HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-elements&page=1748",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-elements&page=1746",
"results": [
{
"id": "mp-1218740",
"created_at": "2022-09-04T14:39:18.762947Z",
"structure_string": "Sr4 Nb2 Co2 O12\n1.0\n4.043225 -0.002812 3.925477\n-0.003133 4.044002 3.925768\n-4.049534 -4.049426 7.859800\nSr Nb Co O\n4 2 2 12\ndirect\n0.999871 0.999900 0.000453 Sr\n0.500223 0.500216 0.499468 Sr\n0.249781 0.249788 0.250535 Sr\n0.750133 0.750103 0.749551 Sr\n0.624983 0.624984 0.125219 Nb\n0.125028 0.125028 0.624774 Nb\n0.375003 0.375003 0.875001 Co\n0.875003 0.875003 0.375001 Co\n0.753167 0.753190 0.253991 O\n0.253928 0.253847 0.752762 O\n0.496060 0.496141 0.997245 O\n0.996823 0.996800 0.496016 O\n0.501997 0.995575 0.001875 O\n0.001494 0.495017 0.501302 O\n0.748527 0.254958 0.248694 O\n0.248026 0.754402 0.748122 O\n0.995647 0.502000 0.001892 O\n0.495026 0.001487 0.501283 O\n0.254950 0.748533 0.248713 O\n0.754329 0.248024 0.748105 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Nb",
"Co",
"O"
],
"chemical_system": "Co-Nb-O-Sr",
"density": 5.463599409782907,
"density_atomic": 0.07776987268855436,
"volume": 257.1689949923689,
"volume_molar": 7.743539434758902,
"formula_full": "Sr4 Nb2 Co2 O12",
"formula_reduced": "Sr2NbCoO6",
"formula_anonymous": "ABC2D6",
"energy": -156.16707598000002,
"energy_per_atom": -7.808353799000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -144.64707598,
"band_gap": 1.5007,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 0.0003928,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:45.748000Z",
"spacegroup": 225
},
{
"id": "mp-1218456",
"created_at": "2022-09-04T14:45:59.271012Z",
"structure_string": "Sr4 Nb1 Co1 O8\n1.0\n2.815883 -6.422628 0.000000\n2.815883 6.422628 0.000000\n0.000000 0.000000 5.578250\nSr Nb Co O\n4 1 1 8\ndirect\n0.648903 0.351097 0.000000 Sr\n0.144966 0.855034 0.500000 Sr\n0.855034 0.144966 0.500000 Sr\n0.351097 0.648903 0.000000 Sr\n0.500000 0.500000 0.500000 Nb\n0.000000 0.000000 0.000000 Co\n0.837141 0.162859 0.000000 O\n0.339912 0.660088 0.500000 O\n0.660088 0.339912 0.500000 O\n0.162859 0.837141 0.000000 O\n0.749867 0.749867 0.750758 O\n0.250133 0.250133 0.249242 O\n0.250133 0.250133 0.750758 O\n0.749867 0.749867 0.249242 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Sr",
"Nb",
"Co",
"O"
],
"chemical_system": "Co-Nb-O-Sr",
"density": 5.187417954666809,
"density_atomic": 0.06938613419089003,
"volume": 201.76941925434596,
"volume_molar": 8.679170312950898,
"formula_full": "Sr4 Nb1 Co1 O8",
"formula_reduced": "Sr4NbCoO8",
"formula_anonymous": "ABC4D8",
"energy": -103.96737826,
"energy_per_atom": -7.426241304285715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -96.83337826,
"band_gap": 1.4473000000000005,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0004159,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:15.328000Z",
