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=3",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_anonymous",
"results": [
{
"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
},
{
"id": "mp-1007976",
"created_at": "2022-09-04T14:43:52.654815Z",
"structure_string": "Cs4\n1.0\n5.443964 0.000000 0.000000\n0.000000 8.237741 0.000000\n0.000000 0.000000 10.367185\nCs\n4\ndirect\n0.839231 0.750000 0.868113 Cs\n0.660769 0.750000 0.368113 Cs\n0.160769 0.250000 0.131887 Cs\n0.339231 0.250000 0.631887 Cs\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Cs"
],
"chemical_system": "Cs",
"density": 1.8987494400804725,
"density_atomic": 0.008603511922664267,
"volume": 464.92642027528126,
"volume_molar": 69.99630864851655,
"formula_full": "Cs4",
"formula_reduced": "Cs",
"formula_anonymous": "A",
"energy": -3.36194312,
"energy_per_atom": -0.84048578,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.36194312,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0342039,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:28.015000Z",
"spacegroup": 62
},
{
"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
},
{
"id": "mp-1244953",
"created_at": "2022-09-04T14:43:56.394719Z",
"structure_string": "Al100\n1.0\n12.106513 0.494046 -0.459812\n0.544770 12.218123 -1.062068\n-0.451342 -1.023008 12.082797\nAl\n100\ndirect\n0.986556 0.861433 0.443099 Al\n0.415822 0.060273 0.381748 Al\n0.521757 0.567268 0.589619 Al\n0.482303 0.850464 0.863552 Al\n0.852739 0.262358 0.893032 Al\n0.647683 0.888319 0.034838 Al\n0.043582 0.406454 0.416519 Al\n0.410264 0.010921 0.590315 Al\n0.827346 0.479051 0.350504 Al\n0.096583 0.054982 0.059058 Al\n0.272913 0.156882 0.915707 Al\n0.629226 0.761210 0.210375 Al\n0.635559 0.665467 0.939902 Al\n0.267565 0.410793 0.469199 Al\n0.019329 0.810477 0.844109 Al\n0.510639 0.558401 0.118968 Al\n0.167795 0.533495 0.305202 Al\n0.333194 0.430597 0.705401 Al\n0.890096 0.163085 0.098405 Al\n0.971583 0.361519 0.178469 Al\n0.422122 0.790766 0.624481 Al\n0.556634 0.358293 0.666518 Al\n0.298933 0.937533 0.996576 Al\n0.371787 0.415439 0.216933 Al\n0.225711 0.145163 0.673952 Al\n0.816510 0.490029 0.961858 Al\n0.885753 0.930977 0.052962 Al\n0.204505 0.194233 0.443279 Al\n0.923666 0.276985 0.516573 Al\n0.435429 0.622841 0.809482 Al\n0.288639 0.612568 0.608117 Al\n0.452133 0.765250 0.059864 Al\n0.834307 0.076945 0.413400 Al\n0.088004 0.728716 0.632081 Al\n0.251297 0.695562 0.962884 Al\n0.840959 0.857028 0.256115 Al\n0.360006 0.189054 0.123783 Al\n0.625587 0.229555 0.834411 Al\n0.730743 0.551180 0.164680 Al\n0.793092 0.257877 0.292454 Al\n0.226571 0.952524 0.406396 Al\n0.477808 0.323140 0.018281 Al\n0.611311 0.125736 0.582318 Al\n0.152553 0.447526 0.076477 Al\n0.594705 0.957632 0.719461 Al\n0.091614 0.831243 0.061833 Al\n0.295429 0.620842 0.166710 Al\n0.379508 0.593925 0.397719 Al\n0.791352 0.714352 0.384787 Al\n0.121224 0.354832 0.627681 Al\n0.975977 0.950536 0.665847 Al\n0.599142 0.184135 0.367621 Al\n0.957642 0.531407 0.620418 Al\n0.714241 0.328447 0.056586 Al\n0.862130 0.755051 0.630139 Al\n0.641818 0.726297 0.729270 Al\n0.065929 0.250264 0.977637 Al\n0.483921 0.385528 0.426861 Al\n0.281357 0.843969 0.198488 Al\n0.209181 0.916258 0.615882 Al\n0.031843 0.968710 0.259595 Al\n0.582746 0.178448 0.137404 Al\n0.036164 0.612857 0.978709 Al\n0.941502 0.045637 0.886646 Al\n0.341390 0.486320 0.947418 Al\n0.781772 0.076325 0.733024 Al\n0.436470 0.809991 0.370064 Al\n0.471861 0.986517 0.166246 Al\n0.208472 0.741476 0.445341 Al\n0.266013 0.794171 0.786068 Al\n0.781626 0.282603 0.677653 Al\n0.966290 0.421835 0.805298 