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=12169",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_anonymous&page=12167",
"results": [
{
"id": "mp-614456",
"created_at": "2022-09-04T14:40:43.831991Z",
"structure_string": "He1\n1.0\n0.000000 1.849047 1.849047\n1.849047 0.000000 1.849047\n1.849047 1.849047 0.000000\nHe\n1\ndirect\n0.000000 0.000000 0.000000 He\n",
"nsites": 1,
"nelements": 1,
"elements": [
"He"
],
"chemical_system": "He",
"density": 0.5256754057633166,
"density_atomic": 0.0790908336294941,
"volume": 12.643690224388857,
"volume_molar": 7.614208225710568,
"formula_full": "He1",
"formula_reduced": "He",
"formula_anonymous": "A",
"energy": -0.00075975,
"energy_per_atom": -0.00075975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.00075975,
"band_gap": 17.8914,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:11.661000Z",
"spacegroup": 225
},
{
"id": "mp-1194030",
"created_at": "2022-09-04T14:40:34.012404Z",
"structure_string": "Fe28\n1.0\n8.617901 0.000000 0.000000\n0.000000 8.617901 0.000000\n0.000000 0.000000 4.574472\nFe\n28\ndirect\n0.904908 0.095092 0.500000 Fe\n0.095092 0.904908 0.500000 Fe\n0.404908 0.404908 0.000000 Fe\n0.595092 0.595092 0.000000 Fe\n0.980907 0.366757 0.500000 Fe\n0.019093 0.633243 0.500000 Fe\n0.480907 0.133243 0.000000 Fe\n0.519093 0.866757 0.000000 Fe\n0.366757 0.980907 0.500000 Fe\n0.633243 0.019093 0.500000 Fe\n0.133243 0.480907 0.000000 Fe\n0.866757 0.519093 0.000000 Fe\n0.270736 0.468578 0.500000 Fe\n0.729264 0.531422 0.500000 Fe\n0.770736 0.031422 0.000000 Fe\n0.229264 0.968578 0.000000 Fe\n0.468578 0.270736 0.500000 Fe\n0.531422 0.729264 0.500000 Fe\n0.031422 0.770736 0.000000 Fe\n0.968578 0.229264 0.000000 Fe\n0.715388 0.284612 0.245616 Fe\n0.284612 0.715388 0.245616 Fe\n0.215388 0.215388 0.745616 Fe\n0.784612 0.784612 0.745616 Fe\n0.284612 0.715388 0.754384 Fe\n0.715388 0.284612 0.754384 Fe\n0.784612 0.784612 0.254384 Fe\n0.215388 0.215388 0.254384 Fe\n",
"nsites": 28,
"nelements": 1,
"elements": [
"Fe"
],
"chemical_system": "Fe",
"density": 7.642711200614063,
"density_atomic": 0.08241647892207345,
"volume": 339.7378821106226,
"volume_molar": 7.306961955623054,
"formula_full": "Fe28",
"formula_reduced": "Fe",
"formula_anonymous": "A",
"energy": -232.25250972,
"energy_per_atom": -8.29473249,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -232.25250972,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 66.5546786,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.414000Z",
"spacegroup": 136
},
{
"id": "mp-1179325",
"created_at": "2022-09-04T14:40:35.686988Z",
"structure_string": "Sr1\n1.0\n3.773016 0.000000 0.000000\n0.000000 3.773016 0.000000\n0.000000 0.000000 3.881346\nSr\n1\ndirect\n0.000000 0.000000 0.000000 Sr\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Sr"
],
"chemical_system": "Sr",
"density": 2.6332536398513917,
"density_atomic": 0.018098406849403732,
"volume": 55.25348216121829,
"volume_molar": 33.27442470550055,
"formula_full": "Sr1",
"formula_reduced": "Sr",
"formula_anonymous": "A",
"energy": -1.28977295,
"energy_per_atom": -1.28977295,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.28977295,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020406,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.499000Z",
"spacegroup": 123
},
{
"id": "mp-37",
"created_at": "2022-09-04T14:40:33.894069Z",
"structure_string": "Th1\n1.0\n0.000000 2.520609 2.520609\n2.520609 0.000000 2.520609\n2.520609 2.520609 0.000000\nTh\n1\ndirect\n0.000000 0.000000 0.000000 Th\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Th"
],
"chemical_system": "Th",
"density": 12.029896193298868,
"density_atomic": 0.03122148505692111,
"volume": 32.02922596977245,
"volume_molar": 19.288450722381718,
"formula_full": "Th1",
"formula_reduced": "Th",
"formula_anonymous": "A",
"energy": -7.41385825,