"spacegroup": 65
},
{
"id": "mp-1276228",
"created_at": "2022-09-04T14:47:37.630599Z",
"structure_string": "Sr8 Nb4 Co4 O24\n1.0\n4.015305 0.000077 4.015193\n-4.012274 3.985804 8.027534\n-4.013113 -7.970126 4.012838\nSr Nb Co O\n8 4 4 24\ndirect\n0.499514 0.998148 0.496819 Sr\n0.251994 0.500227 0.749576 Sr\n0.001319 0.999239 0.003574 Sr\n0.749563 0.502074 0.249766 Sr\n0.877119 0.249849 0.625379 Sr\n0.622639 0.751939 0.878148 Sr\n0.376745 0.247923 0.125351 Sr\n0.125544 0.750759 0.371333 Sr\n0.314074 0.373387 0.438144 Nb\n0.062731 0.875040 0.687516 Nb\n0.812411 0.376653 0.936753 Nb\n0.563668 0.874969 0.187542 Nb\n0.687975 0.624438 0.560831 Co\n0.437331 0.125628 0.814179 Co\n0.188738 0.624273 0.064173 Co\n0.938079 0.125731 0.310762 Co\n0.487259 0.504075 0.498867 O\n0.262428 0.999577 0.749885 O\n0.997366 0.496989 0.999402 O\n0.750360 0.999453 0.251069 O\n0.119064 0.256129 0.373554 O\n0.886360 0.750078 0.625812 O\n0.617350 0.245300 0.874828 O\n0.377134 0.750154 0.123972 O\n0.005025 0.004019 0.498124 O\n0.744676 0.496921 0.750646 O\n0.500845 0.999178 0.000541 O\n0.244381 0.503987 0.245516 O\n0.366713 0.253049 0.624144 O\n0.133896 0.746133 0.877142 O\n0.873050 0.245817 0.129230 O\n0.625526 0.750840 0.374666 O\n0.619710 0.253224 0.375514 O\n0.387276 0.750528 0.625460 O\n0.116284 0.246160 0.876009 O\n0.874761 0.750454 0.124102 O\n0.987689 0.504664 0.499768 O\n0.761198 0.999617 0.749365 O\n0.499813 0.493782 0.001079 O\n0.252392 0.999593 0.251458 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Sr",
"Nb",
"Co",
"O"
],
"chemical_system": "Co-Nb-O-Sr",
"density": 5.469892376078104,
"density_atomic": 0.07785944792108963,
"volume": 513.7462577507602,
"volume_molar": 7.734630697745796,
"formula_full": "Sr8 Nb4 Co4 O24",
"formula_reduced": "Sr2NbCoO6",
"formula_anonymous": "ABC2D6",
"energy": -312.23908277000004,
"energy_per_atom": -7.805977069250001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -289.19908277,
"band_gap": 1.3338,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0399633,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:16.344000Z",
"spacegroup": 5
},
{
"id": "mp-1218496",
"created_at": "2022-09-04T14:41:30.579509Z",
"structure_string": "Sr3 Nb1 Co1 O7\n1.0\n-1.994149 1.994149 10.422698\n1.994149 -1.994149 10.422698\n1.994149 1.994149 -10.422698\nSr Nb Co O\n3 1 1 7\ndirect\n0.692895 0.692895 0.000000 Sr\n0.321234 0.321234 0.000000 Sr\n0.482934 0.482934 0.000000 Sr\n0.094895 0.094895 0.000000 Nb\n0.899988 0.899988 0.000000 Co\n0.904717 0.404717 0.500000 O\n0.404717 0.904717 0.500000 O\n0.098762 0.598762 0.500000 O\n0.598762 0.098762 0.500000 O\n0.002370 0.002370 0.000000 O\n0.804540 0.804540 0.000000 O\n0.194186 0.194186 0.000000 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Sr",
"Nb",
"Co",
"O"
],
"chemical_system": "Co-Nb-O-Sr",
"density": 5.275373903415533,
"density_atomic": 0.07238121857966424,
