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=-id&page=12105",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-id&page=12103",
"results": [
{
"id": "mp-1016588",
"created_at": "2022-09-04T14:40:32.858369Z",
"structure_string": "Mg12 Nb2 Sb2\n1.0\n5.271452 0.000000 0.000000\n0.000000 5.962062 0.000000\n0.000000 0.000000 10.966303\nMg Nb Sb\n12 2 2\ndirect\n0.500000 0.748138 0.917550 Mg\n0.500000 0.251862 0.917550 Mg\n0.000000 0.260534 0.582930 Mg\n0.000000 0.739466 0.582930 Mg\n0.000000 0.500000 0.826883 Mg\n0.000000 0.000000 0.835413 Mg\n0.500000 0.248138 0.417550 Mg\n0.500000 0.751862 0.417550 Mg\n0.000000 0.760534 0.082930 Mg\n0.000000 0.239466 0.082930 Mg\n0.000000 0.000000 0.326883 Mg\n0.000000 0.500000 0.335413 Mg\n0.500000 0.500000 0.668539 Nb\n0.500000 0.000000 0.168539 Nb\n0.500000 0.000000 0.668201 Sb\n0.500000 0.500000 0.168201 Sb\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Nb",
"Sb"
],
"chemical_system": "Mg-Nb-Sb",
"density": 3.4737056538254834,
"density_atomic": 0.04642297803572753,
"volume": 344.65690649329434,
"volume_molar": 12.972327530054853,
"formula_full": "Mg12 Nb2 Sb2",
"formula_reduced": "Mg6NbSb",
"formula_anonymous": "ABC6",
"energy": -46.88137015,
"energy_per_atom": -2.930085634375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.49737015,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0038915,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:05.149000Z",
"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-1016585",
"created_at": "2022-09-04T14:46:29.437212Z",
"structure_string": "Mg12 Nb2 B2\n1.0\n4.750263 0.000000 0.000000\n0.000000 5.628551 0.000000\n0.000000 0.000000 11.144387\nMg Nb B\n12 2 2\ndirect\n0.500000 0.249471 0.428705 Mg\n0.500000 0.750529 0.428705 Mg\n0.000000 0.752552 0.081314 Mg\n0.000000 0.247448 0.081314 Mg\n0.000000 0.000000 0.328707 Mg\n0.000000 0.500000 0.307889 Mg\n0.500000 0.749471 0.928705 Mg\n0.500000 0.250529 0.928705 Mg\n0.000000 0.252552 0.581314 Mg\n0.000000 0.747448 0.581314 Mg\n0.000000 0.500000 0.828707 Mg\n0.000000 0.000000 0.807889 Mg\n0.500000 0.000000 0.180493 Nb\n0.500000 0.500000 0.680493 Nb\n0.500000 0.500000 0.162868 B\n0.500000 0.000000 0.662868 B\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Nb",
"B"
],
"chemical_system": "B-Mg-Nb",
"density": 2.781388546804472,
"density_atomic": 0.05369693993307977,
"volume": 297.9685624532818,
"volume_molar": 11.215053907178213,
"formula_full": "Mg12 Nb2 B2",
"formula_reduced": "Mg6NbB",
"formula_anonymous": "ABC6",
"energy": -45.73644938,
"energy_per_atom": -2.85852808625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.73644938,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.3823486,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:39.860000Z",
"spacegroup": 38
},
{
"id": "mp-1016582",
"created_at": "2022-09-04T14:43:17.482848Z",
