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=1724",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-chemical_system&page=1722",
"results": [
{
"id": "mp-1094473",
"created_at": "2022-09-04T14:47:28.355517Z",
"structure_string": "Mg5 Zn1\n1.0\n2.673711 -4.631003 0.000000\n2.673711 4.631003 0.000000\n0.000000 0.000000 5.134843\nMg Zn\n5 1\ndirect\n0.000000 0.672018 0.500000 Mg\n0.672018 0.000000 0.500000 Mg\n0.327982 0.327982 0.500000 Mg\n0.666667 0.333333 0.000000 Mg\n0.333333 0.666667 0.000000 Mg\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Zn"
],
"chemical_system": "Mg-Zn",
"density": 2.441128866703584,
"density_atomic": 0.04718506527545085,
"volume": 127.158878873516,
"volume_molar": 12.76281112433506,
"formula_full": "Mg5 Zn1",
"formula_reduced": "Mg5Zn",
"formula_anonymous": "AB5",
"energy": -9.26079162,
"energy_per_atom": -1.5434652699999998,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.26079162,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008131,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:13.640000Z",
"spacegroup": 189
},
{
"id": "mp-1094436",
"created_at": "2022-09-04T14:48:03.247654Z",
"structure_string": "Mg2 Zn4\n1.0\n1.493382 -2.586613 0.000000\n1.493382 2.586613 0.000000\n0.000000 0.000000 13.526458\nMg Zn\n2 4\ndirect\n0.333333 0.666667 0.750000 Mg\n0.666667 0.333333 0.250000 Mg\n0.666667 0.333333 0.922991 Zn\n0.666667 0.333333 0.577009 Zn\n0.333333 0.666667 0.422991 Zn\n0.333333 0.666667 0.077009 Zn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Zn"
],
"chemical_system": "Mg-Zn",
"density": 4.929908240892545,
"density_atomic": 0.0574162465349406,
"volume": 104.500038962817,
"volume_molar": 10.48856573432614,
"formula_full": "Mg2 Zn4",
"formula_reduced": "MgZn2",
"formula_anonymous": "AB2",
"energy": -8.15838121,
"energy_per_atom": -1.3597302016666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.15838121,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.00059,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:21.839000Z",
"spacegroup": 194
},
{
"id": "mp-1094433",
"created_at": "2022-09-04T14:44:56.961313Z",
"structure_string": "Mg3 Zn1\n1.0\n-2.227952 2.227952 4.116959\n2.227952 -2.227952 4.116959\n2.227952 2.227952 -4.116959\nMg Zn\n3 1\ndirect\n0.500000 0.500000 0.000000 Mg\n0.250000 0.750000 0.500000 Mg\n0.750000 0.250000 0.500000 Mg\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Zn"
],
"chemical_system": "Mg-Zn",
"density": 2.8099490376955756,
"density_atomic": 0.048934121741063444,
"volume": 81.74255218405952,
"volume_molar": 12.306628883351296,
"formula_full": "Mg3 Zn1",
"formula_reduced": "Mg3Zn",
"formula_anonymous": "AB3",
"energy": -6.10788581,
"energy_per_atom": -1.5269714525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.10788581,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0035085,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:50.834000Z",
"spacegroup": 139
},
{
"id": "mp-1094435",
"created_at": "2022-09-04T14:45:55.529728Z",
"structure_string": "Mg3 Zn3\n1.0\n1.498655 5.581686 0.000000\n-1.498655 5.581686 0.000000\n0.000000 1.647892 6.535802\nMg Zn\n3 3\ndirect\n0.991647 0.991647 0.022615 Mg\n0.945908 0.945908 0.592412 Mg\n0.673336 0.673336 0.665651 Mg\n0.622135 0.622135 0.269905 Zn\n0.325037 0.325037 0.328125 Zn\n0.275271 0.275271 0.954625 Zn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Zn"
],
"chemical_system": "Mg-Zn",
"density": 4.087282180140631,
"density_atomic": 0.05487256977317406,
"volume": 109.34425022925137,
"volume_molar": 10.974774436286902,
"formula_full": "Mg3 Zn3",
"formula_reduced": "MgZn",
"formula_anonymous": "AB",
"energy": -8.73715465,
"energy_per_atom": -1.4561924416666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.73715465,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002761,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:13.912000Z",
"spacegroup": 8
},
{
"id": "mp-1094430",
"created_at": "2022-09-04T14:44:28.141223Z",
"structure_string": "Mg1 Zn3\n1.0\n-1.460979 2.423608 4.695450\n1.460979 -2.423608 4.695450\n1.460979 2.423608 -4.695450\nMg Zn\n1 3\ndirect\n0.336646 0.000000 0.336646 Mg\n0.830951 0.500000 0.330951 Zn\n0.248101 0.248567 0.999534 Zn\n0.750968 0.751433 0.999534 Zn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Zn"
