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=nelements&page=77",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nelements&page=75",
"results": [
{
"id": "mp-1319",
"created_at": "2022-09-04T14:46:53.776428Z",
"structure_string": "Zr2 Te2\n1.0\n1.867965 -3.235410 0.000000\n1.867965 3.235410 0.000000\n0.000000 0.000000 8.155712\nZr Te\n2 2\ndirect\n0.666667 0.333333 0.750000 Zr\n0.333333 0.666667 0.250000 Zr\n0.000000 0.000000 0.500000 Te\n0.000000 0.000000 0.000000 Te\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zr",
"Te"
],
"chemical_system": "Te-Zr",
"density": 7.371979359268993,
"density_atomic": 0.04057607702690243,
"volume": 98.58025450188178,
"volume_molar": 14.841604219173895,
"formula_full": "Zr2 Te2",
"formula_reduced": "ZrTe",
"formula_anonymous": "AB",
"energy": -26.72325756,
"energy_per_atom": -6.68081439,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.87925756,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.002327,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:36.871000Z",
"spacegroup": 194
},
{
"id": "mp-1206936",
"created_at": "2022-09-04T14:45:54.364919Z",
"structure_string": "La1 Pb2\n1.0\n4.132686 0.000000 0.000000\n0.000000 4.132686 0.000000\n-2.066343 -2.066343 5.638450\nLa Pb\n1 2\ndirect\n0.000000 0.000000 0.000000 La\n0.313605 0.313605 0.627211 Pb\n0.686395 0.686395 0.372789 Pb\n",
"nsites": 3,
"nelements": 2,
"elements": [
"La",
"Pb"
],
"chemical_system": "La-Pb",
"density": 9.54090363827238,
"density_atomic": 0.031152772467871067,
"volume": 96.2996151656808,
"volume_molar": 19.33099458871868,
"formula_full": "La1 Pb2",
"formula_reduced": "LaPb2",
"formula_anonymous": "AB2",
"energy": -13.27285225,
"energy_per_atom": -4.424284083333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.27285225,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2393444,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:14.805000Z",
"spacegroup": 139
},
{
"id": "mp-1079897",
"created_at": "2022-09-04T14:46:53.875602Z",
"structure_string": "Sm2 Al8\n1.0\n-2.238934 3.195406 6.880862\n2.238934 -3.195406 6.880862\n2.238934 3.195406 -6.880862\nSm Al\n2 8\ndirect\n0.136235 0.886235 0.250000 Sm\n0.863765 0.113765 0.750000 Sm\n0.500000 0.500000 0.000000 Al\n0.000000 0.500000 0.500000 Al\n0.363139 0.113139 0.250000 Al\n0.636861 0.886861 0.750000 Al\n0.659189 0.698220 0.960969 Al\n0.340811 0.301780 0.039031 Al\n0.762749 0.301780 0.460969 Al\n0.237251 0.698220 0.539031 Al\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Sm",
"Al"
],
"chemical_system": "Al-Sm",
"density": 4.356222383721393,
"density_atomic": 0.050784341202183315,
"volume": 196.91109037307115,
"volume_molar": 11.858263034317154,
"formula_full": "Sm2 Al8",
"formula_reduced": "SmAl4",
"formula_anonymous": "AB4",
"energy": -42.83320829,
"energy_per_atom": -4.283320829,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.83320829,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0061147,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:45.306000Z",
"spacegroup": 74
},
{
"id": "mp-1195",
"created_at": "2022-09-04T14:46:53.959949Z",
