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=115",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=id&page=113",
"results": [
{
"id": "mp-1017474",
"created_at": "2022-09-04T14:42:14.015948Z",
"structure_string": "La2 Mg12 Mo2\n1.0\n4.958891 0.000000 0.000000\n0.000000 6.450764 0.000000\n0.000000 0.000000 11.499718\nLa Mg Mo\n2 12 2\ndirect\n0.000000 0.500000 0.300957 La\n0.000000 0.000000 0.800957 La\n0.000000 0.259001 0.072475 Mg\n0.000000 0.740999 0.072475 Mg\n0.000000 0.000000 0.335231 Mg\n0.500000 0.761916 0.427994 Mg\n0.500000 0.238084 0.427994 Mg\n0.500000 0.000000 0.171523 Mg\n0.000000 0.759001 0.572475 Mg\n0.000000 0.240999 0.572475 Mg\n0.000000 0.500000 0.835231 Mg\n0.500000 0.261916 0.927994 Mg\n0.500000 0.738084 0.927994 Mg\n0.500000 0.500000 0.671523 Mg\n0.500000 0.500000 0.191350 Mo\n0.500000 0.000000 0.691350 Mo\n",
"nsites": 16,
"nelements": 3,
"elements": [
"La",
"Mg",
"Mo"
],
"chemical_system": "La-Mg-Mo",
"density": 3.4367748318836315,
"density_atomic": 0.043494773761347784,
"volume": 367.86028794610297,
"volume_molar": 13.84566521265977,
"formula_full": "La2 Mg12 Mo2",
"formula_reduced": "LaMg6Mo",
"formula_anonymous": "ABC6",
"energy": -47.07476405,
"energy_per_atom": -2.942172753125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.07476405,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0104735,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:50.137000Z",
"spacegroup": 38
},
{
"id": "mp-1017475",
"created_at": "2022-09-04T14:46:28.963295Z",
"structure_string": "La2 Mg12 Bi2\n1.0\n5.084686 0.000000 0.000000\n0.000000 6.621551 0.000000\n0.000000 0.000000 12.621075\nLa Mg Bi\n2 12 2\ndirect\n0.000000 0.500000 0.314836 La\n0.000000 0.000000 0.814836 La\n0.000000 0.228663 0.069329 Mg\n0.000000 0.771337 0.069329 Mg\n0.000000 0.000000 0.348182 Mg\n0.500000 0.754274 0.430497 Mg\n0.500000 0.245726 0.430497 Mg\n0.500000 0.000000 0.195504 Mg\n0.000000 0.728663 0.569329 Mg\n0.000000 0.271337 0.569329 Mg\n0.000000 0.500000 0.848182 Mg\n0.500000 0.254274 0.930497 Mg\n0.500000 0.745726 0.930497 Mg\n0.500000 0.500000 0.695504 Mg\n0.500000 0.500000 0.141826 Bi\n0.500000 0.000000 0.641826 Bi\n",
"nsites": 16,
"nelements": 3,
"elements": [
"La",
"Mg",
"Bi"
],
"chemical_system": "Bi-La-Mg",
"density": 3.858655139384097,
"density_atomic": 0.037653015936795854,
"volume": 424.93276041572636,
"volume_molar": 15.993780604742877,
"formula_full": "La2 Mg12 Bi2",
"formula_reduced": "LaMg6Bi",
"formula_anonymous": "ABC6",
"energy": -38.44510837,
"energy_per_atom": -2.402819273125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.44510837,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0028907,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:40.470000Z",
"spacegroup": 38
},
{
"id": "mp-1017476",
"created_at": "2022-09-04T14:47:13.036330Z",
"structure_string": "La2 Mg12 Cd2\n1.0\n5.176037 0.000000 0.000000\n0.000000 6.618328 0.000000\n0.000000 0.000000 11.819752\nLa Mg Cd\n2 12 2\ndirect\n0.000000 0.000000 0.169152 La\n0.000000 0.500000 0.669152 La\n0.000000 0.245508 0.418851 Mg\n0.000000 0.754492 0.418851 Mg\n0.500000 0.741509 0.080187 Mg\n0.500000 0.258491 0.080187 Mg\n0.500000 0.000000 0.338608 Mg\n0.500000 0.500000 0.332265 Mg\n0.000000 0.745508 0.918851 Mg\n0.000000 0.254492 0.918851 Mg\n0.500000 0.241509 0.580187 Mg\n0.500000 0.758491 0.580187 Mg\n0.500000 0.500000 0.838608 Mg\n0.500000 0.000000 0.832265 Mg\n0.000000 0.500000 0.161896 Cd\n0.000000 0.000000 0.661896 Cd\n",
