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=10191",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=chemical_system&page=10189",
"results": [
{
"id": "mp-1021344",
"created_at": "2022-09-04T14:39:19.248084Z",
"structure_string": "Mg12 Ti2 Nb2\n1.0\n5.027168 0.000000 0.000000\n0.000000 6.102788 0.000000\n0.000000 0.000000 10.908792\nMg Ti Nb\n12 2 2\ndirect\n0.500000 0.250835 0.418101 Mg\n0.500000 0.749165 0.418101 Mg\n0.000000 0.746972 0.089642 Mg\n0.000000 0.253028 0.089642 Mg\n0.000000 0.000000 0.326865 Mg\n0.000000 0.500000 0.324366 Mg\n0.500000 0.750835 0.918101 Mg\n0.500000 0.249165 0.918101 Mg\n0.000000 0.246972 0.589642 Mg\n0.000000 0.753028 0.589642 Mg\n0.000000 0.500000 0.826865 Mg\n0.000000 0.000000 0.824366 Mg\n0.500000 0.000000 0.166593 Ti\n0.500000 0.500000 0.666593 Ti\n0.500000 0.500000 0.166687 Nb\n0.500000 0.000000 0.666687 Nb\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Ti",
"Nb"
],
"chemical_system": "Mg-Nb-Ti",
"density": 2.8440161446159156,
"density_atomic": 0.04780701623967815,
"volume": 334.67890821265183,
"volume_molar": 12.596771841623184,
"formula_full": "Mg12 Ti2 Nb2",
"formula_reduced": "Mg6TiNb",
"formula_anonymous": "ABC6",
"energy": -51.4752861,
"energy_per_atom": -3.21720538125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -51.4752861,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.6258289,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:28.031000Z",
"spacegroup": 38
},
{
"id": "mp-1021352",
"created_at": "2022-09-04T14:39:32.423588Z",
"structure_string": "Mg12 Ti2 Nb2\n1.0\n4.863481 0.000000 0.000000\n0.000000 6.094816 0.000000\n0.000000 0.000000 11.228815\nMg Ti Nb\n12 2 2\ndirect\n0.000000 0.257975 0.074703 Mg\n0.000000 0.742025 0.074703 Mg\n0.000000 0.000000 0.326463 Mg\n0.500000 0.743357 0.426506 Mg\n0.500000 0.256643 0.426506 Mg\n0.500000 0.000000 0.172739 Mg\n0.000000 0.757975 0.574703 Mg\n0.000000 0.242025 0.574703 Mg\n0.000000 0.500000 0.826463 Mg\n0.500000 0.243357 0.926506 Mg\n0.500000 0.756643 0.926506 Mg\n0.500000 0.500000 0.672739 Mg\n0.000000 0.500000 0.299154 Ti\n0.000000 0.000000 0.799154 Ti\n0.500000 0.500000 0.199224 Nb\n0.500000 0.000000 0.699224 Nb\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Ti",
"Nb"
],
"chemical_system": "Mg-Nb-Ti",
"density": 2.8596879919867337,
"density_atomic": 0.04807045506128289,
"volume": 332.84477918093995,
"volume_molar": 12.527738196617111,
"formula_full": "Mg12 Ti2 Nb2",
"formula_reduced": "Mg6TiNb",
"formula_anonymous": "ABC6",
"energy": -52.76931384,
"energy_per_atom": -3.298082115,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -52.76931384,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.02e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:31.196000Z",
"spacegroup": 38
},
{
"id": "mp-1026444",
"created_at": "2022-09-04T14:40:35.576980Z",
