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=95",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=id&page=93",
"results": [
{
"id": "mp-1016629",
"created_at": "2022-09-04T14:46:13.698996Z",
"structure_string": "Mg12 Cd2 Mo2\n1.0\n4.932848 0.000000 0.000000\n0.000000 6.195490 0.000000\n0.000000 0.000000 10.703952\nMg Cd Mo\n12 2 2\ndirect\n0.000000 0.251729 0.082533 Mg\n0.000000 0.748271 0.082533 Mg\n0.000000 0.500000 0.834535 Mg\n0.500000 0.237475 0.911704 Mg\n0.500000 0.762525 0.911704 Mg\n0.500000 0.500000 0.666930 Mg\n0.000000 0.751729 0.582533 Mg\n0.000000 0.248271 0.582533 Mg\n0.000000 0.000000 0.334535 Mg\n0.500000 0.737475 0.411704 Mg\n0.500000 0.262525 0.411704 Mg\n0.500000 0.000000 0.166930 Mg\n0.500000 0.500000 0.172897 Cd\n0.500000 0.000000 0.672897 Cd\n0.000000 0.500000 0.337164 Mo\n0.000000 0.000000 0.837164 Mo\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Cd",
"Mo"
],
"chemical_system": "Cd-Mg-Mo",
"density": 3.5957277875831037,
"density_atomic": 0.04891053755893622,
"volume": 327.1278705681842,
"volume_molar": 12.312563019254167,
"formula_full": "Mg12 Cd2 Mo2",
"formula_reduced": "Mg6CdMo",
"formula_anonymous": "ABC6",
"energy": -39.8133852,
"energy_per_atom": -2.488336575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.8133852,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.4481987,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:22.782000Z",
"spacegroup": 38
},
{
"id": "mp-1016630",
"created_at": "2022-09-04T14:46:17.438695Z",
"structure_string": "Mg6 Nb1 C1\n1.0\n2.773453 -5.956514 0.000000\n2.773453 5.956514 0.000000\n0.000000 0.000000 4.559689\nMg Nb C\n6 1 1\ndirect\n0.308167 0.200975 0.500000 Mg\n0.799025 0.691833 0.500000 Mg\n0.165931 0.338926 0.000000 Mg\n0.661074 0.834069 0.000000 Mg\n0.663386 0.336614 0.000000 Mg\n0.198377 0.801623 0.000000 Mg\n0.811309 0.188691 0.500000 Nb\n0.392735 0.607265 0.500000 C\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Nb",
"C"
],
"chemical_system": "C-Mg-Nb",
"density": 2.763801108238115,
"density_atomic": 0.05310211169663307,
"volume": 150.65314249088965,
"volume_molar": 11.340680375205931,
"formula_full": "Mg6 Nb1 C1",
"formula_reduced": "Mg6NbC",
"formula_anonymous": "ABC6",
"energy": -23.77241227,
"energy_per_atom": -2.97155153375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.77241227,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0252616,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:27.427000Z",
"spacegroup": 38
},
{
"id": "mp-1016632",
"created_at": "2022-09-04T14:45:26.598441Z",
"structure_string": "Mg12 Nb2 Cr2\n1.0\n4.829682 0.000000 0.000000\n0.000000 6.066165 0.000000\n0.000000 0.000000 11.085390\nMg Nb Cr\n12 2 2\ndirect\n0.000000 0.256948 0.076722 Mg\n0.000000 0.743052 0.076722 Mg\n0.000000 0.000000 0.331896 Mg\n0.500000 0.739898 0.420252 Mg\n0.500000 0.260102 0.420252 Mg\n0.500000 0.000000 0.172029 Mg\n0.000000 0.756948 0.576722 Mg\n0.000000 0.243052 0.576722 Mg\n0.000000 0.500000 0.831896 Mg\n0.500000 0.239898 0.920252 Mg\n0.500000 0.760102 0.920252 Mg\n0.500000 0.500000 0.672029 Mg\n0.000000 0.500000 0.309216 Nb\n0.000000 0.000000 0.809216 Nb\n0.500000 0.500000 0.192911 Cr\n0.500000 0.000000 0.692911 Cr\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Nb",
"Cr"
],
"chemical_system": "Cr-Mg-Nb",
"density": 2.972958957831923,
"density_atomic": 0.04926474626833256,
"volume": 324.77585315982475,
"volume_molar": 12.22403689485972,
"formula_full": "Mg12 Nb2 Cr2",
"formula_reduced": "Mg6NbCr",
"formula_anonymous": "ABC6",
"energy": -54.92517219,
"energy_per_atom": -3.432823261875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -54.92517219,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.0030926,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:58.604000Z",
"spacegroup": 38
},
{
