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=55",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_anonymous&page=53",
"results": [
{
"id": "mp-39",
"created_at": "2022-09-04T14:39:18.201038Z",
"structure_string": "Tl1\n1.0\n-1.981770 1.981770 1.981770\n1.981770 -1.981770 1.981770\n1.981770 1.981770 -1.981770\nTl\n1\ndirect\n0.000000 0.000000 0.000000 Tl\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Tl"
],
"chemical_system": "Tl",
"density": 10.90121145338983,
"density_atomic": 0.03212034928955766,
"volume": 31.132911755884933,
"volume_molar": 18.748677686259782,
"formula_full": "Tl1",
"formula_reduced": "Tl",
"formula_anonymous": "A",
"energy": -2.36165298,
"energy_per_atom": -2.36165298,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.36165298,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.26e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:40.186000Z",
"spacegroup": 229
},
{
"id": "mp-1184115",
"created_at": "2022-09-04T14:41:57.752897Z",
"structure_string": "Er3\n1.0\n8.579066 -1.767589 0.000000\n8.579066 1.767589 0.000000\n8.214880 0.000000 3.039815\nEr\n3\ndirect\n0.000000 0.000000 0.000000 Er\n0.222030 0.222030 0.222030 Er\n0.777970 0.777970 0.777970 Er\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Er"
],
"chemical_system": "Er",
"density": 9.037772387254838,
"density_atomic": 0.03254039393497425,
"volume": 92.19310638939791,
"volume_molar": 18.506662125953653,
"formula_full": "Er3",
"formula_reduced": "Er",
"formula_anonymous": "A",
"energy": -13.70315643,
"energy_per_atom": -4.56771881,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.70315643,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0082183,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:30.907000Z",
"spacegroup": 166
},
{
"id": "mp-1245242",
"created_at": "2022-09-04T14:48:04.450509Z",
"structure_string": "Si100\n1.0\n12.341939 0.994215 -0.817928\n0.899458 12.602515 -1.089302\n-0.787931 -1.189985 12.529402\nSi\n100\ndirect\n0.107416 0.928974 0.489870 Si\n0.072505 0.430407 0.547681 Si\n0.341158 0.405417 0.697023 Si\n0.662738 0.341278 0.730780 Si\n0.226492 0.004496 0.397559 Si\n0.420641 0.062285 0.206205 Si\n0.894916 0.635448 0.781319 Si\n0.663330 0.027778 0.627054 Si\n0.215963 0.691336 0.715841 Si\n0.613196 0.378662 0.554788 Si\n0.782654 0.324374 0.476086 Si\n0.930085 0.027419 0.464230 Si\n0.699006 0.969713 0.933171 Si\n0.477748 0.829316 0.772232 Si\n0.328351 0.716184 0.031302 Si\n0.696677 0.106233 0.399520 Si\n0.340245 0.400367 0.492540 Si\n0.374052 0.277006 0.825458 Si\n0.516785 0.165047 0.122597 Si\n0.072205 0.517316 0.014687 Si\n0.419449 0.093607 0.766188 Si\n0.853204 0.996757 0.067812 Si\n0.887648 0.466321 0.471596 Si\n0.889603 0.771921 0.563253 Si\n0.261216 0.132018 0.563751 Si\n0.506447 0.759533 0.015805 Si\n0.843427 0.180338 0.900921 Si\n0.115094 0.008566 0.064220 Si\n0.961449 0.957982 0.243232 Si\n0.385509 0.528879 0.997367 Si\n0.056263 0.813488 0.665510 Si\n0.341765 0.741820 0.469641 Si\n0.571121 0.267866 0.853736 Si\n0.984251 0.689040 0.095358 Si\n0.968273 0.376741 0.021407 Si\n0.802645 0.193228 0.096174 Si\n0.147803 0.739057 0.435212 Si\n0.196422 0.781872 0.896819 Si\n0.669589 0.815942 0.805783 Si\n0.717191 0.584086 0.148461 Si\n0.553192 0.518478 0.305588 Si\n0.684879 0.179638 0.234514 Si\n0.417052 0.918640 0.944516 Si\n0.357844 0.848803 0.340932 Si\n0.508066 0.710832 0.202193 Si\n0.405439 0.882403 0.605558 Si\n0.951806 0.207756 0.453740 Si\n0.834374 0.761389 0.376539 Si\n0.886123 0.993439 0.793765 Si\n0.929383 0.317586 0.176044 Si\n0.653601 0.504943 0.851613 Si\n0.164433 0.389181 0.395819 Si\n0.504522 0.088014 0.398895 Si\n0.741165 0.660510 0.877460 Si\n0.464678 0.049285 0.574163 Si\n0.786408 0.716571 0.067981 Si\n0.942836 0.626338 0.259838 Si\n0.092812 0.255741 0.592127 Si\n0.258403 0.446107 0.070000 Si\n0.540901 