"structure_string": "Mg14 Ti1 Nb1\n1.0\n6.354335 0.104833 0.000000\n-3.086379 5.345765 0.000000\n0.000000 0.000000 10.101402\nMg Ti Nb\n14 1 1\ndirect\n0.166658 0.333329 0.625000 Mg\n0.165883 0.832941 0.625000 Mg\n0.662707 0.331547 0.125000 Mg\n0.665018 0.332757 0.625000 Mg\n0.662707 0.831159 0.125000 Mg\n0.665018 0.832260 0.625000 Mg\n0.329271 0.162485 0.367073 Mg\n0.329271 0.162485 0.882927 Mg\n0.329271 0.666787 0.367073 Mg\n0.329271 0.666787 0.882927 Mg\n0.840818 0.170409 0.370755 Mg\n0.840818 0.170409 0.879245 Mg\n0.843176 0.671589 0.368932 Mg\n0.843176 0.671589 0.881068 Mg\n0.165255 0.332627 0.125000 Ti\n0.161682 0.830841 0.125000 Nb\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Ti",
"Nb"
],
"chemical_system": "Mg-Nb-Ti",
"density": 2.3059751056721085,
"density_atomic": 0.04618928689620409,
"volume": 346.4006715660056,
"volume_molar": 13.037960022056346,
"formula_full": "Mg14 Ti1 Nb1",
"formula_reduced": "Mg14TiNb",
"formula_anonymous": "ABC14",
"energy": -38.79155734,
"energy_per_atom": -2.42447233375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.79155734,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.2925066,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:07.655000Z",
"spacegroup": 38
},
{
"id": "mp-1021699",
"created_at": "2022-09-04T14:47:18.684102Z",
"structure_string": "Mg12 Nb2 V2\n1.0\n4.836409 0.000000 0.000000\n0.000000 6.083068 0.000000\n0.000000 0.000000 11.080139\nMg Nb V\n12 2 2\ndirect\n0.000000 0.739858 0.079944 Mg\n0.000000 0.260142 0.079944 Mg\n0.000000 0.000000 0.329430 Mg\n0.500000 0.258632 0.422764 Mg\n0.500000 0.741368 0.422764 Mg\n0.500000 0.000000 0.167577 Mg\n0.000000 0.239858 0.579944 Mg\n0.000000 0.760142 0.579944 Mg\n0.000000 0.500000 0.829430 Mg\n0.500000 0.758632 0.922764 Mg\n0.500000 0.241368 0.922764 Mg\n0.500000 0.500000 0.667577 Mg\n0.500000 0.500000 0.189688 Nb\n0.500000 0.000000 0.689688 Nb\n0.000000 0.500000 0.307889 V\n0.000000 0.000000 0.807889 V\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Nb",
"V"
],
"chemical_system": "Mg-Nb-V",
"density": 2.9512331873031,
"density_atomic": 0.049082772010523114,
"volume": 325.9799588452273,
"volume_molar": 12.269357481906038,
"formula_full": "Mg12 Nb2 V2",
"formula_reduced": "Mg6NbV",
"formula_anonymous": "ABC6",
"energy": -54.03598275,
"energy_per_atom": -3.377248921875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -54.03598275,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9150537,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:03.891000Z",
"spacegroup": 38
},
{
"id": "mp-1021688",
"created_at": "2022-09-04T14:48:09.044340Z",
"structure_string": "Mg12 Nb2 V2\n1.0\n5.006610 0.000000 0.000000\n0.000000 6.018649 0.000000\n0.000000 0.000000 10.879116\nMg Nb V\n12 2 2\ndirect\n0.500000 0.251868 0.418806 Mg\n0.500000 0.748132 0.418806 Mg\n0.000000 0.748511 0.088847 Mg\n0.000000 0.251489 0.088847 Mg\n0.000000 0.000000 0.324887 Mg\n0.000000 0.500000 0.324285 Mg\n0.500000 0.751868 0.918806 Mg\n0.500000 0.248132 0.918806 Mg\n0.000000 0.248511 0.588847 Mg\n0.000000 0.751489 0.588847 Mg\n0.000000 0.500000 0.824887 Mg\n0.000000 0.000000 0.824285 Mg\n0.500000 0.500000 0.168151 Nb\n0.500000 0.000000 0.668151 Nb\n0.500000 0.000000 0.167367 V\n0.500000 0.500000 0.667367 V\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Nb",
"V"
],
"chemical_system": "Mg-Nb-V",
"density": 2.9346616722297703,
"density_atomic": 0.048807166578965715,
"volume": 327.82070997941264,
"volume_molar": 12.33864037211975,
