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=-formula_anonymous&page=12181",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_anonymous&page=12179",
"results": [
{
"id": "mp-1217756",
"created_at": "2022-09-04T14:42:54.550985Z",
"structure_string": "Ta1\n1.0\n2.749682 0.000000 0.000000\n0.000000 2.749682 0.000000\n0.000000 0.000000 2.749682\nTa\n1\ndirect\n0.000000 0.000000 0.000000 Ta\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ta"
],
"chemical_system": "Ta",
"density": 14.452906217870051,
"density_atomic": 0.048100831944077466,
"volume": 20.78966120924084,
"volume_molar": 12.519826615476015,
"formula_full": "Ta1",
"formula_reduced": "Ta",
"formula_anonymous": "A",
"energy": -10.75863415,
"energy_per_atom": -10.75863415,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.75863415,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003866,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:00.420000Z",
"spacegroup": 221
},
{
"id": "mp-70",
"created_at": "2022-09-04T14:42:59.888532Z",
"structure_string": "Rb1\n1.0\n-2.822078 2.822078 2.822078\n2.822078 -2.822078 2.822078\n2.822078 2.822078 -2.822078\nRb\n1\ndirect\n0.000000 0.000000 0.000000 Rb\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Rb"
],
"chemical_system": "Rb",
"density": 1.578645412106472,
"density_atomic": 0.011123282552164366,
"volume": 89.90151920625446,
"volume_molar": 54.13996031979079,
"formula_full": "Rb1",
"formula_reduced": "Rb",
"formula_anonymous": "A",
"energy": -0.9713216,
"energy_per_atom": -0.9713216,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.9713216,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0027642,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:08.439000Z",
"spacegroup": 229
},
{
"id": "mp-569416",
"created_at": "2022-09-04T14:43:04.541412Z",
"structure_string": "C8\n1.0\n19.101325 -1.234578 0.000000\n19.101325 1.234578 0.000000\n19.021531 0.000000 2.136862\nC\n8\ndirect\n0.031609 0.031609 0.031609 C\n0.905413 0.905413 0.905413 C\n0.761271 0.761271 0.761271 C\n0.094587 0.094587 0.094587 C\n0.968391 0.968391 0.968391 C\n0.364913 0.364913 0.364913 C\n0.238729 0.238729 0.238729 C\n0.635087 0.635087 0.635087 C\n",
"nsites": 8,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 1.5831384782625817,
"density_atomic": 0.07937824408206161,
"volume": 100.78328252927291,
"volume_molar": 7.586638920576629,
"formula_full": "C8",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -73.5878218,
"energy_per_atom": -9.198477725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -73.5878218,
"band_gap": 0.1056000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.98e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:04.295000Z",
"spacegroup": 166
},
{
"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-1182684",
"created_at": "2022-09-04T14:43:49.543617Z",
"structure_string": "C80\n1.0\n9.335196 0.000000 0.000000\n0.000000 10.900048 0.000000\n0.000000 0.000000 14.524954\nC\n80\ndirect\n0.165118 0.266980 0.886876 C\n0.834882 0.766980 0.613124 C\n0.334882 0.733020 0.386876 C\n0.665118 0.233020 0.113124 C\n0.156643 0.165751 0.826578 C\n0.843357 0.665751 0.673422 C\n0.343357 0.834249 0.326578 C\n0.656643 0.334249 0.173422 C\n0.120897 0.082725 0.665411 C\n0.879103 0.582725 0.834589 C\n0.379103 0.917275 0.165411 C\n0.620897 0.417275 0.334589 C\n0.097701 0.048880 0.585511 C\n0.902299 