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=chemical_system&page=10178",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=chemical_system&page=10176",
"results": [
{
"id": "mp-1103351",
"created_at": "2022-09-04T14:45:28.655738Z",
"structure_string": "Na4 Mg1 Si2 Se6\n1.0\n5.972365 3.874068 0.000000\n-5.972365 3.874068 0.000000\n0.000000 2.041830 6.804608\nNa Mg Si Se\n4 1 2 6\ndirect\n0.511878 0.488122 0.500000 Na\n0.358319 0.641681 0.000000 Na\n0.682355 0.317645 0.000000 Na\n0.046387 0.953613 0.000000 Na\n0.872238 0.127762 0.500000 Mg\n0.354797 0.960462 0.445667 Si\n0.039538 0.645203 0.554333 Si\n0.260698 0.197541 0.269387 Se\n0.802459 0.739302 0.730613 Se\n0.471770 0.058306 0.715001 Se\n0.941694 0.528230 0.284999 Se\n0.619555 0.918529 0.254662 Se\n0.081471 0.380445 0.745338 Se\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Na",
"Mg",
"Si",
"Se"
],
"chemical_system": "Mg-Na-Se-Si",
"density": 3.407736879675942,
"density_atomic": 0.04128541591388891,
"volume": 314.8811683795256,
"volume_molar": 14.586605528113571,
"formula_full": "Na4 Mg1 Si2 Se6",
"formula_reduced": "Na4Mg(SiSe3)2",
"formula_anonymous": "AB2C4D6",
"energy": -53.97274875,
"energy_per_atom": -4.151749903846154,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -51.14074875,
"band_gap": 2.7632000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008424,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:00.844000Z",
"spacegroup": 5
},
{
"id": "mp-1021166",
"created_at": "2022-09-04T14:39:27.601377Z",
"structure_string": "Na2 Mg12 Si2\n1.0\n5.043741 0.000000 0.000000\n0.000000 6.375303 0.000000\n0.000000 0.000000 11.009891\nNa Mg Si\n2 12 2\ndirect\n0.500000 0.500000 0.170197 Na\n0.500000 0.000000 0.670197 Na\n0.000000 0.245445 0.082178 Mg\n0.000000 0.754555 0.082178 Mg\n0.000000 0.500000 0.832498 Mg\n0.500000 0.241933 0.914620 Mg\n0.500000 0.758067 0.914620 Mg\n0.500000 0.500000 0.665002 Mg\n0.000000 0.745445 0.582178 Mg\n0.000000 0.254555 0.582178 Mg\n0.000000 0.000000 0.332498 Mg\n0.500000 0.741933 0.414620 Mg\n0.500000 0.258067 0.414620 Mg\n0.500000 0.000000 0.165002 Mg\n0.000000 0.500000 0.338706 Si\n0.000000 0.000000 0.838706 Si\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Na",
"Mg",
"Si"
],
"chemical_system": "Mg-Na-Si",
"density": 1.8471399632550116,
"density_atomic": 0.04519426791029768,
"volume": 354.0271972489312,
"volume_molar": 13.325010091883428,
"formula_full": "Na2 Mg12 Si2",
"formula_reduced": "NaMg6Si",
"formula_anonymous": "ABC6",
"energy": -31.04804183,
"energy_per_atom": -1.940502614375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.19004183,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0041387,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:37.718000Z",
"spacegroup": 38
},
{
"id": "mp-1026703",
"created_at": "2022-09-04T14:46:08.234344Z",