"id": "mp-1016635",
"created_at": "2022-09-04T14:47:01.233061Z",
"structure_string": "Mg12 Cr2 Bi2\n1.0\n5.127833 0.000000 0.000000\n0.000000 6.438240 0.000000\n0.000000 0.000000 11.001120\nMg Cr Bi\n12 2 2\ndirect\n0.000000 0.239950 0.079793 Mg\n0.000000 0.760050 0.079793 Mg\n0.000000 0.500000 0.834210 Mg\n0.500000 0.246408 0.915053 Mg\n0.500000 0.753592 0.915053 Mg\n0.500000 0.500000 0.667841 Mg\n0.000000 0.739950 0.579793 Mg\n0.000000 0.260050 0.579793 Mg\n0.000000 0.000000 0.334210 Mg\n0.500000 0.746408 0.415053 Mg\n0.500000 0.253592 0.415053 Mg\n0.500000 0.000000 0.167841 Mg\n0.000000 0.500000 0.336912 Cr\n0.000000 0.000000 0.836912 Cr\n0.500000 0.500000 0.171345 Bi\n0.500000 0.000000 0.671345 Bi\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Cr",
"Bi"
],
"chemical_system": "Bi-Cr-Mg",
"density": 3.719880938971517,
"density_atomic": 0.04405366508680461,
"volume": 363.193390798998,
"volume_molar": 13.670010765582843,
"formula_full": "Mg12 Cr2 Bi2",
"formula_reduced": "Mg6CrBi",
"formula_anonymous": "ABC6",
"energy": -44.60428832,
"energy_per_atom": -2.78776802,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.60428832,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9922026,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:55.694000Z",
"spacegroup": 38
},
{
"id": "mp-1016636",
"created_at": "2022-09-04T14:45:18.632683Z",
"structure_string": "Mg12 Cr2 Ga2\n1.0\n4.934465 0.000000 0.000000\n0.000000 6.218434 0.000000\n0.000000 0.000000 10.710346\nMg Cr Ga\n12 2 2\ndirect\n0.000000 0.254366 0.084616 Mg\n0.000000 0.745634 0.084616 Mg\n0.000000 0.500000 0.833937 Mg\n0.500000 0.244640 0.913610 Mg\n0.500000 0.755360 0.913610 Mg\n0.500000 0.500000 0.667717 Mg\n0.000000 0.754366 0.584616 Mg\n0.000000 0.245634 0.584616 Mg\n0.000000 0.000000 0.333937 Mg\n0.500000 0.744640 0.413610 Mg\n0.500000 0.255360 0.413610 Mg\n0.500000 0.000000 0.167717 Mg\n0.000000 0.500000 0.329867 Cr\n0.000000 0.000000 0.829867 Cr\n0.500000 0.500000 0.172028 Ga\n0.500000 0.000000 0.672028 Ga\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Cr",
"Ga"
],
"chemical_system": "Cr-Ga-Mg",
"density": 2.703696783403443,
"density_atomic": 0.048685022996202164,
"volume": 328.6431640639901,
"volume_molar": 12.369596211282014,
"formula_full": "Mg12 Cr2 Ga2",
"formula_reduced": "Mg6CrGa",
"formula_anonymous": "ABC6",
"energy": -43.09920224,
"energy_per_atom": -2.69370014,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.09920224,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.043845,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:55.860000Z",
"spacegroup": 38
},
{
"id": "mp-1016637",
"created_at": "2022-09-04T14:40:59.038515Z",
"structure_string": "Mg12 Cr2 Ga2\n1.0\n4.987199 0.000000 0.000000\n0.000000 6.153210 0.000000\n0.000000 0.000000 10.729453\nMg Cr Ga\n12 2 2\ndirect\n0.500000 0.249007 0.416496 Mg\n0.500000 0.750993 0.416496 Mg\n0.000000 0.752410 0.085724 Mg\n0.000000 0.247590 0.085724 Mg\n0.000000 0.000000 0.330155 Mg\n0.000000 0.500000 0.331665 Mg\n0.500000 0.749007 0.916496 Mg\n0.500000 0.250993 0.916496 Mg\n0.000000 0.252410 0.585724 Mg\n0.000000 0.747590 0.585724 Mg\n0.000000 0.500000 0.830155 Mg\n0.000000 0.000000 0.831665 Mg\n0.500000 0.000000 0.167085 Cr\n0.500000 0.500000 0.667085 Cr\n0.500000 0.500000 0.166650 Ga\n0.500000 0.000000 0.666650 Ga\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Cr",
"Ga"
],
"chemical_system": "Cr-Ga-Mg",
"density": 2.69865005097441,
"density_atomic": 0.04859414731595896,
"volume": 329.25775805814766,
"volume_molar": 12.392728533426183,
"formula_full": "Mg12 Cr2 Ga2",
"formula_reduced": "Mg6CrGa",
"formula_anonymous": "ABC6",
"energy": -42.98972193,
"energy_per_atom": -2.686857620625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.98972193,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.135093,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:11.731000Z",