"volume": 165.78886395498517,
"volume_molar": 8.320032293145092,
"formula_full": "Sr3 Nb1 Co1 O7",
"formula_reduced": "Sr3NbCoO7",
"formula_anonymous": "ABC3D7",
"energy": -90.58598806,
"energy_per_atom": -7.548832338333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -84.13898806,
"band_gap": 0.0544999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9797707,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:21.532000Z",
"spacegroup": 107
},
{
"id": "mp-1305942",
"created_at": "2022-09-04T14:40:27.149550Z",
"structure_string": "Sr12 Nb4 Co4 O28\n1.0\n3.982204 -0.002690 -0.001450\n-0.002765 3.988196 -0.000092\n-0.016264 -0.001146 42.311245\nSr Nb Co O\n12 4 4 28\ndirect\n0.502151 0.499659 0.595035 Sr\n0.998215 0.998787 0.847148 Sr\n0.501050 0.500734 0.095878 Sr\n0.998903 0.001374 0.346022 Sr\n0.995275 0.999104 0.659232 Sr\n0.495843 0.495804 0.910772 Sr\n0.002802 0.997228 0.160007 Sr\n0.495736 0.504855 0.409410 Sr\n0.991743 0.997609 0.741111 Sr\n0.503870 0.503972 0.990859 Sr\n0.998641 0.001671 0.240474 Sr\n0.503422 0.496461 0.489498 Sr\n0.001479 0.999115 0.548292 Nb\n0.497184 0.498852 0.799125 Nb\n0.001557 0.001767 0.047745 Nb\n0.498970 0.501168 0.298360 Nb\n0.482922 0.495676 0.696304 Co\n0.999945 0.000040 0.949393 Co\n0.500104 0.499900 0.198316 Co\n0.000145 0.999788 0.447926 Co\n0.000096 0.000929 0.503236 O\n0.501090 0.499499 0.753510 O\n0.999049 0.999090 0.001826 O\n0.500079 0.499840 0.252635 O\n0.518262 0.504562 0.651377 O\n0.001307 0.001628 0.902597 O\n0.497567 0.502197 0.151084 O\n0.002336 0.996585 0.400994 O\n0.002088 0.001362 0.598381 O\n0.500350 0.499644 0.848367 O\n0.999906 0.999497 0.096623 O\n0.500132 0.500403 0.347490 O\n0.004807 0.500875 0.701849 O\n0.501236 0.000187 0.952108 O\n0.999143 0.499439 0.201623 O\n0.501819 0.999532 0.451755 O\n0.500857 0.001127 0.701602 O\n0.000101 0.501375 0.952091 O\n0.500574 0.000873 0.201604 O\n0.000312 0.498023 0.451729 O\n0.500897 0.000146 0.551404 O\n0.999547 0.500089 0.801399 O\n0.499973 0.998685 0.049793 O\n0.999484 0.500667 0.300744 O\n0.999940 0.500096 0.551377 O\n0.500978 0.999505 0.801406 O\n0.998762 0.499930 0.049769 O\n0.499354 0.000650 0.300713 O\n",
"nsites": 48,
"nelements": 4,
"elements": [
"Sr",
"Nb",
"Co",
"O"
],
"chemical_system": "Co-Nb-O-Sr",
"density": 5.206106589958587,
"density_atomic": 0.07143083048442282,
"volume": 671.978747474699,
"volume_molar": 8.430730427127358,
"formula_full": "Sr12 Nb4 Co4 O28",
"formula_reduced": "Sr3NbCoO7",
"formula_anonymous": "ABC3D7",
"energy": -362.32892908,
"energy_per_atom": -7.548519355833334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -336.54092908,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.4085919,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.888000Z",
"spacegroup": 6
},
{
"id": "mp-1303642",
"created_at": "2022-09-04T14:47:07.597614Z",