"formula_full": "Mg12 Nb2 V2",
"formula_reduced": "Mg6NbV",
"formula_anonymous": "ABC6",
"energy": -53.01203648,
"energy_per_atom": -3.31325228,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -53.01203648,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.3403062,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:25.770000Z",
"spacegroup": 38
},
{
"id": "mp-1028293",
"created_at": "2022-09-04T14:43:01.058579Z",
"structure_string": "Mg14 Nb1 V1\n1.0\n6.313410 0.000000 0.000000\n-3.156705 5.467573 -0.000000\n0.000000 -0.000000 10.042322\nMg Nb V\n14 1 1\ndirect\n0.168347 0.834173 0.125000 Mg\n0.170320 0.835160 0.625000 Mg\n0.665827 0.331653 0.125000 Mg\n0.664840 0.329680 0.625000 Mg\n0.665827 0.834173 0.125000 Mg\n0.664840 0.835160 0.625000 Mg\n0.327836 0.172164 0.375831 Mg\n0.327836 0.172164 0.874169 Mg\n0.327836 0.655672 0.375831 Mg\n0.327836 0.655672 0.874169 Mg\n0.844328 0.172164 0.375831 Mg\n0.844328 0.172164 0.874169 Mg\n0.833333 0.666667 0.376457 Mg\n0.833333 0.666667 0.873543 Mg\n0.166667 0.333333 0.625000 Nb\n0.166667 0.333333 0.125000 V\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Nb",
"V"
],
"chemical_system": "Mg-Nb-V",
"density": 2.319036016486081,
"density_atomic": 0.04615590342952029,
"volume": 346.6512149292425,
"volume_molar": 13.047390068305697,
"formula_full": "Mg14 Nb1 V1",
"formula_reduced": "Mg14NbV",
"formula_anonymous": "ABC14",
"energy": -39.03320066,
"energy_per_atom": -2.43957504125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.03320066,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9394115,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:06.385000Z",
"spacegroup": 187
},
{
"id": "mp-1028304",
"created_at": "2022-09-04T14:44:08.072756Z",
"structure_string": "Mg14 Nb1 V1\n1.0\n6.334889 0.084856 0.000000\n-3.093957 5.358891 0.000000\n0.000000 0.000000 10.082727\nMg Nb V\n14 1 1\ndirect\n0.166963 0.333481 0.625000 Mg\n0.166754 0.833376 0.625000 Mg\n0.663413 0.333955 0.125000 Mg\n0.664659 0.332193 0.625000 Mg\n0.663413 0.829457 0.125000 Mg\n0.664659 0.832465 0.625000 Mg\n0.328095 0.162486 0.365457 Mg\n0.328095 0.162486 0.884543 Mg\n0.328095 0.665611 0.365457 Mg\n0.328095 0.665611 0.884543 Mg\n0.842303 0.171152 0.368776 Mg\n0.842303 0.171152 0.881224 Mg\n0.843900 0.671951 0.370593 Mg\n0.843900 0.671951 0.879407 Mg\n0.160276 0.830138 0.125000 Nb\n0.165076 0.332538 0.125000 V\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Nb",
"V"
],
"chemical_system": "Mg-Nb-V",
"density": 2.330572032437716,
"density_atomic": 0.046385505399666446,
"volume": 344.93533835927667,
"volume_molar": 12.982807254361198,
"formula_full": "Mg14 Nb1 V1",
"formula_reduced": "Mg14NbV",
"formula_anonymous": "ABC14",
"energy": -39.44950459,
"energy_per_atom": -2.465594036875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.44950459,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.392082,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:35.343000Z",
"spacegroup": 38
},
{
"id": "mp-1026515",
"created_at": "2022-09-04T14:40:07.299571Z",