Al\n0.714500 0.502936 0.741209 Al\n0.786539 0.877510 0.838150 Al\n0.953250 0.578672 0.184795 Al\n0.490218 0.075962 0.923755 Al\n0.624006 0.953977 0.363889 Al\n0.828191 0.716871 0.056857 Al\n0.997417 0.630077 0.432048 Al\n0.189107 0.347875 0.845439 Al\n0.239675 0.069989 0.231978 Al\n0.087727 0.742465 0.249500 Al\n0.408198 0.240266 0.785912 Al\n0.144918 0.570961 0.775886 Al\n0.739560 0.587183 0.545942 Al\n0.774185 0.933505 0.538717 Al\n0.862771 0.651716 0.825793 Al\n0.149659 0.997324 0.824579 Al\n0.614326 0.792395 0.521934 Al\n0.605251 0.394080 0.247231 Al\n0.048981 0.075619 0.511800 Al\n0.005406 0.190463 0.725603 Al\n0.705792 0.368465 0.491267 Al\n0.739407 0.043623 0.202934 Al\n0.716932 0.081503 0.962727 Al\n0.594814 0.606139 0.357729 Al\n0.574734 0.455167 0.898083 Al\n0.015830 0.187595 0.305715 Al\n0.400825 0.236915 0.549554 Al\n0.190552 0.299002 0.246574 Al\n",
"nsites": 100,
"nelements": 1,
"elements": [
"Al"
],
"chemical_system": "Al",
"density": 2.532974814993734,
"density_atomic": 0.05653469621891266,
"volume": 1768.8252823148064,
"volume_molar": 10.652114829946504,
"formula_full": "Al100",
"formula_reduced": "Al",
"formula_anonymous": "A",
"energy": -364.98522018,
"energy_per_atom": -3.6498522018,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -364.98522018,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:28.662000Z",
"spacegroup": 1
},
{
"id": "mp-1271142",
"created_at": "2022-09-04T14:43:52.078851Z",
"structure_string": "Co4\n1.0\n-1.243085 2.154006 0.000089\n-0.000286 0.000165 8.126579\n2.486967 0.000460 -0.000089\nCo\n4\ndirect\n0.666705 0.630029 0.333295 Co\n0.333296 0.870179 0.666704 Co\n0.666705 0.129832 0.333295 Co\n0.333294 0.369960 0.666706 Co\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Co"
],
"chemical_system": "Co",
"density": 8.99079359563772,
"density_atomic": 0.09187322118841143,
"volume": 43.53825791953996,
"volume_molar": 6.55483794091636,
"formula_full": "Co4",
"formula_reduced": "Co",
"formula_anonymous": "A",
"energy": -28.39269147,
"energy_per_atom": -7.0981728675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.39269147,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.3527117,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:20.828000Z",
"spacegroup": 164
},
{
"id": "mp-558964",
"created_at": "2022-09-04T14:43:53.538135Z",
"structure_string": "S80\n1.0\n9.558458 0.000000 0.000000\n0.000000 14.211921 0.000000\n0.000000 0.000000 19.746201\nS\n80\ndirect\n0.288747 0.984872 0.451132 S\n0.633266 0.730613 0.757640 S\n0.768448 0.302648 0.448571 S\n0.231552 0.697352 0.551429 S\n0.536058 0.801230 0.679223 S\n0.074754 0.101647 0.927019 S\n0.211253 0.984872 0.548868 S\n0.788747 0.015128 0.451132 S\n0.574754 0.398353 0.572981 S\n0.711253 0.515128 0.951132 S\n0.731552 0.802648 0.948571 S\n0.866734 0.230613 0.257640 S\n0.805176 0.405458 0.899713 S\n0.665911 0.794123 0.595782 S\n0.866734 0.730613 0.242360 S\n0.329281 0.474632 0.406237 S\n0.170719 0.474632 0.593763 S\n0.829281 0.525368 0.406237 S\n0.919563 0.090059 0.251169 S\n0.694824 0.905458 0.399713 S\n0.731552 0.302648 0.551429 S\n0.268448 0.697352 0.448571 S\n0.633266 0.230613 0.742360 S\n0.574754 0.898353 0.927019 S\n0.732893 0.024066 0.805773 S\n0.463942 0.198770 0.320777 S\n0.036058 0.198770 0.679223 S\n0.768448 0.802648 0.051429 S\n0.767107 0.524066 0.305773 S\n0.711253 0.015128 0.548868 S\n0.829281 0.025368 0.093763 S\n0.788747 0.515128 0.048868 S\n0.694824 0.405458 0.100287 S\n0.536058 0.301230 0.820777 S\n0.211253 0.484872 0.951132 S\n0.305176 0.094542 0.600287 S\n0.334089 0.205877 0.404218 