"structure_string": "Sr3 Nb1 Co1 O7\n1.0\n3.965870 0.003135 -0.008771\n0.003212 3.998463 0.001825\n1.960990 2.005796 10.711455\nSr Nb Co O\n3 1 1 7\ndirect\n0.310925 0.308753 0.382129 Sr\n0.678843 0.682592 0.635603 Sr\n0.513938 0.521177 0.958873 Sr\n0.900607 0.902180 0.196331 Nb\n0.093397 0.111251 0.782572 Co\n0.600288 0.095850 0.806077 O\n0.096379 0.595970 0.806107 O\n0.395700 0.895673 0.208854 O\n0.895551 0.396204 0.207899 O\n0.991042 0.991494 0.017827 O\n0.216108 0.196183 0.603599 O\n0.807222 0.802671 0.394129 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Sr",
"Nb",
"Co",
"O"
],
"chemical_system": "Co-Nb-O-Sr",
"density": 5.147427868605744,
"density_atomic": 0.0706257240722564,
"volume": 169.90976245033514,
"volume_molar": 8.526837549784007,
"formula_full": "Sr3 Nb1 Co1 O7",
"formula_reduced": "Sr3NbCoO7",
"formula_anonymous": "ABC3D7",
"energy": -90.63943962,
"energy_per_atom": -7.553286635,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -84.19243962,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.8608995,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:53.644000Z",
"spacegroup": 8
},
{
"id": "mp-1179777",
"created_at": "2022-09-04T14:41:01.769963Z",
"structure_string": "Sr12 Nb8 Co4 O36\n1.0\n5.677295 0.000000 0.000000\n0.000000 13.241607 2.349950\n0.000000 3.481838 15.566440\nSr Nb Co O\n12 8 4 36\ndirect\n0.982223 0.062151 0.269093 Sr\n0.480332 0.103119 0.561775 Sr\n0.002605 0.260423 0.405365 Sr\n0.482223 0.437849 0.230907 Sr\n0.017777 0.937849 0.730907 Sr\n0.502605 0.239577 0.094635 Sr\n0.019668 0.603119 0.061775 Sr\n0.519668 0.896881 0.438225 Sr\n0.497395 0.760423 0.905365 Sr\n0.980332 0.396881 0.938225 Sr\n0.997395 0.739577 0.594635 Sr\n0.517777 0.562151 0.769093 Sr\n0.526856 0.676565 0.329909 Nb\n0.026856 0.823435 0.170091 Nb\n0.973144 0.176565 0.829909 Nb\n0.007773 0.663284 0.835478 Nb\n0.507773 0.836716 0.664522 Nb\n0.992227 0.336716 0.164522 Nb\n0.473144 0.323435 0.670091 Nb\n0.492227 0.163284 0.335478 Nb\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.308949 0.925244 0.562249 O\n0.969736 0.557592 0.773546 O\n0.718855 0.262336 0.757709 O\n0.448751 0.277062 0.385232 O\n0.806389 0.238218 0.276288 O\n0.551249 0.722938 0.614768 O\n0.691051 0.074756 0.437751 O\n0.802934 0.903561 0.606627 O\n0.514461 0.292521 0.570453 O\n0.697066 0.403561 0.106627 O\n0.451871 0.473149 0.630096 O\n0.781145 0.762336 0.257709 O\n0.014461 0.207479 0.929547 O\n0.470224 0.602973 0.059099 O\n0.218855 0.237664 0.742291 O\n0.548129 0.526851 0.369904 O\n0.281145 0.737664 0.242291 O\n0.197066 0.096439 0.393373 O\n0.051249 0.777062 0.885232 O\n0.030264 0.442408 0.226454 O\n0.808949 0.574756 0.937751 O\n0.693611 0.738218 0.776288 O\n0.302934 0.596439 0.893373 O\n0.951871 0.026851 0.869904 O\n0.306389 0.261782 0.223712 O\n0.530264 0.057592 0.273546 O\n0.048129 0.973149 0.130096 O\n0.029776 0.102973 0.559099 O\n0.970224 0.897027 0.440901 O\n0.191051 0.425244 0.062249 O\n0.948751 0.222938 0.114768 O\n0.529776 0.397027 0.940901 O\n0.485539 0.707479 0.429547 O\n0.193611 0.761782 0.723712 O\n0.985539 0.792521 0.070453 O\n0.469736 0.942408 0.726454 O\n",