"structure_string": "Na1 Mg14 Si1\n1.0\n6.302650 0.000000 -0.000000\n-3.151325 5.458255 0.000000\n-0.000000 0.000000 10.477988\nNa Mg Si\n1 14 1\ndirect\n0.166667 0.333333 0.625000 Na\n0.163204 0.831602 0.125000 Mg\n0.170974 0.835487 0.625000 Mg\n0.668398 0.336796 0.125000 Mg\n0.664513 0.329026 0.625000 Mg\n0.668398 0.831602 0.125000 Mg\n0.664513 0.835487 0.625000 Mg\n0.332409 0.167591 0.368141 Mg\n0.332409 0.167591 0.881859 Mg\n0.332409 0.664820 0.368141 Mg\n0.332409 0.664820 0.881859 Mg\n0.835180 0.167591 0.368141 Mg\n0.835180 0.167591 0.881859 Mg\n0.833333 0.666667 0.379044 Mg\n0.833333 0.666667 0.870956 Mg\n0.166667 0.333333 0.125000 Si\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Na",
"Mg",
"Si"
],
"chemical_system": "Mg-Na-Si",
"density": 1.8028279282815265,
"density_atomic": 0.04438794857092621,
"volume": 360.458199018458,
"volume_molar": 13.567062578657799,
"formula_full": "Na1 Mg14 Si1",
"formula_reduced": "NaMg14Si",
"formula_anonymous": "ABC14",
"energy": -28.2258981,
"energy_per_atom": -1.76411863125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.2968981,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:22.181000Z",
"spacegroup": 187
},
{
"id": "mp-1021165",
"created_at": "2022-09-04T14:39:11.741171Z",
"structure_string": "Na2 Mg12 Si2\n1.0\n5.019197 0.000000 0.000000\n0.000000 6.338554 0.000000\n0.000000 0.000000 11.115409\nNa Mg Si\n2 12 2\ndirect\n0.500000 0.500000 0.166921 Na\n0.500000 0.000000 0.666921 Na\n0.500000 0.251526 0.416517 Mg\n0.500000 0.748474 0.416517 Mg\n0.000000 0.755357 0.084482 Mg\n0.000000 0.244643 0.084482 Mg\n0.000000 0.000000 0.331568 Mg\n0.000000 0.500000 0.334935 Mg\n0.500000 0.751526 0.916517 Mg\n0.500000 0.248474 0.916517 Mg\n0.000000 0.255357 0.584482 Mg\n0.000000 0.744643 0.584482 Mg\n0.000000 0.500000 0.831568 Mg\n0.000000 0.000000 0.834935 Mg\n0.500000 0.000000 0.164575 Si\n0.500000 0.500000 0.664575 Si\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Na",
"Mg",
"Si"
],
"chemical_system": "Mg-Na-Si",
"density": 1.8492113377496633,
"density_atomic": 0.04524494856023007,
"volume": 353.6306374334983,
"volume_molar": 13.310084222956576,
"formula_full": "Na2 Mg12 Si2",
"formula_reduced": "NaMg6Si",
"formula_anonymous": "ABC6",
"energy": -31.02383115,
"energy_per_atom": -1.938989446875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.16583115,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0043836,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.105000Z",
"spacegroup": 38
},
{
"id": "mp-1026712",
"created_at": "2022-09-04T14:46:13.294361Z",
"structure_string": "Na1 Mg14 Si1\n1.0\n6.326066 -0.007713 0.000000\n-3.169712 5.490102 0.000000\n0.000000 0.000000 10.447570\nNa Mg Si\n1 14 1\ndirect\n0.166286 0.833143 0.125000 Na\n0.166557 0.333278 0.625000 Mg\n0.167272 0.833635 0.625000 Mg\n0.667287 0.335461 0.125000 Mg\n0.666357 0.332457 0.625000 Mg\n0.667287 0.831825 0.125000 Mg\n0.666357 0.833899 0.625000 Mg\n0.332184 0.169586 0.373761 Mg\n0.332184 0.169586 0.876239 Mg\n0.332184 0.662599 0.373761 Mg\n0.332184 0.662599 0.876239 Mg\n0.835815 0.167908 0.371060 Mg\n0.835815 0.167908 0.878940 Mg\n0.831000 0.665500 0.378900 Mg\n0.831000 0.665500 0.871100 Mg\n0.170232 0.335115 0.125000 Si\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Na",
"Mg",
"Si"
],
"chemical_system": "Mg-Na-Si",
"density": 1.7921963334326072,
"density_atomic": 0.04412618499494779,
