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=-density&page=57",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-density&page=55",
"results": [
{
"id": "mp-1220071",
"created_at": "2022-09-04T14:39:46.355637Z",
"structure_string": "Ni1 Ir1\n1.0\n4.242095 -1.338541 0.000000\n4.242095 1.338541 0.000000\n3.819735 0.000000 2.279625\nNi Ir\n1 1\ndirect\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ni",
"Ir"
],
"chemical_system": "Ir-Ni",
"density": 16.09393655787321,
"density_atomic": 0.07725463063110642,
"volume": 25.88841579671865,
"volume_molar": 7.795184199062362,
"formula_full": "Ni1 Ir1",
"formula_reduced": "NiIr",
"formula_anonymous": "AB",
"energy": -14.5935692,
"energy_per_atom": -7.2967846,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.5935692,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0341903,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.807000Z",
"spacegroup": 166
},
{
"id": "mp-867774",
"created_at": "2022-09-04T14:42:47.635672Z",
"structure_string": "Ta2 Cr1 Os1\n1.0\n0.000000 3.147140 3.147140\n3.147140 0.000000 3.147140\n3.147140 3.147140 0.000000\nTa Cr Os\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ta\n0.750000 0.750000 0.750000 Ta\n0.500000 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Cr",
"Os"
],
"chemical_system": "Cr-Os-Ta",
"density": 16.091460520808138,
"density_atomic": 0.06416257827437519,
"volume": 62.34163444765268,
"volume_molar": 9.385752446305732,
"formula_full": "Ta2 Cr1 Os1",
"formula_reduced": "Ta2CrOs",
"formula_anonymous": "ABC2",
"energy": -45.82957496,
"energy_per_atom": -11.45739374,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.82957496,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.7e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:50.744000Z",
"spacegroup": 225
},
{
"id": "mp-1025366",
"created_at": "2022-09-04T14:41:15.915256Z",
"structure_string": "Si1 Sb1 Pt5\n1.0\n3.996377 0.000000 0.000000\n0.000000 3.996377 0.000000\n0.000000 0.000000 7.273093\nSi Sb Pt\n1 1 5\ndirect\n0.000000 0.000000 0.500000 Si\n0.500000 0.500000 0.000000 Sb\n0.000000 0.500000 0.300405 Pt\n0.000000 0.500000 0.699595 Pt\n0.500000 0.000000 0.300405 Pt\n0.500000 0.000000 0.699595 Pt\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Si",
"Sb",
"Pt"
],
"chemical_system": "Pt-Sb-Si",
"density": 16.086147950197123,
"density_atomic": 0.060262340836917914,
"volume": 116.15878014004494,
"volume_molar": 9.99320749304633,
"formula_full": "Si1 Sb1 Pt5",
"formula_reduced": "SiSbPt5",
"formula_anonymous": "ABC5",
"energy": -42.99569029,
"energy_per_atom": -6.14224147,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.80369029,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0472318,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:14.451000Z",
"spacegroup": 123
},
{
"id": "mp-1195853",
"created_at": "2022-09-04T14:47:18.697114Z",
"structure_string": "La8 Ir28\n1.0\n2.699292 -4.675312 0.000000\n2.699292 4.675312 0.000000\n0.000000 0.000000 26.563353\nLa Ir\n8 28\ndirect\n0.333333 0.666667 0.471078 La\n0.666667 0.333333 0.528922 La\n0.666667 0.333333 0.971078 La\n0.333333 0.666667 0.028922 La\n0.333333 0.666667 0.325508 La\n0.666667 0.333333 0.674492 La\n0.666667 0.333333 0.825508 La\n0.333333 0.666667 0.174492 La\n0.000000 0.000000 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n0.832194 0.167806 0.250000 Ir\n0.832194 0.664388 0.250000 Ir\n0.335612 0.167806 0.250000 Ir\n0.167806 0.832194 0.750000 Ir\n0.167806 0.335612 0.750000 Ir\n0.664388 0.832194 0.750000 Ir\n0.834336 0.165664 0.412934 Ir\n0.834336 0.668673 0.412934 Ir\n0.331327 0.165664 0.412934 Ir\n0.165664 0.834336 0.587066 Ir\n0.165664 0.331327 0.587066 Ir\n0.668673 0.834336 0.587066 Ir\n0.165664 0.834336 0.912934 Ir\n0.165664 0.331327 0.912934 Ir\n0.668673 0.834336 0.912934 Ir\n0.834336 0.165664 0.087066 Ir\n0.834336 0.668673 0.087066 Ir\n0.331327 0.165664 0.087066 Ir\n0.000000 0.000000 0.331814 Ir\n0.000000 0.000000 0.668186 Ir\n0.000000 0.000000 0.831814 Ir\n0.000000 0.000000 0.168186 Ir\n0.333333 0.666667 0.666624 Ir\n0.666667 0.333333 0.333376 Ir\n0.666667 0.333333 0.166624 Ir\n0.333333 0.666667 0.833376 Ir\n",
