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=8",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=elements&page=6",
"results": [
{
"id": "mp-1120813",
"created_at": "2022-09-04T14:44:09.477625Z",
"structure_string": "Br32\n1.0\n0.000000 11.553357 16.012611\n7.047216 0.000000 16.012611\n7.047216 11.553357 0.000000\nBr\n32\ndirect\n0.327723 0.306405 0.263067 Br\n0.102804 0.263067 0.306405 Br\n0.263067 0.102804 0.327723 Br\n0.306405 0.327723 0.102804 Br\n0.922277 0.943595 0.986933 Br\n0.147196 0.986933 0.943595 Br\n0.986933 0.147196 0.922277 Br\n0.943595 0.922277 0.147196 Br\n0.337623 0.438763 0.412924 Br\n0.810690 0.412924 0.438763 Br\n0.412924 0.810690 0.337623 Br\n0.438763 0.337623 0.810690 Br\n0.912377 0.811237 0.837076 Br\n0.439310 0.837076 0.811237 Br\n0.837076 0.439310 0.912377 Br\n0.811237 0.912377 0.439310 Br\n0.498359 0.396418 0.342057 Br\n0.763166 0.342057 0.396418 Br\n0.342057 0.763166 0.498359 Br\n0.396418 0.498359 0.763166 Br\n0.751641 0.853582 0.907943 Br\n0.486834 0.907943 0.853582 Br\n0.907943 0.486834 0.751641 Br\n0.853582 0.751641 0.486834 Br\n0.505913 0.521978 0.074732 Br\n0.897378 0.074732 0.521978 Br\n0.074732 0.897378 0.505913 Br\n0.521978 0.505913 0.897378 Br\n0.744087 0.728022 0.175268 Br\n0.352622 0.175268 0.728022 Br\n0.175268 0.352622 0.744087 Br\n0.728022 0.744087 0.352622 Br\n",
"nsites": 32,
"nelements": 1,
"elements": [
"Br"
],
"chemical_system": "Br",
"density": 1.6283571714789462,
"density_atomic": 0.0122724720884943,
"volume": 2607.4616238076983,
"volume_molar": 49.07031539021289,
"formula_full": "Br32",
"formula_reduced": "Br",
"formula_anonymous": "A",
"energy": -48.74755425,
"energy_per_atom": -1.5233610703125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.74755425,
"band_gap": 1.4606,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0118096,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:29.821000Z",
"spacegroup": 70
},
{
"id": "mp-1010048",
"created_at": "2022-09-04T14:41:52.170840Z",
"structure_string": "Br1\n1.0\n-1.437199 1.437199 4.380070\n1.437199 -1.437199 4.380070\n1.437199 1.437199 -4.380070\nBr\n1\ndirect\n0.000000 0.000000 0.000000 Br\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Br"
],
"chemical_system": "Br",
"density": 3.6664246398216287,
"density_atomic": 0.027632815972377392,
"volume": 36.188856068799886,
"volume_molar": 21.793438518969317,
"formula_full": "Br1",
"formula_reduced": "Br",
"formula_anonymous": "A",
"energy": -1.43585196,
"energy_per_atom": -1.43585196,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.43585196,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008133,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:31.768000Z",
"spacegroup": 139
},
{
"id": "mp-998864",
"created_at": "2022-09-04T14:44:20.031647Z",
"structure_string": "Br1\n1.0\n-1.280514 1.941999 3.896745\n1.280514 -1.941999 3.896745\n1.280514 1.941999 -3.896745\nBr\n1\ndirect\n0.000000 0.000000 0.000000 Br\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Br"
],
"chemical_system": "Br",
"density": 3.423121443241446,
"density_atomic": 0.025799107900603573,
"volume": 38.76103018184613,
"volume_molar": 23.342437975768583,
"formula_full": "Br1",
"formula_reduced": "Br",
"formula_anonymous": "A",
"energy": -1.55302833,