"nsites": 60,
"nelements": 4,
"elements": [
"Sr",
"Nb",
"Co",
"O"
],
"chemical_system": "Co-Nb-O-Sr",
"density": 3.8513230038125017,
"density_atomic": 0.05339132019892152,
"volume": 1123.7781679954035,
"volume_molar": 11.279250517805412,
"formula_full": "Sr12 Nb8 Co4 O36",
"formula_reduced": "Sr3Nb2CoO9",
"formula_anonymous": "AB2C3D9",
"energy": -473.7480307,
"energy_per_atom": -7.895800511666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -442.4640307,
"band_gap": 0.4104000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.329000Z",
"spacegroup": 14
},
{
"id": "mp-1290739",
"created_at": "2022-09-04T14:42:57.708482Z",
"structure_string": "Sr12 Nb4 Co4 O28\n1.0\n-0.000078 -7.953390 -0.000248\n-1.989832 -1.988780 10.737210\n-7.961573 3.976602 -0.000289\nSr Nb Co O\n12 4 4 28\ndirect\n0.231263 0.384272 0.154871 Sr\n0.731575 0.382499 0.153613 Sr\n0.981656 0.382658 0.654833 Sr\n0.480397 0.384166 0.653210 Sr\n0.761422 0.634432 0.841164 Sr\n0.261482 0.634798 0.840459 Sr\n0.513199 0.633101 0.342174 Sr\n0.012102 0.632990 0.342231 Sr\n0.639668 0.960417 0.761118 Sr\n0.139127 0.960965 0.759123 Sr\n0.394376 0.961085 0.259832 Sr\n0.883823 0.960503 0.258910 Sr\n0.926630 0.195783 0.951526 Nb\n0.426161 0.196323 0.950492 Nb\n0.676613 0.195741 0.451222 Nb\n0.176237 0.195564 0.450425 Nb\n0.080429 0.788764 0.054697 Co\n0.828442 0.785332 0.550439 Co\n0.581767 0.784511 0.056787 Co\n0.327898 0.789458 0.550625 Co\n0.995324 0.016913 0.001799 O\n0.494948 0.017440 0.995410 O\n0.742453 0.016989 0.494779 O\n0.242233 0.016658 0.490882 O\n0.155259 0.604924 0.108986 O\n0.646222 0.601148 0.091632 O\n0.903307 0.601602 0.606723 O\n0.393708 0.604968 0.590167 O\n0.853280 0.392200 0.901161 O\n0.352409 0.392082 0.901325 O\n0.604692 0.391538 0.402711 O\n0.102973 0.391940 0.403006 O\n0.955573 0.809081 0.815686 O\n0.437263 0.808742 0.780147 O\n0.698381 0.801196 0.299460 O\n0.196990 0.809533 0.298007 O\n0.811509 0.805233 0.048439 O\n0.333421 0.807002 0.047221 O\n0.584512 0.806392 0.549731 O\n0.060664 0.806793 0.548361 O\n0.046794 0.209846 0.197644 O\n0.547399 0.206264 0.198329 O\n0.798511 0.205027 0.699205 O\n0.297683 0.205674 0.698048 O\n0.172593 0.206266 0.948342 O\n0.672090 0.207781 0.947707 O\n0.923176 0.205769 0.448893 O\n0.422359 0.207632 0.448450 O\n",
"nsites": 48,
"nelements": 4,
"elements": [
"Sr",
"Nb",
"Co",
"O"
],
"chemical_system": "Co-Nb-O-Sr",
"density": 5.145376698130204,
"density_atomic": 0.07059758081241313,
"volume": 679.9099834248171,
"volume_molar": 8.530236717319823,
"formula_full": "Sr12 Nb4 Co4 O28",
"formula_reduced": "Sr3NbCoO7",
"formula_anonymous": "ABC3D7",
"energy": -363.44984611,
"energy_per_atom": -7.5718717939583335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -337.66184611,