"structure_string": "Mg14 Nb1 W1\n1.0\n6.271388 -0.000000 0.000000\n-3.135694 5.431180 0.000000\n0.000000 0.000000 9.917701\nMg Nb W\n14 1 1\ndirect\n0.170619 0.835309 0.125000 Mg\n0.167926 0.833963 0.625000 Mg\n0.664691 0.329381 0.125000 Mg\n0.666037 0.332074 0.625000 Mg\n0.664691 0.835309 0.125000 Mg\n0.666037 0.833963 0.625000 Mg\n0.324921 0.175079 0.378660 Mg\n0.324921 0.175079 0.871340 Mg\n0.324921 0.649844 0.378660 Mg\n0.324921 0.649844 0.871340 Mg\n0.850156 0.175079 0.378660 Mg\n0.850156 0.175079 0.871340 Mg\n0.833333 0.666667 0.373307 Mg\n0.833333 0.666667 0.876693 Mg\n0.166667 0.333333 0.125000 Nb\n0.166667 0.333333 0.625000 W\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Nb",
"W"
],
"chemical_system": "Mg-Nb-W",
"density": 3.0330314447702675,
"density_atomic": 0.04736429796881523,
"volume": 337.80718148793085,
"volume_molar": 12.714514979119912,
"formula_full": "Mg14 Nb1 W1",
"formula_reduced": "Mg14NbW",
"formula_anonymous": "ABC14",
"energy": -41.68262914,
"energy_per_atom": -2.60516432125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.68262914,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.5979187,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:46.474000Z",
"spacegroup": 187
},
{
"id": "mp-1026531",
"created_at": "2022-09-04T14:39:07.528696Z",
"structure_string": "Mg14 Nb1 W1\n1.0\n6.307828 0.136677 0.000000\n-3.035548 5.257724 0.000000\n0.000000 0.000000 10.063746\nMg Nb W\n14 1 1\ndirect\n0.166658 0.333329 0.625000 Mg\n0.165147 0.832573 0.625000 Mg\n0.661023 0.329087 0.125000 Mg\n0.663400 0.332526 0.625000 Mg\n0.661023 0.831935 0.125000 Mg\n0.663400 0.830873 0.625000 Mg\n0.327571 0.161468 0.363836 Mg\n0.327571 0.161468 0.886164 Mg\n0.327571 0.666104 0.363836 Mg\n0.327571 0.666104 0.886164 Mg\n0.847045 0.173523 0.371714 Mg\n0.847045 0.173523 0.878286 Mg\n0.850533 0.675267 0.364982 Mg\n0.850533 0.675267 0.885018 Mg\n0.156535 0.328267 0.125000 Nb\n0.157375 0.828687 0.125000 W\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Nb",
"W"
],
"chemical_system": "Mg-Nb-W",
"density": 3.031860432248217,
"density_atomic": 0.04734601125236353,
"volume": 337.93765465726057,
"volume_molar": 12.71942577781433,
"formula_full": "Mg14 Nb1 W1",
"formula_reduced": "Mg14NbW",
"formula_anonymous": "ABC14",
"energy": -42.67924032,
"energy_per_atom": -2.66745252,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.67924032,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007744,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.157000Z",
"spacegroup": 38
},
{
"id": "mp-1016587",
"created_at": "2022-09-04T14:40:26.646638Z",
"structure_string": "Mg12 Nb2 W2\n1.0\n4.987744 0.000000 0.000000\n0.000000 5.738248 0.000000\n0.000000 0.000000 11.030112\nMg Nb W\n12 2 2\ndirect\n0.500000 0.249768 0.423080 Mg\n0.500000 0.750232 0.423080 Mg\n0.000000 0.746374 0.086306 Mg\n0.000000 0.253626 0.086306 Mg\n0.000000 0.000000 0.320534 Mg\n0.000000 0.500000 0.315639 Mg\n0.500000 0.749768 0.923080 Mg\n0.500000 0.250232 0.923080 Mg\n0.000000 0.246374 0.586306 Mg\n0.000000 0.753626 0.586306 Mg\n0.000000 0.500000 0.820534 Mg\n0.000000 0.000000 0.815639 Mg\n0.500000 0.000000 0.172651 Nb\n0.500000 0.500000 0.672651 Nb\n0.500000 0.500000 0.172400 W\n0.500000 0.000000 0.672400 W\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Nb",