"nsites": 16,
"nelements": 3,
"elements": [
"La",
"Mg",
"Cd"
],
"chemical_system": "Cd-La-Mg",
"density": 3.2574351367463463,
"density_atomic": 0.039515361507477025,
"volume": 404.90582370029716,
"volume_molar": 15.239999155418335,
"formula_full": "La2 Mg12 Cd2",
"formula_reduced": "LaMg6Cd",
"formula_anonymous": "ABC6",
"energy": -31.20208165,
"energy_per_atom": -1.950130103125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.20208165,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0085278,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:59.310000Z",
"spacegroup": 38
},
{
"id": "mp-1017477",
"created_at": "2022-09-04T14:44:11.205993Z",
"structure_string": "La2 Mg12 W2\n1.0\n5.020477 0.000000 0.000000\n0.000000 6.432658 0.000000\n0.000000 0.000000 11.360022\nLa Mg W\n2 12 2\ndirect\n0.000000 0.500000 0.304993 La\n0.000000 0.000000 0.804993 La\n0.000000 0.261703 0.074653 Mg\n0.000000 0.738297 0.074653 Mg\n0.000000 0.000000 0.334535 Mg\n0.500000 0.761391 0.427480 Mg\n0.500000 0.238609 0.427480 Mg\n0.500000 0.000000 0.169076 Mg\n0.000000 0.761703 0.574653 Mg\n0.000000 0.238297 0.574653 Mg\n0.000000 0.500000 0.834535 Mg\n0.500000 0.261391 0.927480 Mg\n0.500000 0.738609 0.927480 Mg\n0.500000 0.500000 0.669076 Mg\n0.500000 0.500000 0.187131 W\n0.500000 0.000000 0.687131 W\n",
"nsites": 16,
"nelements": 3,
"elements": [
"La",
"Mg",
"W"
],
"chemical_system": "La-Mg-W",
"density": 4.24173981901715,
"density_atomic": 0.04361193600893497,
"volume": 366.87204156041156,
"volume_molar": 13.808469219908554,
"formula_full": "La2 Mg12 W2",
"formula_reduced": "LaMg6W",
"formula_anonymous": "ABC6",
"energy": -49.874852,
"energy_per_atom": -3.11717825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.874852,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006608,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:27.332000Z",
"spacegroup": 38
},
{
"id": "mp-1017478",
"created_at": "2022-09-04T14:45:27.803200Z",
"structure_string": "La2 Mg12 Cd2\n1.0\n5.167138 0.000000 0.000000\n0.000000 6.744458 0.000000\n0.000000 0.000000 11.673125\nLa Mg Cd\n2 12 2\ndirect\n0.000000 0.500000 0.330970 La\n0.000000 0.000000 0.830970 La\n0.000000 0.254914 0.080562 Mg\n0.000000 0.745086 0.080562 Mg\n0.000000 0.500000 0.837261 Mg\n0.500000 0.262274 0.921809 Mg\n0.500000 0.737726 0.921809 Mg\n0.500000 0.500000 0.667107 Mg\n0.000000 0.754914 0.580562 Mg\n0.000000 0.245086 0.580562 Mg\n0.000000 0.000000 0.337261 Mg\n0.500000 0.762274 0.421809 Mg\n0.500000 0.237726 0.421809 Mg\n0.500000 0.000000 0.167107 Mg\n0.500000 0.500000 0.159921 Cd\n0.500000 0.000000 0.659921 Cd\n",
"nsites": 16,
"nelements": 3,
"elements": [
"La",
"Mg",
"Cd"
],
"chemical_system": "Cd-La-Mg",
"density": 3.242242905977798,
"density_atomic": 0.03933106728035579,
"volume": 406.8030975602669,
"volume_molar": 15.311409469449625,
"formula_full": "La2 Mg12 Cd2",