"volume": 362.5964946172418,
"volume_molar": 13.647544560422576,
"formula_full": "Na1 Mg14 Si1",
"formula_reduced": "NaMg14Si",
"formula_anonymous": "ABC14",
"energy": -28.46150383,
"energy_per_atom": -1.778843989375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.53250383,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0038761,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:27.665000Z",
"spacegroup": 38
},
{
"id": "mp-1028260",
"created_at": "2022-09-04T14:48:17.227016Z",
"structure_string": "Na1 Mg14 Sn1\n1.0\n6.368529 -0.000000 -0.000000\n-3.184264 5.515307 0.000000\n0.000000 -0.000000 10.673322\nNa Mg Sn\n1 14 1\ndirect\n0.166667 0.333333 0.625000 Na\n0.165375 0.832687 0.125000 Mg\n0.168996 0.834498 0.625000 Mg\n0.667313 0.334625 0.125000 Mg\n0.665502 0.331004 0.625000 Mg\n0.667313 0.832687 0.125000 Mg\n0.665502 0.834498 0.625000 Mg\n0.334704 0.165296 0.374549 Mg\n0.334704 0.165296 0.875451 Mg\n0.334704 0.669408 0.374549 Mg\n0.334704 0.669408 0.875451 Mg\n0.830592 0.165296 0.374549 Mg\n0.830592 0.165296 0.875451 Mg\n0.833333 0.666667 0.377282 Mg\n0.833333 0.666667 0.872718 Mg\n0.166667 0.333333 0.125000 Sn\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Na",
"Mg",
"Sn"
],
"chemical_system": "Mg-Na-Sn",
"density": 2.1348160634777407,
"density_atomic": 0.04267873598668331,
"volume": 374.8939519903389,
"volume_molar": 14.110400930990645,
"formula_full": "Na1 Mg14 Sn1",
"formula_reduced": "NaMg14Sn",
"formula_anonymous": "ABC14",
"energy": -27.69662,
"energy_per_atom": -1.73103875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.69662,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.1e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:58.937000Z",
"spacegroup": 187
},
{
"id": "mp-865625",
"created_at": "2022-09-04T14:44:48.550292Z",
"structure_string": "Na4 Mg2 Sn2\n1.0\n2.541310 -4.401678 0.000000\n2.541310 4.401678 0.000000\n0.000000 0.000000 10.070585\nNa Mg Sn\n4 2 2\ndirect\n0.666667 0.333333 0.079652 Na\n0.666667 0.333333 0.420348 Na\n0.333333 0.666667 0.579652 Na\n0.333333 0.666667 0.920348 Na\n0.000000 0.000000 0.250000 Mg\n0.000000 0.000000 0.750000 Mg\n0.333333 0.666667 0.250000 Sn\n0.666667 0.333333 0.750000 Sn\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Na",
"Mg",
"Sn"
],
"chemical_system": "Mg-Na-Sn",
"density": 2.7859142064096303,
"density_atomic": 0.035508258873319945,
"volume": 225.2996979812775,
"volume_molar": 16.95983118035926,
"formula_full": "Na4 Mg2 Sn2",
"formula_reduced": "Na2MgSn",
"formula_anonymous": "ABC2",
"energy": -18.11332386,
"energy_per_atom": -2.2641654825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.11332386,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002252,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:41.129000Z",
"spacegroup": 194
},
{
"id": "mp-1028273",
"created_at": "2022-09-04T14:44:22.829539Z",
