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=106",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=id&page=104",
"results": [
{
"id": "mp-1017157",
"created_at": "2022-09-04T14:41:25.250842Z",
"structure_string": "Hf2 Mg12 Sb2\n1.0\n5.101850 0.000000 0.000000\n0.000000 6.474850 0.000000\n0.000000 0.000000 10.859294\nHf Mg Sb\n2 12 2\ndirect\n0.500000 0.500000 0.169294 Hf\n0.500000 0.000000 0.669294 Hf\n0.000000 0.248584 0.082537 Mg\n0.000000 0.751416 0.082537 Mg\n0.000000 0.500000 0.833552 Mg\n0.500000 0.255612 0.919223 Mg\n0.500000 0.744388 0.919223 Mg\n0.500000 0.500000 0.665442 Mg\n0.000000 0.748584 0.582537 Mg\n0.000000 0.251416 0.582537 Mg\n0.000000 0.000000 0.333552 Mg\n0.500000 0.755612 0.419223 Mg\n0.500000 0.244388 0.419223 Mg\n0.500000 0.000000 0.165442 Mg\n0.000000 0.500000 0.328192 Sb\n0.000000 0.000000 0.828192 Sb\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Hf",
"Mg",
"Sb"
],
"chemical_system": "Hf-Mg-Sb",
"density": 4.129836483139944,
"density_atomic": 0.044602684049223115,
"volume": 358.7228065096384,
"volume_molar": 13.501745216395543,
"formula_full": "Hf2 Mg12 Sb2",
"formula_reduced": "HfMg6Sb",
"formula_anonymous": "ABC6",
"energy": -47.89249073,
"energy_per_atom": -2.993280670625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.50849073,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0080213,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:19.702000Z",
"spacegroup": 38
},
{
"id": "mp-1017158",
"created_at": "2022-09-04T14:41:16.371864Z",
"structure_string": "Rb1 Mg6 Mo1\n1.0\n3.231642 -5.597368 0.000000\n3.231642 5.597368 0.000000\n0.000000 0.000000 5.136943\nRb Mg Mo\n1 6 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.481887 0.963774 0.000000 Mg\n0.036226 0.518113 0.000000 Mg\n0.481887 0.518113 0.000000 Mg\n0.824723 0.649447 0.500000 Mg\n0.350553 0.175277 0.500000 Mg\n0.824723 0.175277 0.500000 Mg\n0.333333 0.666667 0.500000 Mo\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Rb",
"Mg",
"Mo"
],
"chemical_system": "Mg-Mo-Rb",
"density": 2.9239552044939794,
"density_atomic": 0.0430475203622135,
"volume": 185.84113399995707,
"volume_molar": 13.989518349322042,
"formula_full": "Rb1 Mg6 Mo1",
"formula_reduced": "RbMg6Mo",
"formula_anonymous": "ABC6",
"energy": -17.84562334,
"energy_per_atom": -2.2307029175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.84562334,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001358,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:08.775000Z",
"spacegroup": 187
},
{
"id": "mp-1017159",
"created_at": "2022-09-04T14:39:07.903608Z",
"structure_string": "Rb2 Mg12 C2\n1.0\n3.283259 0.000000 0.000000\n0.000000 8.311256 0.000000\n0.000000 0.000000 14.580709\nRb Mg C\n2 12 2\ndirect\n0.000000 0.500000 0.341874 Rb\n0.000000 0.000000 0.841874 Rb\n0.000000 0.326940 0.128029 Mg\n0.000000 0.673060 0.128029 Mg\n0.000000 0.000000 0.289736 Mg\n0.500000 0.833131 0.463437 Mg\n0.500000 0.166869 0.463437 Mg\n0.500000 0.000000 0.092053 Mg\n0.000000 0.826940 0.628029 Mg\n0.000000 0.173060 0.628029 Mg\n0.000000 0.500000 0.789736 Mg\n0.500000 0.333131 0.963437 Mg\n0.500000 0.666869 0.963437 Mg\n0.500000 0.500000 0.592053 Mg\n0.500000 0.500000 0.093404 C\n0.500000 0.000000 0.593404 C\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Rb",
"Mg",
"C"
],
"chemical_system": "C-Mg-Rb",
"density": 2.0308877924462725,
"density_atomic": 0.040213283656275536,
"volume": 397.87847559927127,
"volume_molar": 14.975501158956481,
"formula_full": "Rb2 Mg12 C2",
"formula_reduced": "RbMg6C",
"formula_anonymous": "ABC6",
"energy": -33.75145334,
"energy_per_atom": -2.10946583375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.75145334,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2858493,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:32.574000Z",