"energy_per_atom": -1.55302833,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.55302833,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000402,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:36.553000Z",
"spacegroup": 71
},
{
"id": "mp-1062055",
"created_at": "2022-09-04T14:43:05.784293Z",
"structure_string": "Br3\n1.0\n4.594252 0.000000 0.000000\n0.000000 4.594252 0.000000\n0.000000 0.000000 4.594252\nBr\n3\ndirect\n0.500000 0.000000 0.000000 Br\n0.000000 0.500000 0.000000 Br\n0.000000 0.000000 0.500000 Br\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Br"
],
"chemical_system": "Br",
"density": 4.104822986646732,
"density_atomic": 0.030936901568147854,
"volume": 96.97157271524414,
"volume_molar": 19.465882020325854,
"formula_full": "Br3",
"formula_reduced": "Br",
"formula_anonymous": "A",
"energy": -3.11029283,
"energy_per_atom": -1.0367642766666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.11029283,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.63101,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:05.895000Z",
"spacegroup": 221
},
{
"id": "mp-23154",
"created_at": "2022-09-04T14:46:53.538476Z",
"structure_string": "Br4\n1.0\n2.129324 -4.226095 0.000000\n2.129324 4.226095 0.000000\n0.000000 0.000000 8.743796\nBr\n4\ndirect\n0.642473 0.642473 0.117751 Br\n0.357527 0.357527 0.882249 Br\n0.857527 0.857527 0.617751 Br\n0.142473 0.142473 0.382249 Br\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Br"
],
"chemical_system": "Br",
"density": 3.3726136434377976,
"density_atomic": 0.025418444754827914,
"volume": 157.36604023502463,
"volume_molar": 23.692011128478548,
"formula_full": "Br4",
"formula_reduced": "Br",
"formula_anonymous": "A",
"energy": -6.54773157,
"energy_per_atom": -1.6369328925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.54773157,
"band_gap": 1.4095,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009431,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:36.357000Z",
"spacegroup": 64
},
{
"id": "mp-1078845",
"created_at": "2022-09-04T14:42:07.122183Z",
"structure_string": "C8\n1.0\n2.127572 -4.385604 0.000000\n2.127572 4.385604 0.000000\n0.000000 0.000000 2.514689\nC\n8\ndirect\n0.648212 0.981498 0.000000 C\n0.351788 0.018502 0.000000 C\n0.018502 0.351788 0.000000 C\n0.981498 0.648212 0.000000 C\n0.404684 0.226369 0.500000 C\n0.595316 0.773631 0.500000 C\n0.773631 0.595316 0.500000 C\n0.226369 0.404684 0.500000 C\n",
"nsites": 8,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 3.4000041388062128,
"density_atomic": 0.17047552195583454,
"volume": 46.92755832753853,
"volume_molar": 3.53255452214434,
"formula_full": "C8",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -71.68716467,
"energy_per_atom": -8.96089558375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -71.68716467,
"band_gap": 3.3272999999999997,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002083,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:32.830000Z",
"spacegroup": 65
},
{
"id": "mp-1244964",
"created_at": "2022-09-04T14:47:11.557466Z",