0.548880 0.914489 C\n0.402299 0.951120 0.085511 C\n0.597701 0.451120 0.414489 C\n0.052593 0.257901 0.311960 C\n0.947407 0.757901 0.188040 C\n0.447407 0.742099 0.811960 C\n0.552593 0.242099 0.688040 C\n0.041982 0.370973 0.336179 C\n0.958018 0.870973 0.163821 C\n0.458018 0.629027 0.836179 C\n0.541982 0.129027 0.663821 C\n0.047015 0.395785 0.425328 C\n0.952985 0.895785 0.074672 C\n0.452985 0.604215 0.925328 C\n0.547015 0.104215 0.574672 C\n0.040569 0.370174 0.512162 C\n0.959431 0.870174 0.987838 C\n0.459431 0.629826 0.012162 C\n0.540569 0.129826 0.487838 C\n0.110173 0.394434 0.755723 C\n0.889827 0.894434 0.744277 C\n0.389827 0.605566 0.255723 C\n0.610173 0.105566 0.244277 C\n0.137404 0.382413 0.841338 C\n0.862596 0.882413 0.658662 C\n0.362596 0.617587 0.341338 C\n0.637404 0.117587 0.158662 C\n0.127208 0.174232 0.734765 C\n0.872792 0.674232 0.765235 C\n0.372792 0.825768 0.234765 C\n0.627208 0.325768 0.265235 C\n0.042046 0.106347 0.504003 C\n0.957954 0.606347 0.995997 C\n0.457954 0.893653 0.004003 C\n0.542046 0.393653 0.495997 C\n0.055829 0.309635 0.597835 C\n0.944171 0.809635 0.902165 C\n0.444171 0.690365 0.097835 C\n0.555829 0.190365 0.402165 C\n0.095202 0.302036 0.692528 C\n0.904798 0.802036 0.807472 C\n0.404798 0.697964 0.192528 C\n0.595202 0.197964 0.307472 C\n0.245758 0.266833 0.060635 C\n0.754242 0.766833 0.439365 C\n0.254242 0.733167 0.560635 C\n0.745758 0.233167 0.939365 C\n0.292721 0.287669 0.143935 C\n0.707279 0.787669 0.356065 C\n0.207279 0.712331 0.643935 C\n0.792721 0.212331 0.856065 C\n0.203258 0.257758 0.977158 C\n0.796742 0.757758 0.522842 C\n0.296742 0.742242 0.477158 C\n0.703258 0.242242 0.022842 C\n0.023351 0.139864 0.329067 C\n0.976649 0.639864 0.170933 C\n0.476649 0.860136 0.829067 C\n0.523351 0.360136 0.670933 C\n0.039148 0.093596 0.408549 C\n0.960852 0.593596 0.091451 C\n0.460852 0.906404 0.908549 C\n0.539148 0.406404 0.591451 C\n0.025188 0.227423 0.531218 C\n0.974812 0.727423 0.968782 C\n0.474812 0.772577 0.031218 C\n0.525188 0.272577 0.468782 C\n",
"nsites": 80,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 1.0795450913615907,
"density_atomic": 0.05412817320550197,
"volume": 1477.9733965207647,
"volume_molar": 11.125704791729174,
"formula_full": "C80",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -615.92021779,
"energy_per_atom": -7.699002722375001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -615.92021779,
"band_gap": 0.2606999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002231,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:28.981000Z",
"spacegroup": 19
},
{
"id": "mp-149",
"created_at": "2022-09-04T14:43:49.600359Z",
"structure_string": "Si2\n1.0\n0.000000 2.734364 2.734364\n2.734364 0.000000 2.734364\n2.734364 2.734364 0.000000\nSi\n2\ndirect\n0.250000 0.250000 0.250000 Si\n0.000000 0.000000 0.000000 Si\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Si"
],
"chemical_system": "Si",
"density": 2.2811942835376744,
"density_atomic": 0.048913756497547395,
"volume": 40.88829284866483,
"volume_molar": 12.31175274853805,
"formula_full": "Si2",
"formula_reduced": "Si",
"formula_anonymous": "A",
"energy": -10.85062804,
"energy_per_atom": -5.42531402,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.85062804,
"band_gap": 0.6105,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006133,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:12.691000Z",