"spacegroup": 38
},
{
"id": "mp-1017167",
"created_at": "2022-09-04T14:45:20.737068Z",
"structure_string": "Hf1 Mg6 C1\n1.0\n3.957858 -5.045566 0.000000\n3.957858 5.045566 0.000000\n0.000000 0.000000 4.470816\nHf Mg C\n1 6 1\ndirect\n0.637058 0.362942 0.500000 Hf\n0.924640 0.616192 0.000000 Mg\n0.383808 0.075360 0.000000 Mg\n0.409425 0.590575 0.000000 Mg\n0.716232 0.895748 0.500000 Mg\n0.104252 0.283768 0.500000 Mg\n0.203063 0.796937 0.500000 Mg\n0.621522 0.378478 0.000000 C\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Hf",
"Mg",
"C"
],
"chemical_system": "C-Hf-Mg",
"density": 3.1277261165324846,
"density_atomic": 0.04480258730825575,
"volume": 178.56111623548676,
"volume_molar": 13.441502202910284,
"formula_full": "Hf1 Mg6 C1",
"formula_reduced": "HfMg6C",
"formula_anonymous": "ABC6",
"energy": -26.9724491,
"energy_per_atom": -3.3715561375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.9724491,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014799,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:05.669000Z",
"spacegroup": 38
},
{
"id": "mp-1017171",
"created_at": "2022-09-04T14:43:18.347782Z",
"structure_string": "Rb2 Ba2 Mg12\n1.0\n5.242050 0.000000 0.000000\n0.000000 7.100767 0.000000\n0.000000 0.000000 14.257964\nRb Ba Mg\n2 2 12\ndirect\n0.500000 0.500000 0.677946 Rb\n0.500000 0.000000 0.177946 Rb\n0.500000 0.000000 0.673426 Ba\n0.500000 0.500000 0.173426 Ba\n0.500000 0.756621 0.922486 Mg\n0.500000 0.243379 0.922486 Mg\n0.000000 0.243020 0.541091 Mg\n0.000000 0.756980 0.541091 Mg\n0.000000 0.500000 0.862889 Mg\n0.000000 0.000000 0.858581 Mg\n0.500000 0.256621 0.422486 Mg\n0.500000 0.743379 0.422486 Mg\n0.000000 0.743020 0.041091 Mg\n0.000000 0.256980 0.041091 Mg\n0.000000 0.000000 0.362889 Mg\n0.000000 0.500000 0.358581 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Rb",
"Ba",
"Mg"
],
"chemical_system": "Ba-Mg-Rb",
"density": 2.306745637603736,
"density_atomic": 0.030147829298443878,
"volume": 530.7181436384828,
"volume_molar": 19.975371030480268,
"formula_full": "Rb2 Ba2 Mg12",
"formula_reduced": "RbBaMg6",
"formula_anonymous": "ABC6",
"energy": -22.01707973,
"energy_per_atom": -1.376067483125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.01707973,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0042723,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:03.223000Z",
"spacegroup": 38
},
{
"id": "mp-1017172",
"created_at": "2022-09-04T14:44:29.545558Z",
"structure_string": "Mg12 Bi2 C2\n1.0\n4.355462 0.000000 0.000000\n0.000000 6.058560 0.000000\n0.000000 0.000000 13.321305\nMg Bi C\n12 2 2\ndirect\n0.000000 0.758474 0.056626 Mg\n0.000000 0.241526 0.056626 Mg\n0.000000 0.000000 0.320206 Mg\n0.500000 0.278780 0.398783 Mg\n0.500000 0.721220 0.398783 Mg\n0.500000 0.000000 0.178304 Mg\n0.000000 0.258474 0.556626 Mg\n0.000000 0.741526 0.556626 Mg\n0.000000 0.500000 0.820206 Mg\n0.500000 0.778780 0.898783 Mg\n0.500000 0.221220 0.898783 Mg\n0.500000 0.500000 0.678304 Mg\n0.500000 0.500000 0.162240 Bi\n0.500000 0.000000 0.662240 Bi\n0.000000 0.500000 0.428432 C\n0.000000 0.000000 0.928432 C\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Bi",
"C"
],
"chemical_system": "Bi-C-Mg",
"density": 3.465636332022665,
"density_atomic": 0.045516574311833216,
"volume": 351.52030314022085,
"volume_molar": 13.230654659426751,
"formula_full": "Mg12 Bi2 C2",
"formula_reduced": "Mg6BiC",
"formula_anonymous": "ABC6",
"energy": -39.65828947,
"energy_per_atom": -2.478643091875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.65828947,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0018613,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:45.092000Z",