"structure_string": "Ba6 P28\n1.0\n13.250059 0.000000 0.000000\n0.000000 6.568550 0.000000\n0.000000 6.501160 10.347661\nBa P\n6 28\ndirect\n0.652757 0.182783 0.612424 Ba\n0.152757 0.817217 0.887576 Ba\n0.347243 0.817217 0.387576 Ba\n0.847243 0.182783 0.112424 Ba\n0.500000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ba\n0.847361 0.049442 0.848257 P\n0.347361 0.950558 0.651743 P\n0.152639 0.950558 0.151743 P\n0.652639 0.049442 0.348257 P\n0.487222 0.723725 0.686985 P\n0.987222 0.276275 0.813015 P\n0.682165 0.612957 0.053837 P\n0.182165 0.387043 0.446163 P\n0.317835 0.387043 0.946163 P\n0.817835 0.612957 0.553837 P\n0.587975 0.295577 0.143151 P\n0.087975 0.704423 0.356849 P\n0.412025 0.704423 0.856849 P\n0.912025 0.295577 0.643151 P\n0.714543 0.624703 0.226998 P\n0.214543 0.375297 0.273002 P\n0.285457 0.375297 0.773002 P\n0.785457 0.624703 0.726998 P\n0.563864 0.588669 0.313813 P\n0.063864 0.411331 0.186187 P\n0.436136 0.411331 0.686187 P\n0.936136 0.588669 0.813813 P\n0.775657 0.259728 0.355733 P\n0.275657 0.740272 0.144267 P\n0.224343 0.740272 0.644267 P\n0.724343 0.259728 0.855733 P\n0.012778 0.723725 0.186985 P\n0.512778 0.276275 0.313015 P\n",
"nsites": 34,
"nelements": 2,
"elements": [
"Ba",
"P"
],
"chemical_system": "Ba-P",
"density": 3.118326407814271,
"density_atomic": 0.037752820439218536,
"volume": 900.5949649441286,
"volume_molar": 15.951498960708257,
"formula_full": "Ba6 P28",
"formula_reduced": "Ba3P14",
"formula_anonymous": "A3B14",
"energy": -180.35384424,
"energy_per_atom": -5.304524830588235,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -180.35384424,
"band_gap": 1.7751,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0017857,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:46.707000Z",
"spacegroup": 14
},
{
"id": "mp-25349",
"created_at": "2022-09-04T14:46:54.104242Z",
"structure_string": "Mo1 O2\n1.0\n5.242297 -1.479109 0.000000\n5.242297 1.479109 0.000000\n4.824968 0.000000 2.527673\nMo O\n1 2\ndirect\n0.500000 0.500000 0.500000 Mo\n0.757964 0.757964 0.757964 O\n0.242036 0.242036 0.242036 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mo",
"O"
],
"chemical_system": "Mo-O",
"density": 5.419742881120965,
"density_atomic": 0.0765329701178944,
"volume": 39.1987923032215,
"volume_molar": 7.868688162400149,
"formula_full": "Mo1 O2",
"formula_reduced": "MoO2",
"formula_anonymous": "AB2",
"energy": -25.55306562,
"energy_per_atom": -8.51768854,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.97706562,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9999009,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:44.958000Z",
"spacegroup": 166
},
{
"id": "mp-704745",
"created_at": "2022-09-04T14:46:54.284729Z",
"structure_string": "Cu8 O1\n1.0\n2.757636 -3.650260 0.000000\n2.757636 3.650260 0.000000\n0.000000 0.000000 5.363335\nCu O\n8 1\ndirect\n0.569879 0.852352 0.000000 Cu\n0.147648 0.430121 0.000000 Cu\n0.635565 0.871135 0.500000 Cu\n0.128865 0.364435 0.500000 Cu\n0.622987 0.377013 0.735049 Cu\n0.622987 0.377013 0.264951 Cu\n0.142668 0.857332 0.283909 Cu\n0.142668 0.857332 0.716091 Cu\n0.986733 0.013267 0.000000 O\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Cu",
"O"
],
"chemical_system": "Cu-O",
"density": 8.064159736219928,
"density_atomic": 0.08335215834066163,
"volume": 107.97560830058956,
"volume_molar": 7.224936798141941,
"formula_full": "Cu8 O1",
"formula_reduced": "Cu8O",
"formula_anonymous": "AB8",
"energy": -38.00617539,
"energy_per_atom": -4.222908376666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.31917539,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.25e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:39.951000Z",
"spacegroup": 38
},
{
"id": "mp-1184501",
"created_at": "2022-09-04T14:46:54.206199Z",
"structure_string": "Gd2 Bi6\n1.0\n3.413755 -5.912797 0.000000\n3.413755 5.912797 0.000000\n0.000000 0.000000 6.101453\nGd Bi\n2 6\ndirect\n0.333333 0.666667 0.750000 Gd\n0.666667 0.333333 0.250000 Gd\n0.171577 0.343155 0.250000 Bi\n0.656845 0.828423 0.250000 Bi\n0.171577 0.828423 0.250000 Bi\n0.828423 0.656845 0.750000 Bi\n0.343155 0.171577 0.750000 Bi\n0.828423 0.171577 0.750000 Bi\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Gd",