"structure_string": "C100\n1.0\n10.247851 -0.106168 0.008782\n-0.098855 10.894242 0.432224\n0.005544 0.456147 10.113102\nC\n100\ndirect\n0.880695 0.106943 0.226036 C\n0.721724 0.054992 0.910856 C\n0.869163 0.799839 0.010259 C\n0.923783 0.822262 0.127703 C\n0.336074 0.462276 0.463976 C\n0.902164 0.754814 0.616648 C\n0.737138 0.593871 0.646607 C\n0.873592 0.229270 0.792189 C\n0.452845 0.656236 0.768730 C\n0.911276 0.187923 0.666603 C\n0.264354 0.672831 0.911207 C\n0.111939 0.043947 0.976100 C\n0.372378 0.617000 0.259909 C\n0.345084 0.062971 0.269590 C\n0.809643 0.386208 0.561082 C\n0.581770 0.302167 0.239567 C\n0.257463 0.707812 0.046086 C\n0.409680 0.161492 0.187029 C\n0.230522 0.265357 0.410041 C\n0.039619 0.614130 0.382656 C\n0.925236 0.540734 0.354304 C\n0.302224 0.458753 0.830694 C\n0.870857 0.806702 0.494554 C\n0.679664 0.176342 0.916817 C\n0.581615 0.830157 0.247395 C\n0.292382 0.344199 0.505486 C\n0.667353 0.541004 0.075615 C\n0.266453 0.085062 0.730494 C\n0.861342 0.559323 0.232894 C\n0.786922 0.823267 0.907333 C\n0.383792 0.388135 0.746425 C\n0.224577 0.375605 0.044677 C\n0.119894 0.075228 0.766123 C\n0.232937 0.316741 0.279815 C\n0.358579 0.579383 0.878955 C\n0.373172 0.931949 0.288001 C\n0.452073 0.833570 0.286389 C\n0.485050 0.788904 0.792241 C\n0.070200 0.998062 0.103214 C\n0.768470 0.550597 0.150358 C\n0.086292 0.110444 0.530250 C\n0.252460 0.903428 0.363015 C\n0.826409 0.160710 0.331506 C\n0.744763 0.946424 0.899828 C\n0.583228 0.444154 0.883481 C\n0.627041 0.384477 0.337543 C\n0.656345 0.553543 0.561290 C\n0.663734 0.381320 0.777254 C\n0.797014 0.695636 0.705314 C\n0.367668 0.554357 0.547463 C\n0.698818 0.825661 0.225098 C\n0.349508 0.631879 0.124227 C\n0.323719 0.309704 0.645789 C\n0.810114 0.234355 0.432398 C\n0.029419 0.114361 0.647812 C\n0.660918 0.233415 0.153191 C\n0.145485 0.843150 0.904713 C\n0.074666 0.203964 0.155919 C\n0.378074 0.720131 0.354141 C\n0.446296 0.285819 0.224712 C\n0.869207 0.828825 0.371132 C\n0.335899 0.434050 0.094836 C\n0.543770 0.482754 0.368179 C\n0.596341 0.190462 0.034735 C\n0.135543 0.732745 0.707000 C\n0.238095 0.774936 0.384202 C\n0.859068 0.445727 0.433984 C\n0.121021 0.965493 0.872883 C\n0.175668 0.133869 0.435796 C\n0.727247 0.453465 0.651782 C\n0.162689 0.294958 0.158016 C\n0.075555 0.146216 0.887551 C\n0.752521 0.362148 0.399873 C\n0.032055 0.743678 0.646850 C\n0.453509 0.656416 0.480825 C\n0.587779 0.717918 0.808673 C\n0.162385 0.804064 0.044781 C\n0.566739 0.573373 0.455534 C\n0.009093 0.097428 0.167728 C\n0.767722 0.172325 0.205056 C\n0.355027 0.390155 0.237560 C\n0.065673 0.867900 0.124073 C\n0.413859 0.537742 0.025255 C\n0.416844 0.634335 0.629075 C\n0.835864 0.827057 0.241093 C\n0.482017 0.137327 0.078845 C\n0.565944 0.510061 0.000272 C\n0.400755 0.489265 0.324373 C\n0.846617 0.250860 0.561103 C\n0.425423 0.899897 0.767804 C\n0.191543 0.747674 0.828117 C\n0.217682 0.386903 0.907298 C\n0.967971 0.218076 0.889761 C\n0.310590 0.194658 0.690989 C\n0.735681 0.265537 0.827147 C\n0.350633 0.984966 0.744159 C\n0.129330 0.690814 0.391654 C\n0.731603 0.737308 0.810476 C\n0.514185 0.388961 0.789998 C\n0.236303 0.042703 0.358403 C\n",
"nsites": 100,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 1.7697928374749723,
"density_atomic": 0.08873705601669549,
"volume": 1126.924922787448,
"volume_molar": 6.786500510978143,
"formula_full": "C100",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -829.4068817900002,
"energy_per_atom": -8.294068817900001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -829.4068817900002,
"band_gap": 0.0724,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0008597,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:59.504000Z",