"structure_string": "Ba2 Mg12 Cd2\n1.0\n5.207802 0.000000 0.000000\n0.000000 6.911415 0.000000\n0.000000 0.000000 12.206868\nBa Mg Cd\n2 12 2\ndirect\n0.500000 0.500000 0.669116 Ba\n0.500000 0.000000 0.169116 Ba\n0.500000 0.740211 0.920885 Mg\n0.500000 0.259789 0.920885 Mg\n0.000000 0.225722 0.575997 Mg\n0.000000 0.774278 0.575997 Mg\n0.000000 0.500000 0.849532 Mg\n0.000000 0.000000 0.830915 Mg\n0.500000 0.240211 0.420885 Mg\n0.500000 0.759789 0.420885 Mg\n0.000000 0.725722 0.075997 Mg\n0.000000 0.274278 0.075997 Mg\n0.000000 0.000000 0.349532 Mg\n0.000000 0.500000 0.330915 Mg\n0.500000 0.000000 0.656669 Cd\n0.500000 0.500000 0.156669 Cd\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Cd"
],
"chemical_system": "Ba-Cd-Mg",
"density": 2.990023220427594,
"density_atomic": 0.0364161726232781,
"volume": 439.3652283428713,
"volume_molar": 16.536995313314453,
"formula_full": "Ba2 Mg12 Cd2",
"formula_reduced": "BaMg6Cd",
"formula_anonymous": "ABC6",
"energy": -23.93729436,
"energy_per_atom": -1.4960808975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.93729436,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.007118,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:01.980000Z",
"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-1016576",
"created_at": "2022-09-04T14:46:23.407877Z",
"structure_string": "Ba1 Mg6 B1\n1.0\n2.958667 -7.368699 0.000000\n2.958667 7.368699 0.000000\n0.000000 0.000000 4.723426\nBa Mg B\n1 6 1\ndirect\n0.795563 0.204437 0.500000 Ba\n0.299951 0.190637 0.500000 Mg\n0.809363 0.700049 0.500000 Mg\n0.190608 0.344804 0.000000 Mg\n0.655196 0.809392 0.000000 Mg\n0.624583 0.375417 0.000000 Mg\n0.196625 0.803375 0.000000 Mg\n0.428115 0.571885 0.500000 B\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"B"
],
"chemical_system": "B-Ba-Mg",
"density": 2.370146218715424,
"density_atomic": 0.038843286768134214,
"volume": 205.95579482637766,
"volume_molar": 15.503684834776577,
"formula_full": "Ba1 Mg6 B1",
"formula_reduced": "BaMg6B",
"formula_anonymous": "ABC6",
"energy": -15.84588239,
"energy_per_atom": -1.98073529875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.84588239,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001603,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:32.507000Z",
"spacegroup": 38
},
{
"id": "mp-1016572",
"created_at": "2022-09-04T14:41:30.915141Z",
"structure_string": "Cs1 Mg6 Ga1\n1.0\n3.143370 -8.835423 0.000000\n3.143370 8.835423 0.000000\n0.000000 0.000000 4.942140\nCs Mg Ga\n1 6 1\ndirect\n0.791818 0.208182 0.500000 Cs\n0.306767 0.173782 0.500000 Mg\n0.826218 0.693233 0.500000 Mg\n0.203828 0.296824 0.000000 Mg\n0.703176 0.796172 0.000000 Mg\n0.609405 0.390595 0.000000 Mg\n0.120868 0.879132 0.000000 Mg\n0.437928 0.562072 0.500000 Ga\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cs",
"Mg",
"Ga"
],
"chemical_system": "Cs-Ga-Mg",
"density": 2.107813639226671,
"density_atomic": 0.02914218407720014,
"volume": 274.5161439790276,
"volume_molar": 20.664685749176638,
"formula_full": "Cs1 Mg6 Ga1",
"formula_reduced": "CsMg6Ga",
"formula_anonymous": "ABC6",
"energy": -12.38288304,
"energy_per_atom": -1.54786038,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.38288304,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0051771,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:21.998000Z",
"spacegroup": 38
},
{
"id": "mp-1016571",
"created_at": "2022-09-04T14:40:27.546858Z",