"band_gap": 0.2024999999999996,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.8e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:00.420000Z",
"spacegroup": 1
},
{
"id": "mp-1284693",
"created_at": "2022-09-04T14:43:57.012239Z",
"structure_string": "Sr12 Nb4 Co4 O28\n1.0\n-3.978992 3.979636 0.000005\n-3.979256 -3.979549 -0.000049\n0.000461 3.979998 21.480074\nSr Nb Co O\n12 4 4 28\ndirect\n0.654378 0.345446 0.691326 Sr\n0.403637 0.096358 0.192264 Sr\n0.154500 0.845389 0.691314 Sr\n0.904130 0.596119 0.191927 Sr\n0.591566 0.908386 0.816803 Sr\n0.341346 0.658922 0.317269 Sr\n0.091608 0.408509 0.816770 Sr\n0.841282 0.158707 0.317270 Sr\n0.509426 0.990489 0.980831 Sr\n0.259815 0.739886 0.480852 Sr\n0.009713 0.490669 0.980791 Sr\n0.759590 0.240211 0.480856 Sr\n0.701434 0.798362 0.597360 Nb\n0.450840 0.549399 0.098130 Nb\n0.201452 0.298336 0.597315 Nb\n0.950755 0.049312 0.098127 Nb\n0.302759 0.197081 0.394435 Co\n0.053019 0.946894 0.893745 Co\n0.553238 0.446918 0.893775 Co\n0.803015 0.696998 0.394125 Co\n0.745952 0.753594 0.507982 O\n0.495409 0.504612 0.008519 O\n0.246089 0.254493 0.507812 O\n0.995926 0.004170 0.008525 O\n0.599597 0.400169 0.801165 O\n0.349086 0.150637 0.301929 O\n0.099656 0.900037 0.801123 O\n0.849518 0.650748 0.301572 O\n0.652206 0.847896 0.695350 O\n0.401823 0.598067 0.196061 O\n0.152423 0.347554 0.695241 O\n0.902000 0.098289 0.196061 O\n0.311378 0.216093 0.903573 O\n0.061940 0.965020 0.403865 O\n0.784861 0.687557 0.903543 O\n0.534515 0.438347 0.403765 O\n0.811708 0.187502 0.903490 O\n0.562118 0.938137 0.403956 O\n0.284980 0.716089 0.903432 O\n0.034052 0.465331 0.403954 O\n0.948677 0.051273 0.602415 O\n0.698310 0.801860 0.103498 O\n0.448462 0.551658 0.602500 O\n0.197952 0.301977 0.103453 O\n0.448960 0.051576 0.602416 O\n0.198226 0.801946 0.103527 O\n0.948794 0.551218 0.602551 O\n0.697884 0.301756 0.103438 O\n",
"nsites": 48,
"nelements": 4,
"elements": [
"Sr",
"Nb",
"Co",
"O"
],
"chemical_system": "Co-Nb-O-Sr",
"density": 5.1425354442161755,
"density_atomic": 0.07055859714521592,
"volume": 680.2856340980206,
"volume_molar": 8.53494967821695,
"formula_full": "Sr12 Nb4 Co4 O28",
"formula_reduced": "Sr3NbCoO7",
"formula_anonymous": "ABC3D7",
"energy": -363.76333998,
"energy_per_atom": -7.57840291625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -337.97533998,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.1057378,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:13.518000Z",
"spacegroup": 110
},
{
"id": "mp-1287593",
"created_at": "2022-09-04T14:46:15.642184Z",