"structure_string": "Na1 Mg14 Sn1\n1.0\n6.414061 0.019394 0.000000\n-3.190235 5.525649 0.000000\n0.000000 0.000000 10.540556\nNa Mg Sn\n1 14 1\ndirect\n0.166383 0.833191 0.125000 Na\n0.166507 0.333253 0.625000 Mg\n0.166769 0.833384 0.625000 Mg\n0.667220 0.335242 0.125000 Mg\n0.666751 0.332895 0.625000 Mg\n0.667220 0.831977 0.125000 Mg\n0.666751 0.833855 0.625000 Mg\n0.334404 0.168625 0.378428 Mg\n0.334404 0.168625 0.871572 Mg\n0.334404 0.665780 0.378428 Mg\n0.334404 0.665780 0.871572 Mg\n0.832398 0.166200 0.375040 Mg\n0.832398 0.166200 0.874960 Mg\n0.830307 0.665154 0.379420 Mg\n0.830307 0.665154 0.870580 Mg\n0.169372 0.334685 0.125000 Sn\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Na",
"Mg",
"Sn"
],
"chemical_system": "Mg-Na-Sn",
"density": 2.138609551443315,
"density_atomic": 0.0427545744976076,
"volume": 374.22896118157615,
"volume_molar": 14.085371754400173,
"formula_full": "Na1 Mg14 Sn1",
"formula_reduced": "NaMg14Sn",
"formula_anonymous": "ABC14",
"energy": -27.98495554,
"energy_per_atom": -1.74905972125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.98495554,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.75e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:36.421000Z",
"spacegroup": 38
},
{
"id": "mp-1021408",
"created_at": "2022-09-04T14:43:37.551749Z",
"structure_string": "Na2 Mg12 Sn2\n1.0\n5.166892 0.000000 0.000000\n0.000000 6.467183 0.000000\n0.000000 0.000000 11.392657\nNa Mg Sn\n2 12 2\ndirect\n0.500000 0.500000 0.166992 Na\n0.500000 0.000000 0.666992 Na\n0.500000 0.251603 0.416349 Mg\n0.500000 0.748397 0.416349 Mg\n0.000000 0.749088 0.081812 Mg\n0.000000 0.250912 0.081812 Mg\n0.000000 0.000000 0.335751 Mg\n0.000000 0.500000 0.335165 Mg\n0.500000 0.751603 0.916349 Mg\n0.500000 0.248397 0.916349 Mg\n0.000000 0.249088 0.581812 Mg\n0.000000 0.750912 0.581812 Mg\n0.000000 0.500000 0.835751 Mg\n0.000000 0.000000 0.835165 Mg\n0.500000 0.000000 0.165767 Sn\n0.500000 0.500000 0.665767 Sn\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Na",
"Mg",
"Sn"
],
"chemical_system": "Mg-Na-Sn",
"density": 2.508374358761359,
"density_atomic": 0.0420291325250449,
"volume": 380.6883235209696,
"volume_molar": 14.328491687073113,
"formula_full": "Na2 Mg12 Sn2",
"formula_reduced": "NaMg6Sn",
"formula_anonymous": "ABC6",
"energy": -30.01776059,
"energy_per_atom": -1.876110036875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.01776059,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0026405,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:18.115000Z",
"spacegroup": 38
},
{
"id": "mp-1021414",
"created_at": "2022-09-04T14:39:30.411822Z",
"structure_string": "Na2 Mg12 Sn2\n1.0\n5.193910 0.000000 0.000000\n0.000000 6.522534 0.000000\n0.000000 0.000000 11.237674\nNa Mg Sn\n2 12 2\ndirect\n0.500000 0.500000 0.166594 Na\n0.500000 0.000000 0.666594 Na\n0.000000 0.246245 0.082956 Mg\n0.000000 0.753755 0.082956 Mg\n0.000000 0.500000 0.832686 Mg\n0.500000 0.250105 0.917515 Mg\n0.500000 0.749895 0.917515 Mg\n0.500000 0.500000 0.665441 Mg\n0.000000 0.746245 0.582956 Mg\n0.000000 0.253755 0.582956 Mg\n0.000000 0.000000 0.332686 Mg\n0.500000 0.750105 0.417515 Mg\n0.500000 0.249895 0.417515 Mg\n0.500000 0.000000 0.165441 Mg\n0.000000 0.500000 0.334338 Sn\n0.000000 0.000000 0.834338 Sn\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Na",
"Mg",
"Sn"
],
"chemical_system": "Mg-Na-Sn",