"Bi"
],
"chemical_system": "Bi-Gd",
"density": 10.573346714074418,
"density_atomic": 0.03247890679642621,
"volume": 246.31370908334492,
"volume_molar": 18.54169784021992,
"formula_full": "Gd2 Bi6",
"formula_reduced": "GdBi3",
"formula_anonymous": "AB3",
"energy": -54.64211658,
"energy_per_atom": -6.8302645725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -54.64211658,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.9312344,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:43.369000Z",
"spacegroup": 194
},
{
"id": "mp-1204051",
"created_at": "2022-09-04T14:45:56.895376Z",
"structure_string": "Na8 O36\n1.0\n11.259898 0.000000 0.000000\n0.000000 5.202804 0.000000\n0.000000 3.989771 12.136834\nNa O\n8 36\ndirect\n0.116314 0.818795 0.599383 Na\n0.616314 0.181205 0.900617 Na\n0.883686 0.181205 0.400617 Na\n0.383686 0.818795 0.099383 Na\n0.675801 0.879288 0.669938 Na\n0.175801 0.120712 0.830062 Na\n0.324199 0.120712 0.330062 Na\n0.824199 0.879288 0.169938 Na\n0.920163 0.969057 0.598274 O\n0.420163 0.030943 0.901726 O\n0.079837 0.030943 0.401726 O\n0.579837 0.969057 0.098274 O\n0.413603 0.014720 0.802322 O\n0.913603 0.985280 0.697678 O\n0.586397 0.985280 0.197678 O\n0.086397 0.014720 0.302322 O\n0.767864 0.747186 0.879582 O\n0.267864 0.252814 0.620418 O\n0.232136 0.252814 0.120418 O\n0.732136 0.747186 0.379582 O\n0.049226 0.320546 0.572261 O\n0.549226 0.679454 0.927739 O\n0.950774 0.679454 0.427739 O\n0.450774 0.320546 0.072261 O\n0.443006 0.998471 0.503684 O\n0.943006 0.001529 0.996316 O\n0.556994 0.001529 0.496316 O\n0.056994 0.998471 0.003684 O\n0.212518 0.693014 0.803826 O\n0.712518 0.306986 0.696174 O\n0.787482 0.306986 0.196174 O\n0.287482 0.693014 0.303826 O\n0.610800 0.434091 0.681984 O\n0.110800 0.565909 0.818016 O\n0.389200 0.565909 0.318016 O\n0.889200 0.434091 0.181984 O\n0.867049 0.668333 0.921924 O\n0.367049 0.331667 0.578076 O\n0.132951 0.331667 0.078076 O\n0.632951 0.668333 0.421924 O\n0.523025 0.701848 0.827389 O\n0.023025 0.298152 0.672611 O\n0.476975 0.298152 0.172611 O\n0.976975 0.701848 0.327389 O\n",
"nsites": 44,
"nelements": 2,
"elements": [
"Na",
"O"
],
"chemical_system": "Na-O",
"density": 1.7747052695507446,
"density_atomic": 0.061883567563449496,
"volume": 711.0126602653702,
"volume_molar": 9.731405277863907,
"formula_full": "Na8 O36",
"formula_reduced": "Na2O9",
"formula_anonymous": "A2B9",
"energy": -210.06129136,
"energy_per_atom": -4.774120258181818,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -204.26529136,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 19.9928853,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:11.218000Z",
"spacegroup": 14
},
{
"id": "mp-22889",
"created_at": "2022-09-04T14:46:54.208926Z",
"structure_string": "Zn4 Cl8\n1.0\n6.357700 0.000000 0.000000\n0.000000 6.575851 0.000000\n0.000000 0.000000 8.095041\nZn Cl\n4 8\ndirect\n0.374696 0.576507 0.375085 Zn\n0.874696 0.423493 0.624915 Zn\n0.874696 0.923493 0.875085 Zn\n0.374696 0.076507 0.124915 Zn\n0.985905 0.590736 0.859199 Cl\n0.485905 0.409264 0.140801 Cl\n0.485905 0.909264 0.359199 Cl\n0.985905 0.090736 0.640801 Cl\n0.012299 0.063092 0.112431 Cl\n0.512299 0.936908 0.887569 Cl\n0.512299 0.436908 0.612431 Cl\n0.012299 0.563092 0.387569 Cl\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Zn",
"Cl"
],
"chemical_system": "Cl-Zn",
"density": 2.6753566689542145,
"density_atomic": 0.03545767035736658,
"volume": 338.43170967116055,
"volume_molar": 16.984028277393183,
"formula_full": "Zn4 Cl8",
"formula_reduced": "ZnCl2",
"formula_anonymous": "AB2",
"energy": -38.49967335,