],
"chemical_system": "Mg-Zn",
"density": 5.506519114635221,
"density_atomic": 0.060147340462923506,
"volume": 66.50335607882299,
"volume_molar": 10.012314282976844,
"formula_full": "Mg1 Zn3",
"formula_reduced": "MgZn3",
"formula_anonymous": "AB3",
"energy": -5.46385219,
"energy_per_atom": -1.3659630475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.46385219,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.68e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:37.050000Z",
"spacegroup": 44
},
{
"id": "mp-1094465",
"created_at": "2022-09-04T14:44:22.975216Z",
"structure_string": "Mg4 Zn2\n1.0\n1.547520 -7.926486 0.000000\n1.547521 7.926486 0.000000\n0.000000 0.000000 4.855972\nMg Zn\n4 2\ndirect\n0.002770 0.997230 0.000000 Mg\n0.330715 0.669285 0.000000 Mg\n0.666476 0.333524 0.000000 Mg\n0.444653 0.555347 0.500000 Mg\n0.112841 0.887159 0.500000 Zn\n0.775877 0.224123 0.500000 Zn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Zn"
],
"chemical_system": "Mg-Zn",
"density": 3.178579247144115,
"density_atomic": 0.05036489966513924,
"volume": 119.1305857828003,
"volume_molar": 11.957019273421304,
"formula_full": "Mg4 Zn2",
"formula_reduced": "Mg2Zn",
"formula_anonymous": "AB2",
"energy": -9.00322858,
"energy_per_atom": -1.5005380966666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.00322858,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002819,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:38.644000Z",
"spacegroup": 38
},
{
"id": "mp-1094425",
"created_at": "2022-09-04T14:44:14.721420Z",
"structure_string": "Mg5 Zn1\n1.0\n5.614180 -2.629018 0.000000\n5.614180 2.629018 0.000000\n4.383058 0.000000 4.384010\nMg Zn\n5 1\ndirect\n0.338430 0.000000 0.661570 Mg\n0.832793 0.832793 0.832793 Mg\n0.000000 0.661570 0.338430 Mg\n0.661570 0.338430 0.000000 Mg\n0.167207 0.167207 0.167207 Mg\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Zn"
],
"chemical_system": "Mg-Zn",
"density": 2.398589744440542,
"density_atomic": 0.04636281812245539,
"volume": 129.4140486489098,
"volume_molar": 12.989160288087048,
"formula_full": "Mg5 Zn1",
"formula_reduced": "Mg5Zn",
"formula_anonymous": "AB5",
"energy": -9.25085349,
"energy_per_atom": -1.541808915,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.25085349,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007024,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:29.100000Z",
"spacegroup": 155
},
{
"id": "mp-1094458",
"created_at": "2022-09-04T14:44:11.870255Z",
"structure_string": "Mg4 Zn2\n1.0\n1.531882 5.800778 0.000000\n-1.531882 5.800778 0.000000\n0.000000 1.915781 6.733536\nMg Zn\n4 2\ndirect\n0.301365 0.301365 0.155468 Mg\n0.025264 0.025264 0.218592 Mg\n0.974736 0.974736 0.781408 Mg\n0.698635 0.698635 0.844532 Mg\n0.641550 0.641550 0.474361 Zn\n0.358450 0.358450 0.525639 Zn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Zn"
],
"chemical_system": "Mg-Zn",
"density": 3.1642557697439377,
"density_atomic": 0.050137942762062494,
"volume": 119.66984821204063,
"volume_molar": 12.011144511012384,
"formula_full": "Mg4 Zn2",
"formula_reduced": "Mg2Zn",
"formula_anonymous": "AB2",
"energy": -8.98525055,
"energy_per_atom": -1.4975417583333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.98525055,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009676,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:33.254000Z",
"spacegroup": 12
},
{
"id": "mp-1022847",
"created_at": "2022-09-04T14:43:23.816248Z",
"structure_string": "Y2 Mg12 Zr2\n1.0\n5.183845 0.000000 0.000000\n0.000000 6.551615 0.000000\n0.000000 0.000000 11.386680\nY Mg Zr\n2 12 2\ndirect\n0.000000 0.500000 0.331602 Y\n0.000000 0.000000 0.831602 Y\n0.000000 0.257225 0.084534 Mg\n0.000000 0.742775 0.084534 Mg\n0.000000 0.000000 0.335040 Mg\n0.500000 0.751879 0.417381 Mg\n0.500000 0.248121 0.417381 Mg\n0.500000 0.000000 0.165158 Mg\n0.000000 0.757225 0.584534 Mg\n0.000000 0.242775 0.584534 Mg\n0.000000 0.500000 0.835040 Mg\n0.500000 0.251879 0.917381 Mg\n0.500000 0.748121 0.917381 Mg\n0.500000 0.500000 0.665158 Mg\n0.500000 0.500000 0.164370 Zr\n0.500000 0.000000 0.664370 Zr\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Y",