"spacegroup": 38
},
{
"id": "mp-1017173",
"created_at": "2022-09-04T14:40:22.726435Z",
"structure_string": "Rb1 Mg6 Nb1\n1.0\n6.781595 0.000000 0.000000\n0.000000 6.781595 0.000000\n0.000000 0.000000 4.492134\nRb Mg Nb\n1 6 1\ndirect\n0.000000 0.000000 0.500000 Rb\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.714313 0.285687 0.000000 Mg\n0.285687 0.714313 0.000000 Mg\n0.714313 0.714313 0.000000 Mg\n0.285687 0.285687 0.000000 Mg\n0.500000 0.500000 0.500000 Nb\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Rb",
"Mg",
"Nb"
],
"chemical_system": "Mg-Nb-Rb",
"density": 2.6058613516473703,
"density_atomic": 0.038723409096298365,
"volume": 206.59338076628003,
"volume_molar": 15.551680238235189,
"formula_full": "Rb1 Mg6 Nb1",
"formula_reduced": "RbMg6Nb",
"formula_anonymous": "ABC6",
"energy": -17.82018907,
"energy_per_atom": -2.22752363375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.82018907,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.3979632,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:47.359000Z",
"spacegroup": 123
},
{
"id": "mp-1017179",
"created_at": "2022-09-04T14:42:39.006144Z",
"structure_string": "Rb2 Sr2 Mg12\n1.0\n5.562621 0.000000 0.000000\n0.000000 7.185408 0.000000\n0.000000 0.000000 12.450834\nRb Sr Mg\n2 2 12\ndirect\n0.000000 0.500000 0.341368 Rb\n0.000000 0.000000 0.841368 Rb\n0.500000 0.500000 0.159105 Sr\n0.500000 0.000000 0.659105 Sr\n0.000000 0.240370 0.082257 Mg\n0.000000 0.759630 0.082257 Mg\n0.000000 0.000000 0.332730 Mg\n0.500000 0.770616 0.418310 Mg\n0.500000 0.229384 0.418310 Mg\n0.500000 0.000000 0.165662 Mg\n0.000000 0.740370 0.582257 Mg\n0.000000 0.259630 0.582257 Mg\n0.000000 0.500000 0.832730 Mg\n0.500000 0.270616 0.918310 Mg\n0.500000 0.729384 0.918310 Mg\n0.500000 0.500000 0.665662 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Rb",
"Sr",
"Mg"
],
"chemical_system": "Mg-Rb-Sr",
"density": 2.12827873391729,
"density_atomic": 0.03215071499074361,
"volume": 497.65611758887786,
"volume_molar": 18.73096993872084,
"formula_full": "Rb2 Sr2 Mg12",
"formula_reduced": "RbSrMg6",
"formula_anonymous": "ABC6",
"energy": -20.9606959,
"energy_per_atom": -1.31004349375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.9606959,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0065611,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:04.006000Z",
"spacegroup": 38
},
{
"id": "mp-1017180",
"created_at": "2022-09-04T14:40:06.785684Z",
"structure_string": "Mg12 Cd2 Bi2\n1.0\n5.381932 0.000000 0.000000\n0.000000 6.509686 0.000000\n0.000000 0.000000 10.922333\nMg Cd Bi\n12 2 2\ndirect\n0.500000 0.249525 0.583729 Mg\n0.500000 0.750475 0.583729 Mg\n0.000000 0.253802 0.417568 Mg\n0.000000 0.746198 0.417568 Mg\n0.000000 0.000000 0.666855 Mg\n0.000000 0.000000 0.164622 Mg\n0.500000 0.749525 0.083729 Mg\n0.500000 0.250475 0.083729 Mg\n0.000000 0.753802 0.917568 Mg\n0.000000 0.246198 0.917568 Mg\n0.000000 0.500000 0.166855 Mg\n0.000000 0.500000 0.664622 Mg\n0.500000 0.000000 0.832502 Cd\n0.500000 0.500000 0.332502 Cd\n0.500000 0.000000 0.333432 Bi\n0.500000 0.500000 0.833432 Bi\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Cd",
"Bi"
],
"chemical_system": "Bi-Cd-Mg",
"density": 4.0549748004691395,
"density_atomic": 0.041812518065511506,
"volume": 382.6605222610925,
"volume_molar": 14.40272205219633,
"formula_full": "Mg12 Cd2 Bi2",
"formula_reduced": "Mg6CdBi",
"formula_anonymous": "ABC6",
"energy": -29.35310427,
"energy_per_atom": -1.834569016875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.35310427,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0033774,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:45.662000Z",
