 O\n0.282982 0.569167 0.141092 O\n0.737691 0.446230 0.872339 O\n0.866256 0.809029 0.906208 O\n0.593842 0.683674 0.496864 O\n0.456945 0.852800 0.130235 O\n0.685546 0.463841 0.642155 O\n0.807925 0.714849 0.763705 O\n0.328216 0.058474 0.209083 O\n0.606331 0.175366 0.594219 O\n0.668133 0.944865 0.289900 O\n0.749233 0.257023 0.769103 O\n0.544920 0.146270 0.372098 O\n0.410284 0.320208 0.003970 O\n0.948891 0.244421 0.912414 O\n0.714733 0.431365 0.361456 O\n0.818280 0.386565 0.529142 O\n0.865701 0.859120 0.413320 O\n0.661595 0.456438 0.142882 O\n0.813599 0.715535 0.277645 O\n0.896973 0.018759 0.667469 O\n0.650256 0.184095 0.094679 O\n0.778182 0.245642 0.273716 O\n0.963918 0.258960 0.420484 O\n0.819421 0.421180 0.030686 O\n0.907767 0.016561 0.176895 O\n",
"nsites": 78,
"nelements": 5,
"elements": [
"Na",
"Cd",
"Fe",
"P",
"O"
],
"chemical_system": "Cd-Fe-Na-O-P",
"density": 3.965400677048647,
"density_atomic": 0.08144070956781731,
"volume": 957.7519696712347,
"volume_molar": 7.394509198112086,
"formula_full": "Na6 Cd6 Fe6 P12 O48",
"formula_reduced": "NaCdFe(PO4)2",
"formula_anonymous": "ABCD2E8",
"energy": -551.82925488,
"energy_per_atom": -7.074734036923077,
"energy_above_hull": null,
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"energy_uncorrected": -505.31725488,
"band_gap": 1.8944,
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"updated_at": "2021-11-28T01:34:49.565000Z",
"spacegroup": 1
},
{
"id": "mp-863398",
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{
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{
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{
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]
}