"energy_per_atom": -7.41385825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.41385825,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007407,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:57.348000Z",
"spacegroup": 225
},
{
"id": "mp-604318",
"created_at": "2022-09-04T14:40:39.078397Z",
"structure_string": "K4\n1.0\n2.352767 -4.075113 0.000000\n2.352767 4.075113 0.000000\n0.000000 0.000000 15.280084\nK\n4\ndirect\n0.000000 0.000000 0.000000 K\n0.333333 0.666667 0.750000 K\n0.000000 0.000000 0.500000 K\n0.666667 0.333333 0.250000 K\n",
"nsites": 4,
"nelements": 1,
"elements": [
"K"
],
"chemical_system": "K",
"density": 0.8863242870425809,
"density_atomic": 0.013651666741064489,
"volume": 293.0045155561789,
"volume_molar": 44.11286089987297,
"formula_full": "K4",
"formula_reduced": "K",
"formula_anonymous": "A",
"energy": -4.39472201,
"energy_per_atom": -1.0986805025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.39472201,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0571651,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:03.834000Z",
"spacegroup": 194
},
{
"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-616440",
"created_at": "2022-09-04T14:43:59.798818Z",
"structure_string": "C16\n1.0\n1.261626 -2.185200 0.000000\n1.261626 2.185200 0.000000\n0.000000 0.000000 16.559912\nC\n16\ndirect\n0.000000 0.000000 0.953187 C\n0.666667 0.333333 0.297321 C\n0.333333 0.666667 0.797321 C\n0.666667 0.333333 0.202679 C\n0.333333 0.666667 0.077931 C\n0.333333 0.666667 0.328685 C\n0.333333 0.666667 0.422069 C\n0.666667 0.333333 0.671315 C\n0.333333 0.666667 0.702679 C\n0.000000 0.000000 0.453187 C\n0.000000 0.000000 0.046813 C\n0.333333 0.666667 0.171315 C\n0.666667 0.333333 0.828685 C\n0.000000 0.000000 0.546813 C\n0.666667 0.333333 0.577931 C\n0.666667 0.333333 0.922069 C\n",
"nsites": 16,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 3.4948420856278513,
"density_atomic": 0.17523067748670842,
"volume": 91.30821286252021,
"volume_molar": 3.43669319001337,
"formula_full": "C16",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -145.36998162,
"energy_per_atom": -9.08562385125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -145.36998162,
"band_gap": 4.3668,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001867,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:12.412000Z",
"spacegroup": 194
},
{
"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-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-23156",
"created_at": "2022-09-04T14:43:56.764525Z",
"structure_string": "He2\n1.0\n1.366348 -2.366585 0.000000\n1.366348 2.366585 0.000000\n0.000000 0.000000 4.449274\nHe\n2\ndirect\n0.333333 0.666667 0.250000 He\n0.666667 0.333333 0.750000 He\n",
"nsites": 2,
"nelements": 1,
"elements": [
"He"
],
"chemical_system": "He",
"density": 0.46197547512238424,
"density_atomic": 0.0695068193094468,
"volume": 28.774155109816345,
"volume_molar": 8.664100616069366,
"formula_full": "He2",
"formula_reduced": "He",
"formula_anonymous": "A",
"energy": -0.01417751,
"energy_per_atom": -0.007088755,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.01417751,
"band_gap": 17.7675,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:12.785000Z",
"spacegroup": 194
},
{
"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-55",
"created_at": "2022-09-04T14:44:02.013870Z",
"structure_string": "Sn1\n1.0\n-2.021453 2.021453 1.702246\n2.021453 -2.021453 1.702246\n2.021453 2.021453 -1.702246\nSn\n1\ndirect\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Sn"
],
"chemical_system": "Sn",
"density": 7.084786909718077,
"density_atomic": 0.0359410193241277,
"volume": 27.823362241946384,
"volume_molar": 16.75562038374703,
"formula_full": "Sn1",
"formula_reduced": "Sn",
"formula_anonymous": "A",
"energy": -3.94648406,
"energy_per_atom": -3.94648406,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.94648406,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005855,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:35.984000Z",
"spacegroup": 139
}
]
}