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=10383",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=chemical_system&page=10381",
"results": [
{
"id": "mp-1100448",
"created_at": "2022-09-04T14:39:27.096499Z",
"structure_string": "Mg6 Si8\n1.0\n4.736364 0.000000 0.000000\n-0.716628 7.107417 0.000000\n-0.231522 -2.515355 7.749701\nMg Si\n6 8\ndirect\n0.154824 0.937139 0.569574 Mg\n0.661562 0.613346 0.599681 Mg\n0.647019 0.596799 0.980664 Mg\n0.245292 0.222839 0.949434 Mg\n0.753876 0.290336 0.206656 Mg\n0.159003 0.918651 0.186747 Mg\n0.121108 0.452361 0.725828 Si\n0.729615 0.218929 0.775098 Si\n0.674789 0.791537 0.339066 Si\n0.294565 0.513559 0.255728 Si\n0.217399 0.804272 0.843164 Si\n0.220605 0.292293 0.432644 Si\n0.636621 0.136726 0.471263 Si\n0.737013 0.957661 0.911079 Si\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.358369800810399,
"density_atomic": 0.05366439290642195,
"volume": 260.88061826046743,
"volume_molar": 11.22185574800258,
"formula_full": "Mg6 Si8",
"formula_reduced": "Mg3Si4",
"formula_anonymous": "A3B4",
"energy": -50.79885575,
"energy_per_atom": -3.6284896964285713,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -51.36685575,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002421,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:31.547000Z",
"spacegroup": 1
},
{
"id": "mp-1073877",
"created_at": "2022-09-04T14:39:27.443000Z",
"structure_string": "Mg12 Si10\n1.0\n5.030160 0.000000 0.000000\n-0.768000 -5.924648 0.000000\n-2.282017 0.117383 -13.818671\nMg Si\n12 10\ndirect\n0.172355 0.837142 0.009861 Mg\n0.750032 0.881481 0.487854 Mg\n0.166812 0.370202 0.361679 Mg\n0.927570 0.184198 0.653454 Mg\n0.070090 0.455270 0.829341 Mg\n0.743262 0.897070 0.144563 Mg\n0.183027 0.868949 0.363366 Mg\n0.250884 0.602821 0.575312 Mg\n0.624674 0.635522 0.923544 Mg\n0.729653 0.398985 0.150526 Mg\n0.163263 0.336962 0.034888 Mg\n0.597073 0.135099 0.920098 Mg\n0.332722 0.085280 0.552740 Si\n0.654992 0.396907 0.489532 Si\n0.284722 0.073986 0.194894 Si\n0.449571 0.922722 0.735103 Si\n0.805621 0.677012 0.674430 Si\n0.669942 0.615823 0.321890 Si\n0.271950 0.647182 0.194936 Si\n0.498085 0.365010 0.735545 Si\n0.007532 0.928460 0.818034 Si\n0.649600 0.187587 0.332001 Si\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.308475862680589,
"density_atomic": 0.053421004689910574,
"volume": 411.82302968096474,
"volume_molar": 11.272982967947396,
"formula_full": "Mg12 Si10",
"formula_reduced": "Mg6Si5",
"formula_anonymous": "A5B6",
"energy": -70.00668002,
"energy_per_atom": -3.1821218190909093,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.71668002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012577,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.268000Z",
"spacegroup": 1
},
{
"id": "mp-1074276",
"created_at": "2022-09-04T14:39:33.255411Z",
"structure_string": "Mg8 Si6\n1.0\n5.858768 0.000000 0.000000\n-1.797210 7.037506 0.000000\n-1.317178 -3.354963 6.569608\nMg Si\n8 6\ndirect\n0.184727 0.453384 0.321650 Mg\n0.904641 0.981433 0.162929 Mg\n0.352937 0.234990 0.656649 Mg\n0.067153 0.528887 0.928438 Mg\n0.630333 0.529654 0.146113 Mg\n0.149281 0.805461 0.684487 Mg\n0.695460 0.941992 0.546036 Mg\n0.449118 0.087061 0.200947 Mg\n0.506412 0.688872 0.832232 Si\n0.898323 0.314153 0.517238 Si\n0.696135 0.150393 0.928866 Si\n0.179791 0.821950 0.330533 Si\n0.655540 0.539864 0.547471 Si\n0.130051 0.171847 0.946252 Si\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.2250252940707282,
"density_atomic": 0.05168487856036131,
"volume": 270.8722626415731,
"volume_molar": 11.651649240051734,
"formula_full": "Mg8 Si6",
"formula_reduced": "Mg4Si3",
"formula_anonymous": "A3B4",
"energy": -44.83143575,
"energy_per_atom": -3.2022454107142857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.25743575,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011476,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.150000Z",