"density": 2.5082724509673735,
"density_atomic": 0.04202742500632315,
"volume": 380.70379038432054,
"volume_molar": 14.329073834749455,
"formula_full": "Na2 Mg12 Sn2",
"formula_reduced": "NaMg6Sn",
"formula_anonymous": "ABC6",
"energy": -30.0377064,
"energy_per_atom": -1.87735665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.0377064,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0022832,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.440000Z",
"spacegroup": 38
},
{
"id": "mp-1026674",
"created_at": "2022-09-04T14:42:43.333084Z",
"structure_string": "Na1 Sr1 Mg14\n1.0\n6.666898 0.000000 -0.000000\n-3.333449 5.773703 0.000000\n-0.000000 0.000000 10.516620\nNa Sr Mg\n1 1 14\ndirect\n0.166667 0.333333 0.125000 Na\n0.166667 0.333333 0.625000 Sr\n0.168992 0.834496 0.125000 Mg\n0.173521 0.836760 0.625000 Mg\n0.665504 0.331008 0.125000 Mg\n0.663240 0.326479 0.625000 Mg\n0.665504 0.834496 0.125000 Mg\n0.663240 0.836760 0.625000 Mg\n0.338414 0.161586 0.369632 Mg\n0.338414 0.161586 0.880368 Mg\n0.338414 0.676829 0.369632 Mg\n0.338414 0.676829 0.880368 Mg\n0.823171 0.161586 0.369632 Mg\n0.823171 0.161586 0.880368 Mg\n0.833333 0.666667 0.377649 Mg\n0.833333 0.666667 0.872351 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Na",
"Sr",
"Mg"
],
"chemical_system": "Mg-Na-Sr",
"density": 1.8495045935082763,
"density_atomic": 0.03952442406545216,
"volume": 404.81298281548936,
"volume_molar": 15.236504774939615,
"formula_full": "Na1 Sr1 Mg14",
"formula_reduced": "NaSrMg14",
"formula_anonymous": "ABC14",
"energy": -24.43436934,
"energy_per_atom": -1.52714808375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.43436934,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.4e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:59.428000Z",
"spacegroup": 187
},
{
"id": "mp-1017360",
"created_at": "2022-09-04T14:47:09.160493Z",
"structure_string": "Na2 Sr2 Mg12\n1.0\n5.406916 0.000000 0.000000\n0.000000 6.848417 0.000000\n0.000000 0.000000 11.967873\nNa Sr Mg\n2 2 12\ndirect\n0.000000 0.500000 0.339606 Na\n0.000000 0.000000 0.839606 Na\n0.500000 0.500000 0.166146 Sr\n0.500000 0.000000 0.666146 Sr\n0.000000 0.239702 0.079537 Mg\n0.000000 0.760298 0.079537 Mg\n0.000000 0.000000 0.332446 Mg\n0.500000 0.749802 0.419690 Mg\n0.500000 0.250198 0.419690 Mg\n0.500000 0.000000 0.163348 Mg\n0.000000 0.739702 0.579537 Mg\n0.000000 0.260298 0.579537 Mg\n0.000000 0.500000 0.832446 Mg\n0.500000 0.249802 0.919690 Mg\n0.500000 0.750198 0.919690 Mg\n0.500000 0.500000 0.663348 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Na",
"Sr",
"Mg"
],
"chemical_system": "Mg-Na-Sr",
"density": 1.921797744956882,
"density_atomic": 0.03610465434086019,
"volume": 443.15616066963855,
"volume_molar": 16.67967986383587,
"formula_full": "Na2 Sr2 Mg12",
"formula_reduced": "NaSrMg6",
"formula_anonymous": "ABC6",
"energy": -23.74730807,
"energy_per_atom": -1.484206754375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.74730807,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0068732,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:56.618000Z",
"spacegroup": 38
}
]
}