"spacegroup": 38
},
{
"id": "mp-1016638",
"created_at": "2022-09-04T14:44:20.775268Z",
"structure_string": "Mg12 Cd2 W2\n1.0\n4.897633 0.000000 0.000000\n0.000000 6.190477 0.000000\n0.000000 0.000000 10.703223\nMg Cd W\n12 2 2\ndirect\n0.500000 0.252708 0.082704 Mg\n0.500000 0.747292 0.082704 Mg\n0.000000 0.234929 0.912164 Mg\n0.000000 0.765071 0.912164 Mg\n0.000000 0.500000 0.176937 Mg\n0.000000 0.500000 0.666956 Mg\n0.500000 0.752708 0.582704 Mg\n0.500000 0.247292 0.582704 Mg\n0.000000 0.734929 0.412164 Mg\n0.000000 0.265071 0.412164 Mg\n0.000000 0.000000 0.676937 Mg\n0.000000 0.000000 0.166956 Mg\n0.500000 0.500000 0.833893 Cd\n0.500000 0.000000 0.333893 Cd\n0.500000 0.500000 0.332484 W\n0.500000 0.000000 0.832484 W\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Cd",
"W"
],
"chemical_system": "Cd-Mg-W",
"density": 4.5243481457526125,
"density_atomic": 0.049305464637264124,
"volume": 324.5076406380218,
"volume_molar": 12.213941810110398,
"formula_full": "Mg12 Cd2 W2",
"formula_reduced": "Mg6CdW",
"formula_anonymous": "ABC6",
"energy": -42.77391267,
"energy_per_atom": -2.673369541875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.77391267,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024231,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:32.339000Z",
"spacegroup": 38
},
{
"id": "mp-1016639",
"created_at": "2022-09-04T14:42:49.317315Z",
"structure_string": "Ba1 Mg6 Mo1\n1.0\n6.778143 0.000000 0.000000\n0.000000 6.778143 0.000000\n0.000000 0.000000 4.295167\nBa Mg Mo\n1 6 1\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.710146 0.289854 0.000000 Mg\n0.289854 0.710146 0.000000 Mg\n0.710146 0.710146 0.000000 Mg\n0.289854 0.289854 0.000000 Mg\n0.500000 0.500000 0.500000 Mo\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Mo"
],
"chemical_system": "Ba-Mg-Mo",
"density": 3.190053281160191,
"density_atomic": 0.04054044194005317,
"volume": 197.3338132778507,
"volume_molar": 14.854650003334674,
"formula_full": "Ba1 Mg6 Mo1",
"formula_reduced": "BaMg6Mo",
"formula_anonymous": "ABC6",
"energy": -20.27625773,
"energy_per_atom": -2.53453221625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.27625773,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0483153,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:56.146000Z",
"spacegroup": 123
},
{
"id": "mp-1016640",
"created_at": "2022-09-04T14:47:10.137281Z",
"structure_string": "Mg12 Bi2 Mo2\n1.0\n5.129538 0.000000 0.000000\n0.000000 6.197563 0.000000\n0.000000 0.000000 10.930138\nMg Bi Mo\n12 2 2\ndirect\n0.500000 0.248082 0.416696 Mg\n0.500000 0.751918 0.416696 Mg\n0.000000 0.766135 0.083498 Mg\n0.000000 0.233865 0.083498 Mg\n0.000000 0.000000 0.326732 Mg\n0.000000 0.500000 0.338394 Mg\n0.500000 0.748082 0.916696 Mg\n0.500000 0.251918 0.916696 Mg\n0.000000 0.266135 0.583498 Mg\n0.000000 0.733865 0.583498 Mg\n0.000000 0.500000 0.826732 Mg\n0.000000 0.000000 0.838394 Mg\n0.500000 0.500000 0.168506 Bi\n0.500000 0.000000 0.668506 Bi\n0.500000 0.000000 0.165976 Mo\n0.500000 0.500000 0.665976 Mo\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Bi",
"Mo"
],
"chemical_system": "Bi-Mg-Mo",
"density": 4.308145546105324,
"density_atomic": 0.046046342103619416,
"volume": 347.4760267383398,
"volume_molar": 13.078434648398787,
"formula_full": "Mg12 Bi2 Mo2",
"formula_reduced": "Mg6BiMo",
"formula_anonymous": "ABC6",
"energy": -45.4371896,
"energy_per_atom": -2.83982435,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.4371896,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.4385383,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:57.272000Z",
"spacegroup": 38
},
{
"id": "mp-1016641",
"created_at": "2022-09-04T14:46:05.056686Z",