"structure_string": "Sr6 Nb2 Co2 O14\n1.0\n4.000696 -0.000469 0.003888\n2.010377 -1.982442 10.685426\n0.000890 -7.935284 -0.001217\nSr Nb Co O\n6 2 2 14\ndirect\n0.306322 0.383186 0.152677 Sr\n0.310186 0.381088 0.656384 Sr\n0.684000 0.636588 0.833494 Sr\n0.683767 0.636718 0.348223 Sr\n0.523942 0.960102 0.756181 Sr\n0.523475 0.960277 0.263819 Sr\n0.904540 0.193438 0.951953 Nb\n0.902602 0.196780 0.450653 Nb\n0.117834 0.783984 0.053758 Co\n0.108971 0.786485 0.553357 Co\n0.990072 0.014234 0.996365 O\n0.991732 0.017552 0.495598 O\n0.175675 0.608375 0.097449 O\n0.199818 0.600668 0.600227 O\n0.801027 0.392199 0.904313 O\n0.801139 0.393622 0.399102 O\n0.588157 0.810459 0.047400 O\n0.599399 0.806949 0.548283 O\n0.100692 0.805789 0.791375 O\n0.100659 0.805581 0.305801 O\n0.396766 0.205116 0.949245 O\n0.396171 0.207548 0.447614 O\n0.896866 0.206120 0.198220 O\n0.896188 0.207138 0.698510 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Sr",
"Nb",
"Co",
"O"
],
"chemical_system": "Co-Nb-O-Sr",
"density": 5.157221493656747,
"density_atomic": 0.07076009834192569,
"volume": 339.17420357483996,
"volume_molar": 8.510644983702424,
"formula_full": "Sr6 Nb2 Co2 O14",
"formula_reduced": "Sr3NbCoO7",
"formula_anonymous": "ABC3D7",
"energy": -181.52793237,
"energy_per_atom": -7.56366384875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -168.63393237,
"band_gap": 0.5564,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0095982,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:20.957000Z",
"spacegroup": 1
},
{
"id": "mp-640747",
"created_at": "2022-09-04T14:46:19.958240Z",
"structure_string": "Sr12 Nb8 Co4 O36\n1.0\n5.545934 0.000000 0.000000\n0.000000 11.527482 0.000000\n0.000000 7.611392 14.965502\nSr Nb Co O\n12 8 4 36\ndirect\n0.995660 0.665641 0.290122 Sr\n0.491623 0.322896 0.564262 Sr\n0.990720 0.256204 0.438712 Sr\n0.495660 0.334359 0.209878 Sr\n0.004340 0.334359 0.709878 Sr\n0.490720 0.743796 0.061288 Sr\n0.008377 0.322896 0.064262 Sr\n0.508377 0.677104 0.435738 Sr\n0.509280 0.256204 0.938712 Sr\n0.991623 0.677104 0.935738 Sr\n0.009280 0.743796 0.561288 Sr\n0.504340 0.665641 0.790122 Sr\n0.507465 0.004054 0.326288 Nb\n0.007465 0.995946 0.173712 Nb\n0.992535 0.004054 0.826288 Nb\n0.996904 0.485023 0.837946 Nb\n0.496904 0.514977 0.662054 Nb\n0.003096 0.514977 0.162054 Nb\n0.492535 0.995946 0.673712 Nb\n0.503096 0.485023 0.337946 Nb\n0.000000 0.000000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.255357 0.538042 0.568437 O\n0.949440 0.677775 0.790068 O\n0.736527 0.057490 0.733431 O\n0.444397 0.289075 0.391204 O\n0.792368 0.469891 0.269004 O\n0.555603 0.710925 0.608796 O\n0.744643 0.461958 0.431563 O\n0.754343 0.504913 0.584215 O\n0.705385 0.050741 0.569069 O\n0.745657 0.504913 0.084215 O\n0.271556 0.993344 0.584621 O\n0.763473 0.057490 0.233431 O\n0.205385 0.949259 0.930931 O\n0.460880 0.307982 0.069268 O\n0.236527 0.942510 0.766569 O\n0.728444 0.006656 0.415379 O\n0.263473 0.942510 0.266569 O\n0.245657 0.495087 0.415785 O\n0.055603 0.289075 0.891204 O\n0.050560 0.322225 0.209932 O\n0.755357 0.461958 0.931563 O\n0.707632 0.469891 0.769004 O\n0.254343 0.495087 0.915785 O\n0.771556 0.006656 0.915379 O\n0.292368 0.530109 0.230996 O\n0.550560 0.677775 0.290068 O\n0.228444 0.993344 0.084621 O\n0.039120 0.307982 0.569268 O\n0.960880 0.692018 0.430732 O\n0.244643 0.538042 0.068437 O\n0.944397 0.710925 0.108796 O\n0.539120 0.692018 0.930732 O\n0.294615 0.949259 0.430931 O\n0.207632 0.530109 0.730996 O\n0.794615 0.050741 0.069069 O\n0.449440 0.322225 0.709932 O\n",