"structure_string": "Mg12 Nb2 Mo2\n1.0\n4.810664 0.000000 0.000000\n0.000000 6.038285 0.000000\n0.000000 0.000000 10.951733\nMg Nb Mo\n12 2 2\ndirect\n0.000000 0.259022 0.076272 Mg\n0.000000 0.740978 0.076272 Mg\n0.000000 0.000000 0.331815 Mg\n0.500000 0.742624 0.422961 Mg\n0.500000 0.257376 0.422961 Mg\n0.500000 0.000000 0.169724 Mg\n0.000000 0.759022 0.576272 Mg\n0.000000 0.240978 0.576272 Mg\n0.000000 0.500000 0.831815 Mg\n0.500000 0.242624 0.922961 Mg\n0.500000 0.757376 0.922961 Mg\n0.500000 0.500000 0.669724 Mg\n0.000000 0.500000 0.310212 Nb\n0.000000 0.000000 0.810212 Nb\n0.500000 0.500000 0.189785 Mo\n0.500000 0.000000 0.689785 Mo\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Nb",
"Mo"
],
"chemical_system": "Mg-Mo-Nb",
"density": 3.49383729639696,
"density_atomic": 0.05029426934452067,
"volume": 318.1276954318281,
"volume_molar": 11.973811009655487,
"formula_full": "Mg12 Nb2 Mo2",
"formula_reduced": "Mg6NbMo",
"formula_anonymous": "ABC6",
"energy": -57.63810222,
"energy_per_atom": -3.60238138875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -57.63810222,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0389555,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:03.412000Z",
"spacegroup": 38
},
{
"id": "mp-1016570",
"created_at": "2022-09-04T14:42:08.610355Z",
"structure_string": "Ba2 Mg12 Ga2\n1.0\n5.076550 0.000000 0.000000\n0.000000 7.082358 0.000000\n0.000000 0.000000 11.928135\nBa Mg Ga\n2 12 2\ndirect\n0.000000 0.500000 0.328526 Ba\n0.000000 0.000000 0.828526 Ba\n0.000000 0.264187 0.079797 Mg\n0.000000 0.735813 0.079797 Mg\n0.000000 0.500000 0.837327 Mg\n0.500000 0.283711 0.929170 Mg\n0.500000 0.716289 0.929170 Mg\n0.500000 0.500000 0.666334 Mg\n0.000000 0.764187 0.579797 Mg\n0.000000 0.235813 0.579797 Mg\n0.000000 0.000000 0.337327 Mg\n0.500000 0.783711 0.429170 Mg\n0.500000 0.216289 0.429170 Mg\n0.500000 0.000000 0.166334 Mg\n0.500000 0.500000 0.149880 Ga\n0.500000 0.000000 0.649880 Ga\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Ga"
],
"chemical_system": "Ba-Ga-Mg",
"density": 2.732669115367679,
"density_atomic": 0.037307907660249065,
"volume": 428.8635038369553,
"volume_molar": 16.141727418330905,
"formula_full": "Ba2 Mg12 Ga2",
"formula_reduced": "BaMg6Ga",
"formula_anonymous": "ABC6",
"energy": -28.37772166,
"energy_per_atom": -1.77360760375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.37772166,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0081295,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:39.760000Z",
"spacegroup": 38
},
{
"id": "mp-1016569",
"created_at": "2022-09-04T14:40:28.720732Z",
"structure_string": "Mg12 Nb2 Cd2\n1.0\n4.944352 0.000000 0.000000\n0.000000 6.296696 0.000000\n0.000000 0.000000 10.913465\nMg Nb Cd\n12 2 2\ndirect\n0.000000 0.251498 0.081874 Mg\n0.000000 0.748502 0.081874 Mg\n0.000000 0.000000 0.334459 Mg\n0.500000 0.740855 0.413599 Mg\n0.500000 0.259145 0.413599 Mg\n0.500000 0.000000 0.166940 Mg\n0.000000 0.751498 0.581874 Mg\n0.000000 0.248502 0.581874 Mg\n0.000000 0.500000 0.834459 Mg\n0.500000 0.240855 0.913599 Mg\n0.500000 0.759145 0.913599 Mg\n0.500000 0.500000 0.666940 Mg\n0.000000 0.500000 0.333741 Nb\n0.000000 0.000000 0.833741 Nb\n0.500000 0.500000 0.173914 Cd\n0.500000 0.000000 0.673914 Cd\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Nb",