S\n0.580437 0.090059 0.748831 S\n0.665911 0.294123 0.904218 S\n0.334089 0.705877 0.095782 S\n0.963942 0.301230 0.179223 S\n0.805176 0.905458 0.600287 S\n0.732893 0.524066 0.694227 S\n0.268448 0.197352 0.051429 S\n0.074754 0.601647 0.572981 S\n0.133266 0.269387 0.757640 S\n0.925246 0.898353 0.072981 S\n0.963942 0.801230 0.320777 S\n0.080437 0.909941 0.748831 S\n0.288747 0.484872 0.048868 S\n0.231552 0.197352 0.948571 S\n0.305176 0.594542 0.899713 S\n0.329281 0.974632 0.093763 S\n0.366734 0.269387 0.242360 S\n0.670719 0.525368 0.593763 S\n0.165911 0.205877 0.595782 S\n0.267107 0.975934 0.194227 S\n0.194824 0.594542 0.100287 S\n0.670719 0.025368 0.906237 S\n0.165911 0.705877 0.904218 S\n0.425246 0.101647 0.072981 S\n0.267107 0.475934 0.305773 S\n0.767107 0.024066 0.194227 S\n0.232893 0.975934 0.805773 S\n0.834089 0.794123 0.404218 S\n0.419563 0.909941 0.251169 S\n0.232893 0.475934 0.694227 S\n0.834089 0.294123 0.095782 S\n0.036058 0.698770 0.820777 S\n0.925246 0.398353 0.427019 S\n0.463942 0.698770 0.179223 S\n0.080437 0.409941 0.751169 S\n0.170719 0.974632 0.906237 S\n0.366734 0.769387 0.257640 S\n0.425246 0.601647 0.427019 S\n0.419563 0.409941 0.248831 S\n0.194824 0.094542 0.399713 S\n0.133266 0.769387 0.742360 S\n0.580437 0.590059 0.751169 S\n0.919563 0.590059 0.248831 S\n",
"nsites": 80,
"nelements": 1,
"elements": [
"S"
],
"chemical_system": "S",
"density": 1.587984117158156,
"density_atomic": 0.029823994640497543,
"volume": 2682.40391551604,
"volume_molar": 20.192267443015925,
"formula_full": "S80",
"formula_reduced": "S",
"formula_anonymous": "A",
"energy": -329.78653417,
"energy_per_atom": -4.122331677125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -329.78653417,
"band_gap": 2.4879,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:12.096000Z",
"spacegroup": 60
},
{
"id": "mp-1180036",
"created_at": "2022-09-04T14:43:50.462061Z",
"structure_string": "O4\n1.0\n3.789457 0.000000 0.000000\n0.000000 3.117047 0.000000\n0.000000 1.244525 3.687930\nO\n4\ndirect\n0.305877 0.318705 0.332966 O\n0.305877 0.181295 0.667034 O\n0.694123 0.681295 0.667034 O\n0.694123 0.818705 0.332966 O\n",
"nsites": 4,
"nelements": 1,
"elements": [
"O"
],
"chemical_system": "O",
"density": 2.4395503263764504,
"density_atomic": 0.0918241650413136,
"volume": 43.56151780090041,
"volume_molar": 6.558339797906698,
"formula_full": "O4",
"formula_reduced": "O",
"formula_anonymous": "A",
"energy": -19.67194765,
"energy_per_atom": -4.9179869125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.67194765,
"band_gap": 0.4642999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003003,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:22.780000Z",
"spacegroup": 13
},
{
"id": "mp-33",
"created_at": "2022-09-04T14:43:53.649143Z",
"structure_string": "Ru2\n1.0\n1.366465 -2.366787 0.000000\n1.366465 2.366787 0.000000\n0.000000 0.000000 4.313923\nRu\n2\ndirect\n0.333333 0.666667 0.750000 Ru\n0.666667 0.333333 0.250000 Ru\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ru"
],
"chemical_system": "Ru",
"density": 12.029325778163212,
"density_atomic": 0.07167536668549511,
"volume": 27.903589370889655,
"volume_molar": 8.401967145036867,
"formula_full": "Ru2",
"formula_reduced": "Ru",
"formula_anonymous": "A",
"energy": -18.54877931,
"energy_per_atom": -9.274389655,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.54877931,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0019915,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:24.051000Z",
"spacegroup": 194
},
{
"id": "mp-8636",
"created_at": "2022-09-04T14:43:53.594815Z",