"spacegroup": 227
},
{
"id": "mp-1066523",
"created_at": "2022-09-04T14:43:58.237224Z",
"structure_string": "Mo4\n1.0\n1.408793 -2.440102 0.000000\n1.408793 2.440102 0.000000\n0.000000 0.000000 9.165701\nMo\n4\ndirect\n0.000000 0.000000 0.500000 Mo\n0.000000 0.000000 0.000000 Mo\n0.333333 0.666667 0.250000 Mo\n0.666667 0.333333 0.750000 Mo\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Mo"
],
"chemical_system": "Mo",
"density": 10.112486516877373,
"density_atomic": 0.06347594044119553,
"volume": 63.016002160781255,
"volume_molar": 9.487280878617222,
"formula_full": "Mo4",
"formula_reduced": "Mo",
"formula_anonymous": "A",
"energy": -41.6140946,
"energy_per_atom": -10.40352365,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.6140946,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0059016,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:25.768000Z",
"spacegroup": 194
},
{
"id": "mp-1186899",
"created_at": "2022-09-04T14:43:48.575215Z",
"structure_string": "Rb29\n1.0\n-8.669277 8.669277 8.669277\n8.669277 -8.669277 8.669277\n8.669277 8.669277 -8.669277\nRb\n29\ndirect\n0.000000 0.000000 0.000000 Rb\n0.000000 0.000000 0.364538 Rb\n0.000000 0.318162 0.597454 Rb\n0.000000 0.364538 0.000000 Rb\n0.000000 0.597454 0.318162 Rb\n0.000000 0.626625 0.809752 Rb\n0.000000 0.809752 0.626625 Rb\n0.816872 0.190248 0.190248 Rb\n0.809752 0.000000 0.626625 Rb\n0.809752 0.626625 0.000000 Rb\n0.720709 0.402546 0.402546 Rb\n0.681838 0.681838 0.279291 Rb\n0.681838 0.279291 0.681838 Rb\n0.635462 0.635462 0.635462 Rb\n0.626625 0.809752 0.000000 Rb\n0.626625 0.000000 0.809752 Rb\n0.597454 0.000000 0.318162 Rb\n0.597454 0.318162 0.000000 Rb\n0.402546 0.402546 0.720709 Rb\n0.402546 0.720709 0.402546 Rb\n0.373375 0.373375 0.183128 Rb\n0.373375 0.183128 0.373375 Rb\n0.364538 0.000000 0.000000 Rb\n0.318162 0.597454 0.000000 Rb\n0.318162 0.000000 0.597454 Rb\n0.279291 0.681838 0.681838 Rb\n0.190248 0.190248 0.816872 Rb\n0.190248 0.816872 0.190248 Rb\n0.183128 0.373375 0.373375 Rb\n",
"nsites": 29,
"nelements": 1,
"elements": [
"Rb"
],
"chemical_system": "Rb",
"density": 1.5792140164459703,
"density_atomic": 0.011127288991279906,
"volume": 2606.2053410068124,
"volume_molar": 54.120466941402846,
"formula_full": "Rb29",
"formula_reduced": "Rb",
"formula_anonymous": "A",
"energy": -27.301436,
"energy_per_atom": -0.9414288275862068,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.301436,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.0326358,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:18.476000Z",
"spacegroup": 217
},
{
"id": "mp-43",
"created_at": "2022-09-04T14:43:49.022652Z",
"structure_string": "U30\n1.0\n10.418496 0.000000 0.000000\n0.000000 10.418496 0.000000\n0.000000 0.000000 5.705748\nU\n30\ndirect\n0.000000 0.000000 0.731135 U\n0.500000 0.500000 0.231135 U\n0.109704 0.109704 0.267422 U\n0.609704 0.390296 0.767422 U\n0.390296 0.609704 0.767422 U\n0.890296 0.890296 0.267422 U\n0.322935 0.322935 0.947577 U\n0.822935 0.177065 0.447577 U\n0.177065 0.822935 0.447577 U\n0.677065 0.677065 0.947577 U\n0.676856 0.676856 0.498668 U\n0.176856 0.823144 0.998668 U\n0.823144 0.176856 0.998668 U\n0.323144 0.323144 0.498668 U\n0.228846 0.555697 0.249766 U\n0.055697 0.271154 0.749766 U\n0.944303 0.728846 0.749766 U\n0.771154 0.444303 0.249766 U\n0.728846 0.944303 0.749766 U\n0.271154 0.055697 0.749766 U\n0.444303 0.771154 0.249766 U\n0.555697 0.228846 0.249766 U\n0.049696 0.358722 0.190617 U\n0.858722 0.450304 0.690617 U\n0.141278 0.549696 0.690617 U\n0.950304 0.641278 0.190617 U\n0.549696 0.141278 0.690617 U\n0.450304 0.858722 0.690617 U\n0.641278 0.950304 0.190617 U\n0.358722 0.049696 0.190617 U\n",