"spacegroup": 1
},
{
"id": "mp-667273",
"created_at": "2022-09-04T14:43:49.709357Z",
"structure_string": "C60\n1.0\n0.000000 7.011748 7.011748\n7.011748 0.000000 7.011748\n7.011748 7.011748 0.000000\nC\n60\ndirect\n0.426958 0.202157 0.901457 C\n0.098543 0.530572 0.573042 C\n0.901618 0.265831 0.301438 C\n0.202157 0.901457 0.426958 C\n0.573042 0.530572 0.797843 C\n0.734169 0.098382 0.468887 C\n0.901457 0.426958 0.202157 C\n0.698562 0.098382 0.734169 C\n0.699002 0.200941 0.799059 C\n0.468887 0.098382 0.698562 C\n0.797843 0.530572 0.098543 C\n0.531113 0.901618 0.301438 C\n0.799059 0.200941 0.300998 C\n0.530572 0.573042 0.098543 C\n0.469428 0.202157 0.426958 C\n0.098543 0.573042 0.797843 C\n0.468887 0.734169 0.098382 C\n0.426958 0.901457 0.469428 C\n0.573042 0.098543 0.530572 C\n0.530572 0.098543 0.797843 C\n0.301438 0.265831 0.531113 C\n0.098543 0.797843 0.530572 C\n0.200941 0.799059 0.699002 C\n0.098382 0.468887 0.734169 C\n0.265831 0.901618 0.531113 C\n0.202157 0.469428 0.901457 C\n0.901457 0.469428 0.426958 C\n0.300998 0.799059 0.200941 C\n0.301438 0.901618 0.265831 C\n0.530572 0.797843 0.573042 C\n0.265831 0.531113 0.301438 C\n0.301438 0.531113 0.901618 C\n0.098382 0.698562 0.468887 C\n0.200941 0.699002 0.300998 C\n0.468887 0.698562 0.734169 C\n0.573042 0.797843 0.098543 C\n0.300998 0.200941 0.699002 C\n0.531113 0.265831 0.901618 C\n0.734169 0.468887 0.698562 C\n0.265831 0.301438 0.901618 C\n0.202157 0.426958 0.469428 C\n0.901618 0.301438 0.531113 C\n0.799059 0.300998 0.699002 C\n0.698562 0.468887 0.098382 C\n0.300998 0.699002 0.799059 C\n0.734169 0.698562 0.098382 C\n0.901457 0.202157 0.469428 C\n0.469428 0.426958 0.901457 C\n0.698562 0.734169 0.468887 C\n0.699002 0.300998 0.200941 C\n0.799059 0.699002 0.200941 C\n0.797843 0.573042 0.530572 C\n0.797843 0.098543 0.573042 C\n0.531113 0.301438 0.265831 C\n0.901618 0.531113 0.265831 C\n0.426958 0.469428 0.202157 C\n0.098382 0.734169 0.698562 C\n0.699002 0.799059 0.300998 C\n0.469428 0.901457 0.202157 C\n0.200941 0.300998 0.799059 C\n",
"nsites": 60,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 1.735640492677213,
"density_atomic": 0.08702466433488479,
"volume": 689.4597118939802,
"volume_molar": 6.920039055624326,
"formula_full": "C60",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -530.27934925,
"energy_per_atom": -8.837989154166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -530.27934925,
"band_gap": 1.0093,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0014353,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:19.488000Z",
"spacegroup": 202
},
{
"id": "mp-611426",
"created_at": "2022-09-04T14:40:15.716016Z",
"structure_string": "C8\n1.0\n1.259972 -2.182335 0.000000\n1.259972 2.182335 0.000000\n0.000000 0.000000 8.307445\nC\n8\ndirect\n0.000000 0.000000 0.592961 C\n0.333333 0.666667 0.344463 C\n0.000000 0.000000 0.407039 C\n0.666667 0.333333 0.655537 C\n0.000000 0.000000 0.907039 C\n0.333333 0.666667 0.155537 C\n0.000000 0.000000 0.092961 C\n0.666667 0.333333 0.844463 C\n",
"nsites": 8,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 3.492429288069796,
"density_atomic": 0.17510970030365489,
"volume": 45.68564726070189,
"volume_molar": 3.43906748144569,
"formula_full": "C8",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -72.64770913,