"structure_string": "Mg12 Cd2 Mo2\n1.0\n4.901079 0.000000 0.000000\n0.000000 6.204277 0.000000\n0.000000 0.000000 10.743151\nMg Cd Mo\n12 2 2\ndirect\n0.500000 0.252483 0.082783 Mg\n0.500000 0.747517 0.082783 Mg\n0.000000 0.237742 0.912801 Mg\n0.000000 0.762258 0.912801 Mg\n0.000000 0.500000 0.175264 Mg\n0.000000 0.500000 0.667360 Mg\n0.500000 0.752483 0.582783 Mg\n0.500000 0.247517 0.582783 Mg\n0.000000 0.737742 0.412801 Mg\n0.000000 0.262258 0.412801 Mg\n0.000000 0.000000 0.675264 Mg\n0.000000 0.000000 0.167360 Mg\n0.500000 0.500000 0.833769 Cd\n0.500000 0.000000 0.333769 Cd\n0.500000 0.500000 0.332442 Mo\n0.500000 0.000000 0.832442 Mo\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Cd",
"Mo"
],
"chemical_system": "Cd-Mg-Mo",
"density": 3.6007236454602247,
"density_atomic": 0.048978493229880446,
"volume": 326.673993928397,
"volume_molar": 12.295479837926202,
"formula_full": "Mg12 Cd2 Mo2",
"formula_reduced": "Mg6CdMo",
"formula_anonymous": "ABC6",
"energy": -39.93583908,
"energy_per_atom": -2.4959899425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.93583908,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.1145864,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:19.773000Z",
"spacegroup": 38
},
{
"id": "mp-1016642",
"created_at": "2022-09-04T14:42:23.134539Z",
"structure_string": "Mg12 Ga2 Mo2\n1.0\n4.835722 0.000000 0.000000\n0.000000 6.185895 0.000000\n0.000000 0.000000 10.577767\nMg Ga Mo\n12 2 2\ndirect\n0.000000 0.254036 0.082830 Mg\n0.000000 0.745964 0.082830 Mg\n0.000000 0.500000 0.833726 Mg\n0.500000 0.238039 0.911254 Mg\n0.500000 0.761961 0.911254 Mg\n0.500000 0.500000 0.666197 Mg\n0.000000 0.754036 0.582830 Mg\n0.000000 0.245964 0.582830 Mg\n0.000000 0.000000 0.333726 Mg\n0.500000 0.738039 0.411254 Mg\n0.500000 0.261961 0.411254 Mg\n0.500000 0.000000 0.166197 Mg\n0.500000 0.500000 0.184137 Ga\n0.500000 0.000000 0.684137 Ga\n0.000000 0.500000 0.327772 Mo\n0.000000 0.000000 0.827772 Mo\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Ga",
"Mo"
],
"chemical_system": "Ga-Mg-Mo",
"density": 3.2694109914887135,
"density_atomic": 0.0505664093892068,
"volume": 316.4155848371377,
"volume_molar": 11.909369940918532,
"formula_full": "Mg12 Ga2 Mo2",
"formula_reduced": "Mg6GaMo",
"formula_anonymous": "ABC6",
"energy": -44.71010803,
"energy_per_atom": -2.794381751875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.71010803,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0051655,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:44.600000Z",
"spacegroup": 38
},
{
"id": "mp-1016643",
"created_at": "2022-09-04T14:45:57.062675Z",
"structure_string": "Mg12 Mo2 C2\n1.0\n4.801778 0.000000 0.000000\n0.000000 5.525419 0.000000\n0.000000 0.000000 10.733868\nMg Mo C\n12 2 2\ndirect\n0.500000 0.249421 0.426636 Mg\n0.500000 0.750579 0.426636 Mg\n0.000000 0.755282 0.080587 Mg\n0.000000 0.244718 0.080587 Mg\n0.000000 0.000000 0.324458 Mg\n0.000000 0.500000 0.308877 Mg\n0.500000 0.749421 0.926636 Mg\n0.500000 0.250579 0.926636 Mg\n0.000000 0.255282 0.580587 Mg\n0.000000 0.744718 0.580587 Mg\n0.000000 0.500000 0.824458 Mg\n0.000000 0.000000 0.808877 Mg\n0.500000 0.000000 0.179663 Mo\n0.500000 0.500000 0.679663 Mo\n0.500000 0.500000 0.172551 C\n0.500000 0.000000 0.672551 C\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Mo",
"C"
],
"chemical_system": "C-Mg-Mo",
"density": 2.95947134716801,
"density_atomic": 0.056181902040593666,
"volume": 284.7892189274646,
"volume_molar": 10.719004770697799,
"formula_full": "Mg12 Mo2 C2",
"formula_reduced": "Mg6MoC",
"formula_anonymous": "ABC6",
"energy": -47.48743711,
"energy_per_atom": -2.967964819375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.48743711,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0030515,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:13.791000Z",
"spacegroup": 38
}
]
}