0.901014 0.166576 Si\n0.719687 0.843680 0.639306 Si\n0.515546 0.062740 0.943501 Si\n0.012210 0.317212 0.753620 Si\n0.654222 0.323274 0.030777 Si\n0.837655 0.475811 0.273104 Si\n0.771342 0.441631 0.000159 Si\n0.045757 0.069242 0.897036 Si\n0.657744 0.697610 0.360195 Si\n0.286850 0.072437 0.043582 Si\n0.080117 0.790052 0.252336 Si\n0.414579 0.660380 0.720799 Si\n0.048272 0.251339 0.315213 Si\n0.039368 0.834241 0.003055 Si\n0.681851 0.097428 0.815299 Si\n0.550767 0.492932 0.114068 Si\n0.103597 0.067456 0.253843 Si\n0.546611 0.872090 0.351051 Si\n0.700505 0.370358 0.308783 Si\n0.398408 0.550265 0.411685 Si\n0.830793 0.615104 0.594262 Si\n0.261214 0.002393 0.686182 Si\n0.061426 0.002957 0.678078 Si\n0.041172 0.501194 0.822237 Si\n0.261890 0.738938 0.200704 Si\n0.488032 0.282258 0.425061 Si\n0.168285 0.517350 0.705303 Si\n0.646983 0.685675 0.544645 Si\n0.526144 0.569952 0.575418 Si\n0.801542 0.935216 0.325478 Si\n0.271455 0.256806 0.976874 Si\n0.454269 0.521195 0.826870 Si\n0.842092 0.247806 0.735560 Si\n0.116926 0.561621 0.341703 Si\n0.505165 0.327452 0.251099 Si\n0.266947 0.561162 0.245633 Si\n0.082786 0.247399 0.910318 Si\n0.844970 0.072198 0.628092 Si\n0.959503 0.812228 0.819492 Si\n0.725390 0.903252 0.138377 Si\n0.224011 0.956645 0.859563 Si\n",
"nsites": 100,
"nelements": 1,
"elements": [
"Si"
],
"chemical_system": "Si",
"density": 2.4350755585557375,
"density_atomic": 0.05221330501477975,
"volume": 1915.2206505926702,
"volume_molar": 11.533728344327839,
"formula_full": "Si100",
"formula_reduced": "Si",
"formula_anonymous": "A",
"energy": -510.84078139,
"energy_per_atom": -5.1084078139,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -510.84078139,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:26.758000Z",
"spacegroup": 1
},
{
"id": "mp-1067880",
"created_at": "2022-09-04T14:40:09.003521Z",
"structure_string": "Ga4\n1.0\n2.338073 -3.916018 0.000000\n2.338073 3.916018 0.000000\n0.000000 0.000000 4.608197\nGa\n4\ndirect\n0.335333 0.011562 0.250000 Ga\n0.988438 0.664667 0.750000 Ga\n0.664667 0.988438 0.750000 Ga\n0.011562 0.335333 0.250000 Ga\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Ga"
],
"chemical_system": "Ga",
"density": 5.488091905338511,
"density_atomic": 0.04740195053165599,
"volume": 84.38471318450743,
"volume_molar": 12.70441551973329,
"formula_full": "Ga4",
"formula_reduced": "Ga",
"formula_anonymous": "A",
"energy": -12.09309103,
"energy_per_atom": -3.0232727575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.09309103,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.8e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.008000Z",
"spacegroup": 63
},
{
"id": "mp-7245",
"created_at": "2022-09-04T14:45:52.698538Z",
"structure_string": "P2\n1.0\n-1.713534 1.861032 2.520878\n1.713534 -1.861032 2.520878\n1.713534 1.861032 -2.520878\nP\n2\ndirect\n0.199318 0.750000 0.449318 P\n0.800682 0.250000 0.550682 P\n",
"nsites": 2,
"nelements": 1,
"elements": [
"P"
],
"chemical_system": "P",
"density": 3.1990031202063465,
"density_atomic": 0.06219731102802216,
"volume": 32.15573096237114,
"volume_molar": 9.682316904804464,
"formula_full": "P2",
"formula_reduced": "P",
"formula_anonymous": "A",
"energy": -10.63957907,
"energy_per_atom": -5.319789535,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.63957907,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008682,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:10.853000Z",
"spacegroup": 74
},
{
"id": "mp-608100",
"created_at": "2022-09-04T14:48:05.415828Z",