"Cd"
],
"chemical_system": "Cd-Mg-Nb",
"density": 3.432288281264219,
"density_atomic": 0.04709070741935107,
"volume": 339.7697948666851,
"volume_molar": 12.788384566771894,
"formula_full": "Mg12 Nb2 Cd2",
"formula_reduced": "Mg6NbCd",
"formula_anonymous": "ABC6",
"energy": -39.26354184,
"energy_per_atom": -2.453971365,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.26354184,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0062193,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.413000Z",
"spacegroup": 38
},
{
"id": "mp-1016566",
"created_at": "2022-09-04T14:41:54.662557Z",
"structure_string": "Ba2 Mg12 Bi2\n1.0\n5.201486 0.000000 0.000000\n0.000000 7.226757 0.000000\n0.000000 0.000000 12.234102\nBa Mg Bi\n2 12 2\ndirect\n0.000000 0.500000 0.330028 Ba\n0.000000 0.000000 0.830028 Ba\n0.000000 0.249152 0.077619 Mg\n0.000000 0.750848 0.077619 Mg\n0.000000 0.500000 0.843194 Mg\n0.500000 0.284400 0.927855 Mg\n0.500000 0.715600 0.927855 Mg\n0.500000 0.500000 0.668642 Mg\n0.000000 0.749152 0.577619 Mg\n0.000000 0.250848 0.577619 Mg\n0.000000 0.000000 0.343194 Mg\n0.500000 0.784400 0.427855 Mg\n0.500000 0.215600 0.427855 Mg\n0.500000 0.000000 0.168642 Mg\n0.500000 0.500000 0.147186 Bi\n0.500000 0.000000 0.647186 Bi\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Bi"
],
"chemical_system": "Ba-Bi-Mg",
"density": 3.554041387165054,
"density_atomic": 0.03479180815401555,
"volume": 459.8783693325619,
"volume_molar": 17.309076703749717,
"formula_full": "Ba2 Mg12 Bi2",
"formula_reduced": "BaMg6Bi",
"formula_anonymous": "ABC6",
"energy": -30.94803468,
"energy_per_atom": -1.9342521675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.94803468,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0040696,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:31.828000Z",
"spacegroup": 38
},
{
"id": "mp-1016560",
"created_at": "2022-09-04T14:47:29.923773Z",
"structure_string": "Ba2 Mg12 Cr2\n1.0\n5.269123 0.000000 0.000000\n0.000000 6.725236 0.000000\n0.000000 0.000000 11.869150\nBa Mg Cr\n2 12 2\ndirect\n0.500000 0.000000 0.168107 Ba\n0.500000 0.500000 0.668107 Ba\n0.500000 0.245455 0.419365 Mg\n0.500000 0.754545 0.419365 Mg\n0.000000 0.723353 0.081165 Mg\n0.000000 0.276647 0.081165 Mg\n0.000000 0.000000 0.346838 Mg\n0.000000 0.500000 0.323271 Mg\n0.500000 0.745455 0.919365 Mg\n0.500000 0.254545 0.919365 Mg\n0.000000 0.223353 0.581165 Mg\n0.000000 0.776647 0.581165 Mg\n0.000000 0.500000 0.846838 Mg\n0.000000 0.000000 0.823271 Mg\n0.500000 0.500000 0.160719 Cr\n0.500000 0.000000 0.660719 Cr\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Cr"
],
"chemical_system": "Ba-Cr-Mg",
"density": 2.646408298649232,
"density_atomic": 0.038041225430181715,
"volume": 420.59633513555747,
"volume_molar": 15.83056458329038,
"formula_full": "Ba2 Mg12 Cr2",
"formula_reduced": "BaMg6Cr",
"formula_anonymous": "ABC6",
"energy": -37.88958628,
"energy_per_atom": -2.3680991425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.88958628,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.6768422,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:12.120000Z",
"spacegroup": 38
}
]
}