"structure_string": "Nb1\n1.0\n0.000000 2.115513 2.115513\n2.115513 0.000000 2.115513\n2.115513 2.115513 0.000000\nNb\n1\ndirect\n0.000000 0.000000 0.000000 Nb\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Nb"
],
"chemical_system": "Nb",
"density": 8.147371978526298,
"density_atomic": 0.05281081976901989,
"volume": 18.93551367643462,
"volume_molar": 11.403232872239439,
"formula_full": "Nb1",
"formula_reduced": "Nb",
"formula_anonymous": "A",
"energy": -9.78114088,
"energy_per_atom": -9.78114088,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.78114088,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007712,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:22.930000Z",
"spacegroup": 225
},
{
"id": "mp-1094057",
"created_at": "2022-09-04T14:43:56.431681Z",
"structure_string": "Si3\n1.0\n6.914641 -1.343114 0.000000\n6.914641 1.343114 0.000000\n6.653752 0.000000 2.311667\nSi\n3\ndirect\n0.000000 0.000000 0.000000 Si\n0.222404 0.222404 0.222404 Si\n0.777596 0.777596 0.777596 Si\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Si"
],
"chemical_system": "Si",
"density": 3.258477527325782,
"density_atomic": 0.06986883032039273,
"volume": 42.93760159205621,
"volume_molar": 8.619209356138755,
"formula_full": "Si3",
"formula_reduced": "Si",
"formula_anonymous": "A",
"energy": -14.7227049,
"energy_per_atom": -4.9075683,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.7227049,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006594,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:23.275000Z",
"spacegroup": 166
},
{
"id": "mp-1104795",
"created_at": "2022-09-04T14:43:53.494313Z",
"structure_string": "Sb14\n1.0\n8.392959 2.843163 -1.927046\n2.694852 10.404804 0.693580\n-1.110394 0.759876 6.399878\nSb\n14\ndirect\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.000000 Sb\n0.000000 0.500000 0.500000 Sb\n0.500000 0.000000 0.500000 Sb\n0.284067 0.542156 0.363733 Sb\n0.715933 0.457844 0.636267 Sb\n0.914738 0.775226 0.917330 Sb\n0.085262 0.224774 0.082670 Sb\n0.847196 0.169966 0.320305 Sb\n0.152804 0.830034 0.679695 Sb\n0.652991 0.677199 0.880534 Sb\n0.347009 0.322801 0.119466 Sb\n0.831888 0.835804 0.363046 Sb\n0.168112 0.164196 0.636953 Sb\n",
"nsites": 14,
"nelements": 1,
"elements": [
"Sb"
],
"chemical_system": "Sb",
"density": 5.933913660752748,
"density_atomic": 0.02934860654984325,
"volume": 477.0243512659981,
"volume_molar": 20.51934135193946,
"formula_full": "Sb14",
"formula_reduced": "Sb",
"formula_anonymous": "A",
"energy": -53.1338461,
"energy_per_atom": -3.7952747214285716,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -53.1338461,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0025543,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:16.690000Z",
"spacegroup": 2
},
{
"id": "mp-973111",
"created_at": "2022-09-04T14:44:22.099458Z",
"structure_string": "In2\n1.0\n1.711259 -2.963987 0.000000\n1.711259 2.963987 0.000000\n0.000000 0.000000 5.576016\nIn\n2\ndirect\n0.333333 0.666667 0.250000 In\n0.666667 0.333333 0.750000 In\n",
"nsites": 2,
"nelements": 1,
"elements": [
"In"
],
"chemical_system": "In",
"density": 6.741290216018945,
"density_atomic": 0.03535769530814537,
"volume": 56.564772748048966,
"volume_molar": 17.032051177308144,
"formula_full": "In2",
"formula_reduced": "In",
"formula_anonymous": "A",
"energy": -5.4079664,
"energy_per_atom": -2.7039832,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.4079664,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.64e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:27.865000Z",
"spacegroup": 194
}
]
}