"energy_per_atom": -9.08096364125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.64770913,
"band_gap": 4.5214,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0116994,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:01.683000Z",
"spacegroup": 194
},
{
"id": "mp-1097832",
"created_at": "2022-09-04T14:47:37.048322Z",
"structure_string": "C2\n1.0\n1.151662 -1.155668 0.000000\n1.151662 1.155668 0.000000\n0.000000 0.000000 9.879877\nC\n2\ndirect\n0.331215 0.331215 0.750000 C\n0.668785 0.668785 0.250000 C\n",
"nsites": 2,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 1.516728173183969,
"density_atomic": 0.07604844477614141,
"volume": 26.299025652493786,
"volume_molar": 7.918821716508422,
"formula_full": "C2",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -13.24200761,
"energy_per_atom": -6.621003805,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.24200761,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0073409,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:13.462000Z",
"spacegroup": 63
},
{
"id": "mp-570002",
"created_at": "2022-09-04T14:48:03.128865Z",
"structure_string": "C8\n1.0\n-2.438465 2.438465 2.438465\n2.438465 -2.438465 2.438465\n2.438465 2.438465 -2.438465\nC\n8\ndirect\n0.325233 0.000000 0.000000 C\n0.674767 0.674767 0.674767 C\n0.000000 0.325233 0.000000 C\n0.000000 0.000000 0.325233 C\n0.000000 0.674767 0.000000 C\n0.325233 0.325233 0.325233 C\n0.674767 0.000000 0.000000 C\n0.000000 0.000000 0.674767 C\n",
"nsites": 8,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 2.751045879921811,
"density_atomic": 0.13793688570884688,
"volume": 57.99753966380077,
"volume_molar": 4.365866844863641,
"formula_full": "C8",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -67.70499972,
"energy_per_atom": -8.463124965,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.70499972,
"band_gap": 3.0059000000000005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001004,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:24.443000Z",
"spacegroup": 229
},
{
"id": "mp-1190171",
"created_at": "2022-09-04T14:48:28.630528Z",
"structure_string": "C16\n1.0\n2.526018 0.000000 0.000000\n0.000000 4.159595 0.000000\n0.000000 0.000000 9.072088\nC\n16\ndirect\n0.750000 0.423520 0.695227 C\n0.750000 0.076480 0.195227 C\n0.250000 0.576480 0.304773 C\n0.250000 0.923520 0.804773 C\n0.250000 0.198409 0.689480 C\n0.250000 0.301591 0.189480 C\n0.750000 0.801591 0.310520 C\n0.750000 0.698409 0.810520 C\n0.250000 0.408205 0.020556 C\n0.250000 0.091795 0.520556 C\n0.750000 0.591795 0.979444 C\n0.750000 0.908205 0.479444 C\n0.250000 0.068374 0.963167 C\n0.250000 0.431626 0.463167 C\n0.750000 0.931626 0.036833 C\n0.750000 0.568374 0.536833 C\n",
"nsites": 16,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 3.3476701266416686,
"density_atomic": 0.16785150513833555,
"volume": 95.3223504717073,
"volume_molar": 3.5877788257167107,
"formula_full": "C16",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -142.97592617,
"energy_per_atom": -8.935995385625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -142.97592617,
"band_gap": 4.3505,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013137,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:46.210000Z",
"spacegroup": 62
}
]
}