"spacegroup": 1
},
{
"id": "mp-568306",
"created_at": "2022-09-04T14:39:32.259837Z",
"structure_string": "Mg5 Si6\n1.0\n2.007498 7.677390 0.000000\n-2.007498 7.677390 0.000000\n0.000000 2.471158 6.505956\nMg Si\n5 6\ndirect\n0.422913 0.422913 0.371245 Mg\n0.000000 0.000000 0.000000 Mg\n0.577087 0.577087 0.628755 Mg\n0.343654 0.343654 0.935687 Mg\n0.656346 0.656346 0.064313 Mg\n0.807588 0.807588 0.258705 Si\n0.057821 0.057821 0.330470 Si\n0.192412 0.192412 0.741295 Si\n0.793409 0.793409 0.630103 Si\n0.206591 0.206591 0.369897 Si\n0.942179 0.942179 0.669530 Si\n",
"nsites": 11,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.401563961202021,
"density_atomic": 0.05485078453805939,
"volume": 200.5440777673365,
"volume_molar": 10.979133317266244,
"formula_full": "Mg5 Si6",
"formula_reduced": "Mg5Si6",
"formula_anonymous": "A5B6",
"energy": -39.83165335,
"energy_per_atom": -3.621059395454546,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.25765335,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002858,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:43.274000Z",
"spacegroup": 12
},
{
"id": "mp-1072992",
"created_at": "2022-09-04T14:47:41.738637Z",
"structure_string": "Mg4 Si6\n1.0\n-2.982195 0.000000 0.000000\n-0.085389 -7.852441 0.000000\n0.458088 2.785940 7.573725\nMg Si\n4 6\ndirect\n0.974843 0.200952 0.003869 Mg\n0.025157 0.799048 0.996131 Mg\n0.121943 0.195485 0.592000 Mg\n0.878057 0.804515 0.408000 Mg\n0.280380 0.583676 0.619962 Si\n0.719620 0.416324 0.380038 Si\n0.381837 0.919383 0.731046 Si\n0.618163 0.080617 0.268954 Si\n0.599903 0.464488 0.843446 Si\n0.400097 0.535512 0.156554 Si\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.4879653999803915,
"density_atomic": 0.05638320362871522,
"volume": 177.35778310594492,
"volume_molar": 10.680735347455503,
"formula_full": "Mg4 Si6",
"formula_reduced": "Mg2Si3",
"formula_anonymous": "A2B3",
"energy": -36.73789087,
"energy_per_atom": -3.6737890870000003,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.16389087,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001381,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:20.135000Z",
"spacegroup": 2
},
{
"id": "mp-1073484",
"created_at": "2022-09-04T14:47:40.588375Z",
"structure_string": "Mg4 Si8\n1.0\n3.602963 0.000000 0.000000\n0.000000 6.932986 0.000000\n0.000000 2.025198 8.776268\nMg Si\n4 8\ndirect\n0.750000 0.453234 0.858845 Mg\n0.250000 0.546766 0.141155 Mg\n0.750000 0.740375 0.360817 Mg\n0.250000 0.259625 0.639183 Mg\n0.250000 0.972727 0.147321 Si\n0.250000 0.791693 0.865501 Si\n0.750000 0.913633 0.601370 Si\n0.750000 0.344020 0.369226 Si\n0.750000 0.027273 0.852679 Si\n0.750000 0.208307 0.134499 Si\n0.250000 0.086367 0.398630 Si\n0.250000 0.655980 0.630774 Si\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.438290623251259,
"density_atomic": 0.054738292231528374,
"volume": 219.224961371524,
"volume_molar": 11.001696462374,
"formula_full": "Mg4 Si8",
"formula_reduced": "MgSi2",
"formula_anonymous": "AB2",
"energy": -47.038251210000006,
"energy_per_atom": -3.9198542675000003,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.60625121,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0043889,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:14.403000Z",
"spacegroup": 11
},
{
"id": "mp-1074192",
"created_at": "2022-09-04T14:47:43.656660Z",