"nsites": 30,
"nelements": 1,
"elements": [
"U"
],
"chemical_system": "U",
"density": 19.145971790671382,
"density_atomic": 0.04843938374975437,
"volume": 619.3307527400599,
"volume_molar": 12.432323233324656,
"formula_full": "U30",
"formula_reduced": "U",
"formula_anonymous": "A",
"energy": -336.05216356,
"energy_per_atom": -11.201738785333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -336.05216356,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1589516,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:25.338000Z",
"spacegroup": 102
},
{
"id": "mp-1056418",
"created_at": "2022-09-04T14:43:55.002134Z",
"structure_string": "Sr1\n1.0\n5.170111 -8.954895 0.000000\n5.170111 8.954895 0.000000\n0.000000 0.000000 4.600698\nSr\n1\ndirect\n0.000000 0.000000 0.000000 Sr\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Sr"
],
"chemical_system": "Sr",
"density": 0.3415373931520808,
"density_atomic": 0.0023473935826022274,
"volume": 426.0044022491702,
"volume_molar": 256.54584747241637,
"formula_full": "Sr1",
"formula_reduced": "Sr",
"formula_anonymous": "A",
"energy": -0.28976532,
"energy_per_atom": -0.28976532,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.28976532,
"band_gap": 0.3718999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.00039,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:23.624000Z",
"spacegroup": 191
},
{
"id": "mp-1120743",
"created_at": "2022-09-04T14:43:57.868508Z",
"structure_string": "P4\n1.0\n4.148696 -5.785817 0.000000\n4.148696 5.785817 0.000000\n0.000000 0.000000 7.155529\nP\n4\ndirect\n0.394198 0.394198 0.448684 P\n0.894198 0.894198 0.051316 P\n0.605802 0.605802 0.551316 P\n0.105802 0.105802 0.948684 P\n",
"nsites": 4,
"nelements": 1,
"elements": [
"P"
],
"chemical_system": "P",
"density": 0.5989009446267416,
"density_atomic": 0.01164426133023683,
"volume": 343.5168523410875,
"volume_molar": 51.71767095575411,
"formula_full": "P4",
"formula_reduced": "P",
"formula_anonymous": "A",
"energy": -18.16121976,
"energy_per_atom": -4.54030494,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.16121976,
"band_gap": 2.7833,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000216,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:21.394000Z",
"spacegroup": 64
},
{
"id": "mp-23158",
"created_at": "2022-09-04T14:43:57.501613Z",
"structure_string": "He1\n1.0\n-1.580307 1.580307 1.580307\n1.580307 -1.580307 1.580307\n1.580307 1.580307 -1.580307\nHe\n1\ndirect\n0.000000 0.000000 0.000000 He\n",
"nsites": 1,
"nelements": 1,
"elements": [
"He"
],
"chemical_system": "He",
"density": 0.4210242614550255,
"density_atomic": 0.06334547793493855,
"volume": 15.786446524676775,
"volume_molar": 9.506820307181636,
"formula_full": "He1",
"formula_reduced": "He",
"formula_anonymous": "A",
"energy": -0.00905916,
"energy_per_atom": -0.00905916,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.00905916,
"band_gap": 17.6377,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.56e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:23.038000Z",
"spacegroup": 229
}
]
}