"energy_per_atom": -3.2083061125000003,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.58767335,
"band_gap": 4.04,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 4.77e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:39.569000Z",
"spacegroup": 33
},
{
"id": "mp-1206711",
"created_at": "2022-09-04T14:46:08.829268Z",
"structure_string": "Sm1 F2\n1.0\n0.000000 2.867696 2.867696\n2.867696 0.000000 2.867696\n2.867696 2.867696 0.000000\nSm F\n1 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.250000 0.250000 0.250000 F\n0.750000 0.750000 0.750000 F\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Sm",
"F"
],
"chemical_system": "F-Sm",
"density": 6.631336839213577,
"density_atomic": 0.06360509819068308,
"volume": 47.16603048086234,
"volume_molar": 9.468015821540117,
"formula_full": "Sm1 F2",
"formula_reduced": "SmF2",
"formula_anonymous": "AB2",
"energy": -19.36561892,
"energy_per_atom": -6.455206306666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.44161892,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.8432568,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:26.592000Z",
"spacegroup": 225
},
{
"id": "mp-685155",
"created_at": "2022-09-04T14:46:54.392353Z",
"structure_string": "Zr2 Cl6\n1.0\n6.782675 -3.131558 0.000000\n6.782675 3.131558 0.000000\n5.336836 0.000000 5.227765\nZr Cl\n2 6\ndirect\n0.333343 0.333343 0.333343 Zr\n0.666657 0.666657 0.666657 Zr\n0.077343 0.416763 0.738459 Cl\n0.261541 0.922657 0.583237 Cl\n0.416763 0.738459 0.077343 Cl\n0.583237 0.261541 0.922657 Cl\n0.738459 0.077343 0.416763 Cl\n0.922657 0.583237 0.261541 Cl\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zr",
"Cl"
],
"chemical_system": "Cl-Zr",
"density": 2.954752769184344,
"density_atomic": 0.036023214736444154,
"volume": 222.0790137285143,
"volume_molar": 16.717388506438567,
"formula_full": "Zr2 Cl6",
"formula_reduced": "ZrCl3",
"formula_anonymous": "AB3",
"energy": -45.24767181,
"energy_per_atom": -5.65595897625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.56367181,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9976984,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:42.390000Z",
"spacegroup": 148
},
{
"id": "mp-1217743",
"created_at": "2022-09-04T14:46:54.421214Z",
"structure_string": "Tb12 Co9\n1.0\n5.642704 -9.773450 0.000000\n5.642704 9.773450 0.000000\n0.000000 0.000000 4.076281\nTb Co\n12 9\ndirect\n0.620148 0.485197 0.749865 Tb\n0.514803 0.134951 0.749865 Tb\n0.865049 0.379852 0.749865 Tb\n0.379852 0.514803 0.250135 Tb\n0.485197 0.865049 0.250135 Tb\n0.134951 0.620148 0.250135 Tb\n0.778236 0.024353 0.749609 Tb\n0.975647 0.753882 0.749609 Tb\n0.246118 0.221764 0.749609 Tb\n0.221764 0.975647 0.250391 Tb\n0.024353 0.246118 0.250391 Tb\n0.753882 0.778236 0.250391 Tb\n0.333333 0.666667 0.747971 Co\n0.666667 0.333333 0.252029 Co\n0.281251 0.842967 0.747374 Co\n0.157033 0.438285 0.747374 Co\n0.561715 0.718749 0.747374 Co\n0.718749 0.157033 0.252626 Co\n0.842967 0.561715 0.252626 Co\n0.438285 0.281251 0.252626 Co\n0.000000 0.000000 0.500000 Co\n",
"nsites": 21,
"nelements": 2,
"elements": [
"Tb",
"Co"
],
"chemical_system": "Co-Tb",
"density": 9.002538213515763,
"density_atomic": 0.046707865389805495,
"volume": 449.6030770137374,
"volume_molar": 12.893204837646893,
"formula_full": "Tb12 Co9",
"formula_reduced": "Tb4Co3",
"formula_anonymous": "A3B4",
"energy": -122.73660365,
"energy_per_atom": -5.844600173809524,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -122.73660365,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0034123,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:36.976000Z",
"spacegroup": 147
}
]
}