"nsites": 60,
"nelements": 4,
"elements": [
"Sr",
"Nb",
"Co",
"O"
],
"chemical_system": "Co-Nb-O-Sr",
"density": 4.5236614544348095,
"density_atomic": 0.0627120231011936,
"volume": 956.7543356587712,
"volume_molar": 9.602848803462345,
"formula_full": "Sr12 Nb8 Co4 O36",
"formula_reduced": "Sr3Nb2CoO9",
"formula_anonymous": "AB2C3D9",
"energy": -462.68059465,
"energy_per_atom": -7.711343244166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -431.39659465,
"band_gap": 0.1984999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.002239,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:26.027000Z",
"spacegroup": 14
},
{
"id": "mp-1518801",
"created_at": "2022-09-04T14:42:55.035969Z",
"structure_string": "Sr8 Nb4 Bi4 O24\n1.0\n8.517326 0.000000 0.000000\n-0.000000 8.517326 0.000000\n0.000000 0.000000 8.517326\nSr Nb Bi O\n8 4 4 24\ndirect\n0.500000 0.500000 0.500000 Sr\n-0.000000 0.000000 -0.000000 Sr\n-0.000000 0.000000 0.500000 Sr\n-0.000000 0.500000 -0.000000 Sr\n0.500000 0.000000 -0.000000 Sr\n0.500000 0.500000 -0.000000 Sr\n0.500000 0.000000 0.500000 Sr\n-0.000000 0.500000 0.500000 Sr\n0.250000 0.250000 0.250000 Nb\n0.250000 0.750000 0.750000 Nb\n0.750000 0.250000 0.750000 Nb\n0.750000 0.750000 0.250000 Nb\n0.750000 0.750000 0.750000 Bi\n0.750000 0.250000 0.250000 Bi\n0.250000 0.750000 0.250000 Bi\n0.250000 0.250000 0.750000 Bi\n0.213012 0.296898 0.480531 O\n0.213012 0.703102 0.519469 O\n0.786988 0.296898 0.519469 O\n0.786988 0.703102 0.480531 O\n0.296898 0.480531 0.213012 O\n0.703102 0.519469 0.213012 O\n0.296898 0.519469 0.786988 O\n0.703102 0.480531 0.786988 O\n0.480531 0.213012 0.296898 O\n0.519469 0.213012 0.703102 O\n0.519469 0.786988 0.296898 O\n0.480531 0.786988 0.703102 O\n0.286988 0.203102 0.019469 O\n0.286988 0.796898 0.980531 O\n0.713012 0.203102 0.980531 O\n0.713012 0.796898 0.019469 O\n0.203102 0.019469 0.286988 O\n0.796898 0.980531 0.286988 O\n0.203102 0.980531 0.713012 O\n0.796898 0.019469 0.713012 O\n0.019469 0.286988 0.203102 O\n0.980531 0.286988 0.796898 O\n0.980531 0.713012 0.203102 O\n0.019469 0.713012 0.796898 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Sr",
"Nb",
"Bi",
"O"
],
"chemical_system": "Bi-Nb-O-Sr",
"density": 6.160943871352399,
"density_atomic": 0.06473664391059032,
"volume": 617.8880705531349,
"volume_molar": 9.302522336989473,
"formula_full": "Sr8 Nb4 Bi4 O24",
"formula_reduced": "Sr2NbBiO6",
"formula_anonymous": "ABC2D6",
"energy": -301.00638355,
"energy_per_atom": -7.52515958875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -284.51838355,
"band_gap": 2.0916,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:55.788000Z",
"spacegroup": 201
}
]
}