"Mg",
"Zr"
],
"chemical_system": "Mg-Y-Zr",
"density": 2.7992759351111203,
"density_atomic": 0.04137352183257032,
"volume": 386.72076466558815,
"volume_molar": 14.555542997693788,
"formula_full": "Y2 Mg12 Zr2",
"formula_reduced": "YMg6Zr",
"formula_anonymous": "ABC6",
"energy": -48.27012961,
"energy_per_atom": -3.016883100625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.27012961,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.7141357,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:12.340000Z",
"spacegroup": 38
},
{
"id": "mp-1028085",
"created_at": "2022-09-04T14:43:10.384910Z",
"structure_string": "Y1 Mg14 Zr1\n1.0\n6.535950 0.000000 -0.000000\n-3.267975 5.660298 0.000000\n0.000000 -0.000000 10.185515\nY Mg Zr\n1 14 1\ndirect\n0.166667 0.333333 0.125000 Y\n0.171688 0.835844 0.125000 Mg\n0.169356 0.834677 0.625000 Mg\n0.664156 0.328312 0.125000 Mg\n0.665323 0.330644 0.625000 Mg\n0.664156 0.835844 0.125000 Mg\n0.665323 0.834677 0.625000 Mg\n0.333556 0.166444 0.378994 Mg\n0.333556 0.166444 0.871006 Mg\n0.333556 0.667114 0.378994 Mg\n0.333556 0.667114 0.871006 Mg\n0.832886 0.166444 0.378994 Mg\n0.832886 0.166444 0.871006 Mg\n0.833333 0.666667 0.373839 Mg\n0.833333 0.666667 0.876161 Mg\n0.166667 0.333333 0.625000 Zr\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Y",
"Mg",
"Zr"
],
"chemical_system": "Mg-Y-Zr",
"density": 2.293270318301355,
"density_atomic": 0.04246087822604359,
"volume": 376.8174533466508,
"volume_molar": 14.18279840548915,
"formula_full": "Y1 Mg14 Zr1",
"formula_reduced": "YMg14Zr",
"formula_anonymous": "ABC14",
"energy": -36.82314859,
"energy_per_atom": -2.301446786875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.82314859,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.7305886,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.838000Z",
"spacegroup": 187
},
{
"id": "mp-1028086",
"created_at": "2022-09-04T14:45:15.704090Z",
"structure_string": "Y1 Mg14 Zr1\n1.0\n6.528620 0.051037 0.000000\n-3.220111 5.577395 0.000000\n0.000000 0.000000 10.356722\nY Mg Zr\n1 14 1\ndirect\n0.167541 0.333770 0.125000 Y\n0.166207 0.333103 0.625000 Mg\n0.165784 0.832891 0.625000 Mg\n0.664500 0.331871 0.125000 Mg\n0.666691 0.333745 0.625000 Mg\n0.664500 0.832627 0.125000 Mg\n0.666691 0.832946 0.625000 Mg\n0.333763 0.163150 0.378115 Mg\n0.333763 0.163150 0.871885 Mg\n0.333763 0.670614 0.378115 Mg\n0.333763 0.670614 0.871885 Mg\n0.830056 0.165028 0.378141 Mg\n0.830056 0.165028 0.871859 Mg\n0.835251 0.667626 0.373186 Mg\n0.835251 0.667626 0.876814 Mg\n0.172421 0.836210 0.125000 Zr\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Y",
"Mg",
"Zr"
],
"chemical_system": "Mg-Y-Zr",
"density": 2.281158255482368,
"density_atomic": 0.04223661821608361,
"volume": 378.8182074176392,
"volume_molar": 14.25810354699937,
"formula_full": "Y1 Mg14 Zr1",
"formula_reduced": "YMg14Zr",
"formula_anonymous": "ABC14",
"energy": -37.09062802,
"energy_per_atom": -2.31816425125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.09062802,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006676,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:55.066000Z",
"spacegroup": 38
},
{
"id": "mp-1022923",
"created_at": "2022-09-04T14:39:34.523635Z",
"structure_string": "Y1 Mg6 Zr1\n1.0\n4.237344 -4.759069 0.000000\n4.237344 4.759069 0.000000\n0.000000 0.000000 4.707327\nY Mg Zr\n1 6 1\ndirect\n0.500000 0.500000 0.500000 Y\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.759258 0.759258 0.000000 Mg\n0.240742 0.240742 0.000000 Mg\n0.756941 0.243059 0.000000 Mg\n0.243059 0.756941 0.000000 Mg\n0.000000 0.000000 0.500000 Zr\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Y",
"Mg",
"Zr"
],
"chemical_system": "Mg-Y-Zr",
"density": 2.850973094087274,
"density_atomic": 0.04213760997006108,
"volume": 189.8541470596939,
"volume_molar": 14.29160496829021,
"formula_full": "Y1 Mg6 Zr1",
"formula_reduced": "YMg6Zr",
"formula_anonymous": "ABC6",
"energy": -24.71064839,
"energy_per_atom": -3.08883104875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.71064839,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0030582,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:28.353000Z",
"spacegroup": 65
}
]
}