"structure_string": "Mg8 Si14\n1.0\n1.981764 14.399263 0.000000\n-1.981764 14.399263 0.000000\n0.000000 0.501919 6.843265\nMg Si\n8 14\ndirect\n0.207757 0.207757 0.562578 Mg\n0.421360 0.421360 0.198188 Mg\n0.998446 0.998446 0.335132 Mg\n0.842619 0.842619 0.041490 Mg\n0.251628 0.251628 0.081196 Mg\n0.626717 0.626717 0.613795 Mg\n0.959671 0.959671 0.873609 Mg\n0.881954 0.881954 0.527659 Mg\n0.690949 0.690949 0.280708 Si\n0.688532 0.688532 0.918261 Si\n0.125168 0.125168 0.291241 Si\n0.137017 0.137017 0.930361 Si\n0.393097 0.393097 0.832416 Si\n0.451655 0.451655 0.565201 Si\n0.570253 0.570253 0.286955 Si\n0.766454 0.766454 0.742851 Si\n0.327178 0.327178 0.348240 Si\n0.056610 0.056610 0.822580 Si\n0.516612 0.516612 0.036103 Si\n0.772035 0.772035 0.375233 Si\n0.317114 0.317114 0.713550 Si\n0.533044 0.533044 0.622625 Si\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.4984615926358154,
"density_atomic": 0.05632965977110662,
"volume": 390.5580131212605,
"volume_molar": 10.690887863464354,
"formula_full": "Mg8 Si14",
"formula_reduced": "Mg4Si7",
"formula_anonymous": "A4B7",
"energy": -84.91652047,
"energy_per_atom": -3.8598418395454543,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -85.91052047,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013138,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:19.398000Z",
"spacegroup": 8
},
{
"id": "mp-1074110",
"created_at": "2022-09-04T14:47:33.429570Z",
"structure_string": "Mg8 Si14\n1.0\n3.902216 0.000000 0.000000\n0.000000 6.479840 0.000000\n0.000000 2.587315 15.319531\nMg Si\n8 14\ndirect\n0.000000 0.937864 0.903612 Mg\n0.000000 0.392014 0.503896 Mg\n0.500000 0.285251 0.349090 Mg\n0.500000 0.521879 0.655626 Mg\n0.000000 0.449784 0.844436 Mg\n0.500000 0.730500 0.192334 Mg\n0.500000 0.744109 0.418222 Mg\n0.500000 0.050669 0.580691 Mg\n0.500000 0.205858 0.973069 Si\n0.500000 0.587784 0.975113 Si\n0.000000 0.668285 0.060474 Si\n0.000000 0.402980 0.192921 Si\n0.000000 0.760919 0.555462 Si\n0.000000 0.039855 0.434672 Si\n0.500000 0.156421 0.177008 Si\n0.500000 0.762747 0.809876 Si\n0.000000 0.202152 0.695835 Si\n0.000000 0.049453 0.071327 Si\n0.000000 0.588894 0.317767 Si\n0.500000 0.172358 0.803753 Si\n0.000000 0.821866 0.707555 Si\n0.000000 0.972020 0.280839 Si\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.5190522336580146,
"density_atomic": 0.056793890963080185,
"volume": 387.36560617587315,
"volume_molar": 10.603500936244696,
"formula_full": "Mg8 Si14",
"formula_reduced": "Mg4Si7",
"formula_anonymous": "A4B7",
"energy": -85.04231248,
"energy_per_atom": -3.8655596581818186,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -86.03631248,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009847,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:15.713000Z",
"spacegroup": 6
},
{
"id": "mp-1073361",
"created_at": "2022-09-04T14:47:28.613685Z",
"structure_string": "Mg4 Si8\n1.0\n1.854573 5.643688 0.000000\n-1.854573 5.643688 0.000000\n0.000000 0.013146 10.373499\nMg Si\n4 8\ndirect\n0.000000 0.000000 0.500000 Mg\n0.162894 0.162894 0.784054 Mg\n0.500000 0.500000 0.000000 Mg\n0.837106 0.837106 0.215946 Mg\n0.494239 0.494239 0.714060 Si\n0.288863 0.288863 0.439018 Si\n0.141335 0.141335 0.266142 Si\n0.808629 0.808629 0.957415 Si\n0.711137 0.711137 0.560982 Si\n0.858665 0.858665 0.733858 Si\n0.191371 0.191371 0.042585 Si\n0.505761 0.505761 0.285940 Si\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.4615761547823083,
"density_atomic": 0.055261039691391664,
"volume": 217.15118041597958,
"volume_molar": 10.897624788876538,
"formula_full": "Mg4 Si8",
"formula_reduced": "MgSi2",
"formula_anonymous": "AB2",
"energy": -47.79125727,
"energy_per_atom": -3.9826047725000002,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.35925727,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0170988,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:10.681000Z",
"spacegroup": 12
},
{
"id": "mp-1075589",
"created_at": "2022-09-04T14:47:29.670321Z",