"formula_reduced": "LaMg6Cd",
"formula_anonymous": "ABC6",
"energy": -31.27713143,
"energy_per_atom": -1.954820714375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.27713143,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0029682,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:00.552000Z",
"spacegroup": 38
},
{
"id": "mp-1017481",
"created_at": "2022-09-04T14:43:13.608065Z",
"structure_string": "La2 Mg12 Cr2\n1.0\n5.219351 0.000000 0.000000\n0.000000 6.479615 0.000000\n0.000000 0.000000 11.553447\nLa Mg Cr\n2 12 2\ndirect\n0.500000 0.500000 0.667082 La\n0.500000 0.000000 0.167082 La\n0.500000 0.744486 0.918278 Mg\n0.500000 0.255514 0.918278 Mg\n0.000000 0.236335 0.582492 Mg\n0.000000 0.763665 0.582492 Mg\n0.000000 0.500000 0.838157 Mg\n0.000000 0.000000 0.828847 Mg\n0.500000 0.244486 0.418278 Mg\n0.500000 0.755514 0.418278 Mg\n0.000000 0.736335 0.082492 Mg\n0.000000 0.263665 0.082492 Mg\n0.000000 0.000000 0.338157 Mg\n0.000000 0.500000 0.328847 Mg\n0.500000 0.000000 0.664369 Cr\n0.500000 0.500000 0.164369 Cr\n",
"nsites": 16,
"nelements": 3,
"elements": [
"La",
"Mg",
"Cr"
],
"chemical_system": "Cr-La-Mg",
"density": 2.8621055498602717,
"density_atomic": 0.04094894339058771,
"volume": 390.7304725151387,
"volume_molar": 14.706461904421728,
"formula_full": "La2 Mg12 Cr2",
"formula_reduced": "LaMg6Cr",
"formula_anonymous": "ABC6",
"energy": -45.49415957,
"energy_per_atom": -2.843384973125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.49415957,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.2407384,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:17.464000Z",
"spacegroup": 38
},
{
"id": "mp-1017482",
"created_at": "2022-09-04T14:48:00.019848Z",
"structure_string": "Li2 Hf2 Mg12\n1.0\n5.070394 0.000000 0.000000\n0.000000 6.330363 0.000000\n0.000000 0.000000 11.032554\nLi Hf Mg\n2 2 12\ndirect\n0.000000 0.500000 0.332226 Li\n0.000000 0.000000 0.832226 Li\n0.500000 0.500000 0.165549 Hf\n0.500000 0.000000 0.665549 Hf\n0.000000 0.254571 0.084790 Mg\n0.000000 0.745429 0.084790 Mg\n0.000000 0.000000 0.333222 Mg\n0.500000 0.745623 0.417382 Mg\n0.500000 0.254377 0.417382 Mg\n0.500000 0.000000 0.164658 Mg\n0.000000 0.754571 0.584790 Mg\n0.000000 0.245429 0.584790 Mg\n0.000000 0.500000 0.833222 Mg\n0.500000 0.245623 0.917382 Mg\n0.500000 0.754377 0.917382 Mg\n0.500000 0.500000 0.664658 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Hf",
"Mg"
],
"chemical_system": "Hf-Li-Mg",
"density": 3.1067264690747374,
"density_atomic": 0.045182847618165344,
"volume": 354.1166801883321,
"volume_molar": 13.328378084737746,
"formula_full": "Li2 Hf2 Mg12",
"formula_reduced": "LiHfMg6",
"formula_anonymous": "ABC6",
"energy": -40.98678626,
"energy_per_atom": -2.56167414125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.98678626,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.003934,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:30.951000Z",
"spacegroup": 38
},
{
"id": "mp-1017483",
"created_at": "2022-09-04T14:39:33.896153Z",