"structure_string": "S18\n1.0\n7.749494 -13.422517 0.000000\n7.749494 13.422517 0.000000\n0.000000 0.000000 5.313591\nS\n18\ndirect\n0.300350 0.721961 0.755989 S\n0.214683 0.333834 0.363012 S\n0.119151 0.785317 0.363012 S\n0.666166 0.880849 0.363012 S\n0.136365 0.387405 0.238913 S\n0.278039 0.578389 0.755989 S\n0.582492 0.063303 0.317744 S\n0.421611 0.699650 0.755989 S\n0.555330 0.490263 0.025253 S\n0.936697 0.519189 0.317744 S\n0.251039 0.863635 0.238913 S\n0.509737 0.065067 0.025253 S\n0.480811 0.417508 0.317744 S\n0.934933 0.444670 0.025253 S\n0.612595 0.748961 0.238913 S\n0.857895 0.583306 0.313089 S\n0.416694 0.274588 0.313089 S\n0.725412 0.142105 0.313089 S\n",
"nsites": 18,
"nelements": 1,
"elements": [
"S"
],
"chemical_system": "S",
"density": 0.8670166136820837,
"density_atomic": 0.016283474475772393,
"volume": 1105.4151880657635,
"volume_molar": 36.98314367096611,
"formula_full": "S18",
"formula_reduced": "S",
"formula_anonymous": "A",
"energy": -66.53352461,
"energy_per_atom": -3.6963069227777776,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -66.53352461,
"band_gap": 0.3093999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9960928,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:27.773000Z",
"spacegroup": 143
},
{
"id": "mp-77",
"created_at": "2022-09-04T14:47:16.241433Z",
"structure_string": "S32\n1.0\n0.000000 7.386536 12.734745\n6.162454 0.000000 12.734745\n6.162454 7.386536 0.000000\nS\n32\ndirect\n0.882423 0.778053 0.754439 S\n0.585086 0.754439 0.778053 S\n0.754439 0.585086 0.882423 S\n0.778053 0.882423 0.585086 S\n0.367577 0.471947 0.495561 S\n0.664914 0.495561 0.471947 S\n0.495561 0.664914 0.367577 S\n0.471947 0.367577 0.664914 S\n0.831616 0.929846 0.857015 S\n0.381523 0.857015 0.929846 S\n0.857015 0.381523 0.831616 S\n0.929846 0.831616 0.381523 S\n0.418384 0.320154 0.392985 S\n0.868477 0.392985 0.320154 S\n0.392985 0.868477 0.418384 S\n0.320154 0.418384 0.868477 S\n0.005493 0.899019 0.766425 S\n0.329063 0.766425 0.899019 S\n0.766425 0.329063 0.005493 S\n0.899019 0.005493 0.329063 S\n0.244507 0.350981 0.483575 S\n0.920937 0.483575 0.350981 S\n0.483575 0.920937 0.244507 S\n0.350981 0.244507 0.920937 S\n0.953077 0.052861 0.601396 S\n0.392665 0.601396 0.052861 S\n0.601396 0.392665 0.953077 S\n0.052861 0.953077 0.392665 S\n0.296923 0.197139 0.648604 S\n0.857335 0.648604 0.197139 S\n0.648604 0.857335 0.296923 S\n0.197139 0.296923 0.857335 S\n",
"nsites": 32,
"nelements": 1,
"elements": [
"S"
],
"chemical_system": "S",
"density": 1.469655559945604,
"density_atomic": 0.02760166116877462,
"volume": 1159.350511707649,
"volume_molar": 21.81803741150466,
"formula_full": "S32",
"formula_reduced": "S",
"formula_anonymous": "A",
"energy": -132.33418461,
"energy_per_atom": -4.1354432690625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -132.33418461,
"band_gap": 2.7125,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:02.997000Z",
"spacegroup": 70
},
{
"id": "mp-16220",
"created_at": "2022-09-04T14:46:54.472582Z",
"structure_string": "Si34\n1.0\n0.000000 7.369534 7.369534\n7.369534 0.000000 7.369534\n7.369534 7.369534 0.000000\nSi\n34\ndirect\n0.500000 0.500000 0.500000 Si\n0.750000 0.750000 0.750000 Si\n0.389692 0.389692 0.389692 Si\n0.419076 0.860308 0.860308 Si\n0.860308 0.419076 0.860308 Si\n0.860308 0.860308 0.419076 Si\n0.389692 0.830924 0.389692 Si\n0.389692 0.389692 0.830924 Si\n0.830924 0.389692 0.389692 Si\n0.860308 0.860308 0.860308 Si\n0.364402 0.752891 0.752891 Si\n0.120183 0.497109 0.885598 Si\n0.497109 0.120183 0.497109 Si\n0.497109 0.497109 0.120183 Si\n0.120183 0.885598 0.497109 Si\n0.497109 0.885598 0.120183 Si\n0.497109 0.120183 0.885598 Si\n0.752891 0.364402 0.752891 Si\n0.752891 0.752891 0.364402 Si\n0.364402 0.129817 0.752891 Si\n0.364402 0.752891 0.129817 Si\n0.752891 0.129817 0.752891 Si\n0.129817 0.364402 0.752891 Si\n0.129817 0.752891 0.364402 Si\n0.752891 0.752891 0.129817 Si\n0.885598 0.120183 0.497109 Si\n0.885598 0.497109 0.120183 Si\n0.120183 0.497109 0.497109 Si\n0.885598 0.497109 0.497109 Si\n0.497109 0.885598 0.497109 Si\n0.497109 0.497109 0.885598 Si\n0.752891 0.364402 0.129817 Si\n0.752891 0.129817 0.364402 Si\n0.129817 0.752891 0.752891 Si\n",