"W"
],
"chemical_system": "Mg-Nb-W",
"density": 4.445503130293289,
"density_atomic": 0.050682332238064884,
"volume": 315.69186526075504,
"volume_molar": 11.882130308670131,
"formula_full": "Mg12 Nb2 W2",
"formula_reduced": "Mg6NbW",
"formula_anonymous": "ABC6",
"energy": -59.61763507,
"energy_per_atom": -3.726102191875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -59.61763507,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0053947,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:57.613000Z",
"spacegroup": 38
},
{
"id": "mp-1016580",
"created_at": "2022-09-04T14:41:35.884643Z",
"structure_string": "Mg12 Nb2 W2\n1.0\n4.808886 0.000000 0.000000\n0.000000 6.041485 0.000000\n0.000000 0.000000 10.947745\nMg Nb W\n12 2 2\ndirect\n0.000000 0.259588 0.076447 Mg\n0.000000 0.740412 0.076447 Mg\n0.000000 0.000000 0.331972 Mg\n0.500000 0.742787 0.423569 Mg\n0.500000 0.257213 0.423569 Mg\n0.500000 0.000000 0.169450 Mg\n0.000000 0.759588 0.576447 Mg\n0.000000 0.240412 0.576447 Mg\n0.000000 0.500000 0.831972 Mg\n0.500000 0.242787 0.923569 Mg\n0.500000 0.757213 0.923569 Mg\n0.500000 0.500000 0.669450 Mg\n0.000000 0.500000 0.309922 Nb\n0.000000 0.000000 0.809922 Nb\n0.500000 0.500000 0.188625 W\n0.500000 0.000000 0.688625 W\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Nb",
"W"
],
"chemical_system": "Mg-Nb-W",
"density": 4.412365245598671,
"density_atomic": 0.05030453354294879,
"volume": 318.06278426853095,
"volume_molar": 11.971367858641296,
"formula_full": "Mg12 Nb2 W2",
"formula_reduced": "Mg6NbW",
"formula_anonymous": "ABC6",
"energy": -60.96254221,
"energy_per_atom": -3.810158888125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -60.96254221,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0106006,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:29.729000Z",
"spacegroup": 38
},
{
"id": "mp-1028029",
"created_at": "2022-09-04T14:46:12.764224Z",
"structure_string": "Y1 Mg14 Nb1\n1.0\n6.468309 0.071322 0.000000\n-3.172387 5.494735 0.000000\n0.000000 0.000000 10.291354\nY Mg Nb\n1 14 1\ndirect\n0.164108 0.332054 0.125000 Y\n0.166599 0.333299 0.625000 Mg\n0.164426 0.832213 0.625000 Mg\n0.662166 0.328025 0.125000 Mg\n0.665565 0.334345 0.625000 Mg\n0.662166 0.834140 0.125000 Mg\n0.665565 0.831219 0.625000 Mg\n0.333092 0.158284 0.376172 Mg\n0.333092 0.158284 0.873828 Mg\n0.333092 0.674809 0.376172 Mg\n0.333092 0.674809 0.873828 Mg\n0.830790 0.165395 0.380616 Mg\n0.830790 0.165395 0.869384 Mg\n0.842573 0.671287 0.367015 Mg\n0.842573 0.671287 0.882985 Mg\n0.170310 0.835154 0.125000 Nb\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Y",
"Mg",
"Nb"
],
"chemical_system": "Mg-Nb-Y",
"density": 2.3551685337058017,
"density_atomic": 0.043466429197256656,
"volume": 368.100170533673,
"volume_molar": 13.854694004586145,
"formula_full": "Y1 Mg14 Nb1",
"formula_reduced": "YMg14Nb",
"formula_anonymous": "ABC14",
"energy": -37.81371522,
"energy_per_atom": -2.36335720125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.81371522,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.271842,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:19.372000Z",
"spacegroup": 38
}
]
}