"structure_string": "La2 Mg12 Mo2\n1.0\n5.165588 0.000000 0.000000\n0.000000 6.016077 0.000000\n0.000000 0.000000 11.825692\nLa Mg Mo\n2 12 2\ndirect\n0.500000 0.000000 0.174327 La\n0.500000 0.500000 0.674327 La\n0.500000 0.249931 0.422177 Mg\n0.500000 0.750069 0.422177 Mg\n0.000000 0.733526 0.083045 Mg\n0.000000 0.266474 0.083045 Mg\n0.000000 0.000000 0.340990 Mg\n0.000000 0.500000 0.309144 Mg\n0.500000 0.749931 0.922177 Mg\n0.500000 0.250069 0.922177 Mg\n0.000000 0.233526 0.583045 Mg\n0.000000 0.766474 0.583045 Mg\n0.000000 0.500000 0.840990 Mg\n0.000000 0.000000 0.809144 Mg\n0.500000 0.500000 0.165091 Mo\n0.500000 0.000000 0.665091 Mo\n",
"nsites": 16,
"nelements": 3,
"elements": [
"La",
"Mg",
"Mo"
],
"chemical_system": "La-Mg-Mo",
"density": 3.440125381107767,
"density_atomic": 0.04353717729012368,
"volume": 367.5020062366232,
"volume_molar": 13.832180069620891,
"formula_full": "La2 Mg12 Mo2",
"formula_reduced": "LaMg6Mo",
"formula_anonymous": "ABC6",
"energy": -46.95569814,
"energy_per_atom": -2.93473113375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.95569814,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.5178058,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:32.478000Z",
"spacegroup": 38
},
{
"id": "mp-1017484",
"created_at": "2022-09-04T14:41:25.083585Z",
"structure_string": "La2 Mg12 Nb2\n1.0\n5.182758 0.000000 0.000000\n0.000000 6.141735 0.000000\n0.000000 0.000000 11.894590\nLa Mg Nb\n2 12 2\ndirect\n0.500000 0.000000 0.173397 La\n0.500000 0.500000 0.673397 La\n0.500000 0.250337 0.420791 Mg\n0.500000 0.749663 0.420791 Mg\n0.000000 0.735197 0.082003 Mg\n0.000000 0.264803 0.082003 Mg\n0.000000 0.000000 0.341269 Mg\n0.000000 0.500000 0.315294 Mg\n0.500000 0.750337 0.920791 Mg\n0.500000 0.249663 0.920791 Mg\n0.000000 0.235197 0.582003 Mg\n0.000000 0.764803 0.582003 Mg\n0.000000 0.500000 0.841269 Mg\n0.000000 0.000000 0.815294 Mg\n0.500000 0.500000 0.164448 Nb\n0.500000 0.000000 0.664448 Nb\n",
"nsites": 16,
"nelements": 3,
"elements": [
"La",
"Mg",
"Nb"
],
"chemical_system": "La-Mg-Nb",
"density": 3.312514045267343,
"density_atomic": 0.04225893048023295,
"volume": 378.6181954482772,
"volume_molar": 14.25057542054198,
"formula_full": "La2 Mg12 Nb2",
"formula_reduced": "LaMg6Nb",
"formula_anonymous": "ABC6",
"energy": -46.16801153,
"energy_per_atom": -2.885500720625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.16801153,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.2290571,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:23.405000Z",
"spacegroup": 38
},
{
"id": "mp-1017486",
"created_at": "2022-09-04T14:40:03.301853Z",
"structure_string": "Li2 Hf2 Mg12\n1.0\n5.035321 0.000000 0.000000\n0.000000 6.451805 0.000000\n0.000000 0.000000 10.950333\nLi Hf Mg\n2 2 12\ndirect\n0.500000 0.000000 0.835789 Li\n0.500000 0.500000 0.335789 Li\n0.500000 0.000000 0.334957 Hf\n0.500000 0.500000 0.834957 Hf\n0.500000 0.255379 0.581592 Mg\n0.500000 0.744621 0.581592 Mg\n0.000000 0.249166 0.414469 Mg\n0.000000 0.750834 0.414469 Mg\n0.000000 0.000000 0.667937 Mg\n0.000000 0.000000 0.169199 Mg\n0.500000 0.755379 0.081592 Mg\n0.500000 0.244621 0.081592 Mg\n0.000000 0.749166 0.914469 Mg\n0.000000 0.250834 0.914469 Mg\n0.000000 0.500000 0.167937 Mg\n0.000000 0.500000 0.669199 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Hf",