"structure_string": "Mg10 Si12\n1.0\n5.269239 0.000000 0.000000\n-0.086395 5.408723 0.000000\n-1.059360 -0.510680 13.899749\nMg Si\n10 12\ndirect\n0.888153 0.804156 0.000620 Mg\n0.173627 0.410187 0.546848 Mg\n0.576940 0.705172 0.660706 Mg\n0.021652 0.555661 0.333583 Mg\n0.407083 0.962871 0.105452 Mg\n0.075622 0.558501 0.763185 Mg\n0.870810 0.020059 0.433699 Mg\n0.943244 0.031428 0.216927 Mg\n0.252119 0.369370 0.961834 Mg\n0.839893 0.060638 0.816542 Mg\n0.762062 0.281503 0.013085 Si\n0.075181 0.507787 0.139267 Si\n0.680473 0.508413 0.466763 Si\n0.059732 0.908099 0.629898 Si\n0.342768 0.864621 0.903221 Si\n0.583417 0.498113 0.173492 Si\n0.482572 0.853545 0.309395 Si\n0.666007 0.204901 0.599754 Si\n0.633443 0.538546 0.851875 Si\n0.367386 0.914697 0.490734 Si\n0.464010 0.299224 0.322650 Si\n0.333806 0.135247 0.756840 Si\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.4315566892426523,
"density_atomic": 0.055535806752767286,
"volume": 396.14081952458116,
"volume_molar": 10.843708072539926,
"formula_full": "Mg10 Si12",
"formula_reduced": "Mg5Si6",
"formula_anonymous": "A5B6",
"energy": -77.20180805999999,
"energy_per_atom": -3.509173093636363,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -78.05380806,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008935,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:12.251000Z",
"spacegroup": 1
},
{
"id": "mp-1074145",
"created_at": "2022-09-04T14:39:10.028087Z",
"structure_string": "Mg8 Si14\n1.0\n4.020225 0.000000 0.000000\n-0.015067 7.128301 0.000000\n-1.896302 -1.243906 14.271761\nMg Si\n8 14\ndirect\n0.013305 0.068712 0.919109 Mg\n0.817957 0.313471 0.511213 Mg\n0.236261 0.124356 0.360635 Mg\n0.393359 0.515182 0.654773 Mg\n0.970610 0.562314 0.831281 Mg\n0.160020 0.590676 0.214787 Mg\n0.287756 0.613642 0.425620 Mg\n0.348536 0.016030 0.580834 Mg\n0.526398 0.415411 0.955433 Si\n0.530431 0.759407 0.960994 Si\n0.077772 0.801319 0.055430 Si\n0.069505 0.391528 0.045634 Si\n0.855045 0.699093 0.561371 Si\n0.779611 0.929611 0.449552 Si\n0.654950 0.136403 0.219747 Si\n0.457883 0.857458 0.802296 Si\n0.909597 0.235727 0.701926 Si\n0.106352 0.115969 0.125911 Si\n0.743659 0.411642 0.326456 Si\n0.458098 0.230106 0.806620 Si\n0.915499 0.887290 0.706539 Si\n0.683648 0.828351 0.287427 Si\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.385856265173219,
"density_atomic": 0.05379088959225814,
"volume": 408.99119101325203,
"volume_molar": 11.195466008553867,
"formula_full": "Mg8 Si14",
"formula_reduced": "Mg4Si7",
"formula_anonymous": "A4B7",
"energy": -85.46495641,
"energy_per_atom": -3.884770745909091,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -86.45895641,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002355,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.845000Z",
"spacegroup": 1
},
{
"id": "mp-1075131",
"created_at": "2022-09-04T14:39:15.151383Z",
"structure_string": "Mg6 Si8\n1.0\n-5.444967 0.000000 0.000000\n2.469619 6.526452 0.000000\n-0.980926 -3.226276 -7.104701\nMg Si\n6 8\ndirect\n0.215571 0.347838 0.975420 Mg\n0.784429 0.652162 0.024580 Mg\n0.783919 0.037505 0.396634 Mg\n0.864009 0.475331 0.322066 Mg\n0.135991 0.524669 0.677934 Mg\n0.216081 0.962495 0.603366 Mg\n0.726454 0.027467 0.030263 Si\n0.306058 0.214613 0.330001 Si\n0.739553 0.201124 0.789042 Si\n0.569350 0.389191 0.645233 Si\n0.260447 0.798876 0.210958 Si\n0.693942 0.785387 0.669999 Si\n0.273546 0.972533 0.969737 Si\n0.430650 0.610809 0.354767 Si\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.4368876913694626,
"density_atomic": 0.05545105712154933,
"volume": 252.47489816671745,
"volume_molar": 10.860281250904562,
"formula_full": "Mg6 Si8",
"formula_reduced": "Mg3Si4",
"formula_anonymous": "A3B4",
"energy": -50.41642093,
"energy_per_atom": -3.6011729235714287,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -50.98442093,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0085993,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:45.190000Z",
"spacegroup": 2
}
]
}