"nsites": 34,
"nelements": 1,
"elements": [
"Si"
],
"chemical_system": "Si",
"density": 1.9808888079043778,
"density_atomic": 0.04247455532296465,
"volume": 800.4792455500358,
"volume_molar": 14.178231447532115,
"formula_full": "Si34",
"formula_reduced": "Si",
"formula_anonymous": "A",
"energy": -172.91942929,
"energy_per_atom": -5.085865567352942,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -172.91942929,
"band_gap": 0.4828000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007221,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:40.690000Z",
"spacegroup": 227
},
{
"id": "mp-1009460",
"created_at": "2022-09-04T14:42:17.080322Z",
"structure_string": "Hf3\n1.0\n2.501815 -4.333271 0.000000\n2.501815 4.333271 0.000000\n0.000000 0.000000 3.087349\nHf\n3\ndirect\n0.666667 0.333333 0.500000 Hf\n0.333333 0.666667 0.500000 Hf\n0.000000 0.000000 0.000000 Hf\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Hf"
],
"chemical_system": "Hf",
"density": 13.283039920168068,
"density_atomic": 0.0448161444045016,
"volume": 66.94016274409054,
"volume_molar": 13.437436084740705,
"formula_full": "Hf3",
"formula_reduced": "Hf",
"formula_anonymous": "A",
"energy": -29.736056940000005,
"energy_per_atom": -9.912018980000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.736056940000005,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008725,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:35.910000Z",
"spacegroup": 191
},
{
"id": "mp-13",
"created_at": "2022-09-04T14:39:29.027124Z",
"structure_string": "Fe1\n1.0\n2.318956 0.000185 -0.819712\n-1.159251 2.008215 -0.819524\n0.000025 0.000273 2.459206\nFe\n1\ndirect\n0.000000 0.000000 0.000000 Fe\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Fe"
],
"chemical_system": "Fe",
"density": 8.096264696014796,
"density_atomic": 0.08730745034733464,
"volume": 11.453776235839058,
"volume_molar": 6.897625272576577,
"formula_full": "Fe1",
"formula_reduced": "Fe",
"formula_anonymous": "A",
"energy": -8.47000845,
"energy_per_atom": -8.47000845,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.47000845,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.1850741,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:25.624000Z",
"spacegroup": 229
},
{
"id": "mp-91",
"created_at": "2022-09-04T14:43:55.560345Z",
"structure_string": "W1\n1.0\n-1.593707 1.593707 1.593707\n1.593707 -1.593707 1.593707\n1.593707 1.593707 -1.593707\nW\n1\ndirect\n0.000000 0.000000 0.000000 W\n",
"nsites": 1,
"nelements": 1,
"elements": [
"W"
],
"chemical_system": "W",
"density": 18.854007561757314,
"density_atomic": 0.06176103539286579,
"volume": 16.191438398643058,
"volume_molar": 9.750712114349747,
"formula_full": "W1",
"formula_reduced": "W",
"formula_anonymous": "A",
"energy": -12.95812647,
"energy_per_atom": -12.95812647,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.95812647,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004241,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:25.617000Z",
"spacegroup": 229
},
{
"id": "mp-1096861",
"created_at": "2022-09-04T14:47:04.860892Z",
"structure_string": "Cd1\n1.0\n0.000000 2.265485 2.265485\n2.265485 0.000000 2.265485\n2.265485 2.265485 0.000000\nCd\n1\ndirect\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Cd"
],
"chemical_system": "Cd",
"density": 8.026835080186322,
"density_atomic": 0.04300177983194949,
"volume": 23.25485140168592,
"volume_molar": 14.004398849383591,
"formula_full": "Cd1",
"formula_reduced": "Cd",
"formula_anonymous": "A",
"energy": -0.92288976,
"energy_per_atom": -0.92288976,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.92288976,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004163,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:56.791000Z",
"spacegroup": 225
}
]
}