"Mg"
],
"chemical_system": "Hf-Li-Mg",
"density": 3.092528286913345,
"density_atomic": 0.044976355573423395,
"volume": 355.74247392899986,
"volume_molar": 13.389570326944172,
"formula_full": "Li2 Hf2 Mg12",
"formula_reduced": "LiHfMg6",
"formula_anonymous": "ABC6",
"energy": -40.82704857,
"energy_per_atom": -2.551690535625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.82704857,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.6917007,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:44.362000Z",
"spacegroup": 38
},
{
"id": "mp-1017487",
"created_at": "2022-09-04T14:43:13.297281Z",
"structure_string": "Ba2 La2 Mg12\n1.0\n5.444897 0.000000 0.000000\n0.000000 7.248243 0.000000\n0.000000 0.000000 12.089391\nBa La Mg\n2 2 12\ndirect\n0.500000 0.500000 0.834893 Ba\n0.500000 0.000000 0.334893 Ba\n0.500000 0.500000 0.340176 La\n0.500000 0.000000 0.840176 La\n0.500000 0.253462 0.082469 Mg\n0.500000 0.746538 0.082469 Mg\n0.000000 0.237835 0.928870 Mg\n0.000000 0.762165 0.928870 Mg\n0.000000 0.500000 0.156165 Mg\n0.000000 0.500000 0.646094 Mg\n0.500000 0.753462 0.582469 Mg\n0.500000 0.246538 0.582469 Mg\n0.000000 0.737835 0.428870 Mg\n0.000000 0.262165 0.428870 Mg\n0.000000 0.000000 0.656165 Mg\n0.000000 0.000000 0.146094 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ba",
"La",
"Mg"
],
"chemical_system": "Ba-La-Mg",
"density": 2.937845765055135,
"density_atomic": 0.033534601139866206,
"volume": 477.1191383272208,
"volume_molar": 17.957991314352718,
"formula_full": "Ba2 La2 Mg12",
"formula_reduced": "BaLaMg6",
"formula_anonymous": "ABC6",
"energy": -31.5131642,
"energy_per_atom": -1.9695727625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.5131642,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0063238,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:05.012000Z",
"spacegroup": 38
},
{
"id": "mp-1017488",
"created_at": "2022-09-04T14:40:04.630601Z",
"structure_string": "Rb2 La2 Mg12\n1.0\n5.427793 0.000000 0.000000\n0.000000 7.231186 0.000000\n0.000000 0.000000 12.062097\nRb La Mg\n2 2 12\ndirect\n0.000000 0.000000 0.148801 Rb\n0.000000 0.500000 0.648801 Rb\n0.500000 0.000000 0.342606 La\n0.500000 0.500000 0.842606 La\n0.500000 0.215351 0.585513 Mg\n0.500000 0.784649 0.585513 Mg\n0.500000 0.000000 0.846073 Mg\n0.000000 0.248441 0.412271 Mg\n0.000000 0.751559 0.412271 Mg\n0.000000 0.000000 0.666957 Mg\n0.500000 0.715351 0.085513 Mg\n0.500000 0.284649 0.085513 Mg\n0.500000 0.500000 0.346073 Mg\n0.000000 0.748441 0.912271 Mg\n0.000000 0.251559 0.912271 Mg\n0.000000 0.500000 0.166957 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Rb",
"La",
"Mg"
],
"chemical_system": "La-Mg-Rb",
"density": 2.5969507762342188,
"density_atomic": 0.03379592649557807,
"volume": 473.4298378265639,
"volume_molar": 17.81913202109713,
"formula_full": "Rb2 La2 Mg12",
"formula_reduced": "RbLaMg6",
"formula_anonymous": "ABC6",
"energy": -27.56080419,
"energy_per_atom": -1.722550261875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.56080419,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0044442,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.246000Z",
"spacegroup": 38
}
]
}