"spacegroup": 38
},
{
"id": "mp-1017182",
"created_at": "2022-09-04T14:47:03.107390Z",
"structure_string": "Rb1 Mg6 W1\n1.0\n6.740546 0.000000 0.000000\n0.000000 6.740546 0.000000\n0.000000 0.000000 4.348825\nRb Mg W\n1 6 1\ndirect\n0.000000 0.000000 0.500000 Rb\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.707916 0.292084 0.000000 Mg\n0.292084 0.707916 0.000000 Mg\n0.707916 0.707916 0.000000 Mg\n0.292084 0.292084 0.000000 Mg\n0.500000 0.500000 0.500000 W\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Rb",
"Mg",
"W"
],
"chemical_system": "Mg-Rb-W",
"density": 3.4888258505971117,
"density_atomic": 0.04048814705224764,
"volume": 197.58869156636032,
"volume_molar": 14.873836414960584,
"formula_full": "Rb1 Mg6 W1",
"formula_reduced": "RbMg6W",
"formula_anonymous": "ABC6",
"energy": -19.58761009,
"energy_per_atom": -2.44845126125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.58761009,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007364,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:56.268000Z",
"spacegroup": 123
},
{
"id": "mp-1017183",
"created_at": "2022-09-04T14:39:21.863593Z",
"structure_string": "Rb2 Mg12 Cr2\n1.0\n5.354661 0.000000 0.000000\n0.000000 6.714104 0.000000\n0.000000 0.000000 11.603550\nRb Mg Cr\n2 12 2\ndirect\n0.500000 0.000000 0.834327 Rb\n0.500000 0.500000 0.334327 Rb\n0.500000 0.247696 0.582834 Mg\n0.500000 0.752304 0.582834 Mg\n0.000000 0.226210 0.419639 Mg\n0.000000 0.773790 0.419639 Mg\n0.000000 0.000000 0.655470 Mg\n0.000000 0.000000 0.170835 Mg\n0.500000 0.747696 0.082834 Mg\n0.500000 0.252304 0.082834 Mg\n0.000000 0.726210 0.919639 Mg\n0.000000 0.273790 0.919639 Mg\n0.000000 0.500000 0.155470 Mg\n0.000000 0.500000 0.670835 Mg\n0.500000 0.000000 0.334427 Cr\n0.500000 0.500000 0.834427 Cr\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Rb",
"Mg",
"Cr"
],
"chemical_system": "Cr-Mg-Rb",
"density": 2.2553055732570324,
"density_atomic": 0.038353858303789554,
"volume": 417.1679384449079,
"volume_molar": 15.70152528671407,
"formula_full": "Rb2 Mg12 Cr2",
"formula_reduced": "RbMg6Cr",
"formula_anonymous": "ABC6",
"energy": -33.68803787,
"energy_per_atom": -2.105502366875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.68803787,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.9117443,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:28.145000Z",
"spacegroup": 38
},
{
"id": "mp-1017184",
"created_at": "2022-09-04T14:42:12.251862Z",
"structure_string": "Mg12 Cd2 Bi2\n1.0\n5.418015 0.000000 0.000000\n0.000000 6.280296 0.000000\n0.000000 0.000000 11.195872\nMg Cd Bi\n12 2 2\ndirect\n0.000000 0.247433 0.083775 Mg\n0.000000 0.752567 0.083775 Mg\n0.000000 0.000000 0.331848 Mg\n0.500000 0.748929 0.412771 Mg\n0.500000 0.251071 0.412771 Mg\n0.500000 0.000000 0.167658 Mg\n0.000000 0.747433 0.583775 Mg\n0.000000 0.252567 0.583775 Mg\n0.000000 0.500000 0.831848 Mg\n0.500000 0.248929 0.912771 Mg\n0.500000 0.751071 0.912771 Mg\n0.500000 0.500000 0.667658 Mg\n0.000000 0.500000 0.348171 Cd\n0.000000 0.000000 0.848171 Cd\n0.500000 0.500000 0.159231 Bi\n0.500000 0.000000 0.659231 Bi\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Cd",
"Bi"
],
"chemical_system": "Bi-Cd-Mg",
"density": 4.073085987851866,
"density_atomic": 0.041999269990465646,
"volume": 380.9590024691429,
"volume_molar": 14.338679604114787,
"formula_full": "Mg12 Cd2 Bi2",
"formula_reduced": "Mg6CdBi",
"formula_anonymous": "ABC6",
"energy": -29.47933066,
"energy_per_atom": -1.84245816625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.47933066,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0036219,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:41.614000Z",
"spacegroup": 38
}
]
}