"nsites": 36,
"nelements": 2,
"elements": [
"La",
"Ir"
],
"chemical_system": "Ir-La",
"density": 16.082091636548956,
"density_atomic": 0.053694418785614734,
"volume": 670.460744602468,
"volume_molar": 11.215580494584646,
"formula_full": "La8 Ir28",
"formula_reduced": "La2Ir7",
"formula_anonymous": "A2B7",
"energy": -304.14015078,
"energy_per_atom": -8.448337521666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -304.14015078,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0202086,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:03.730000Z",
"spacegroup": 194
},
{
"id": "mp-1186761",
"created_at": "2022-09-04T14:42:09.837828Z",
"structure_string": "Ta2 Mn1 Re1\n1.0\n0.000000 3.146103 3.146103\n3.146103 0.000000 3.146103\n3.146103 3.146103 0.000000\nTa Mn Re\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ta\n0.750000 0.750000 0.750000 Ta\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Re\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Mn",
"Re"
],
"chemical_system": "Mn-Re-Ta",
"density": 16.07855409377888,
"density_atomic": 0.06422604586664554,
"volume": 62.28002901354568,
"volume_molar": 9.3764775314114,
"formula_full": "Ta2 Mn1 Re1",
"formula_reduced": "Ta2MnRe",
"formula_anonymous": "ABC2",
"energy": -46.61472511,
"energy_per_atom": -11.6536812775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.61472511,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.45e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:39.730000Z",
"spacegroup": 225
},
{
"id": "mp-972405",
"created_at": "2022-09-04T14:42:28.739190Z",
"structure_string": "U3 Cl1\n1.0\n-2.040151 2.040151 4.650038\n2.040151 -2.040151 4.650038\n2.040151 2.040151 -4.650038\nU Cl\n3 1\ndirect\n0.750000 0.250000 0.500000 U\n0.250000 0.750000 0.500000 U\n0.500000 0.500000 0.000000 U\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"U",
"Cl"
],
"chemical_system": "Cl-U",
"density": 16.076912091511947,
"density_atomic": 0.05166766950949431,
"volume": 77.41785216894621,
"volume_molar": 11.655530077456634,
"formula_full": "U3 Cl1",
"formula_reduced": "U3Cl",
"formula_anonymous": "AB3",
"energy": -35.30878996,
"energy_per_atom": -8.82719749,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.69478996,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0818901,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:50.935000Z",
"spacegroup": 139
},
{
"id": "mp-1066577",
"created_at": "2022-09-04T14:40:32.359250Z",
"structure_string": "Np2 Pt2\n1.0\n1.913021 -5.299038 0.000000\n1.913021 5.299038 0.000000\n0.000000 0.000000 4.403672\nNp Pt\n2 2\ndirect\n0.858456 0.141544 0.750000 Np\n0.141544 0.858456 0.250000 Np\n0.588686 0.411314 0.750000 Pt\n0.411314 0.588686 0.250000 Pt\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Np",
"Pt"
],
"chemical_system": "Np-Pt",
"density": 16.072578183454205,
"density_atomic": 0.04480208858940175,
"volume": 89.28155195305399,
"volume_molar": 13.441651828313601,
"formula_full": "Np2 Pt2",
"formula_reduced": "NpPt",
"formula_anonymous": "AB",
"energy": -39.85966598,
"energy_per_atom": -9.964916495,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.85966598,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.073949,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:02.429000Z",
"spacegroup": 63
},
{
"id": "mp-1196935",
"created_at": "2022-09-04T14:46:22.171723Z",
"structure_string": "U4 B16 Os16\n1.0\n-3.773770 3.773770 7.561525\n3.773770 -3.773770 7.561525\n3.773770 3.773770 -7.561525\nU B Os\n4 16 16\ndirect\n0.250000 0.250000 0.000000 U\n0.750000 0.750000 0.000000 U\n0.500000 0.000000 0.500000 U\n0.000000 0.500000 0.500000 U\n0.225479 0.912841 0.973519 B\n0.725479 0.751959 0.312638 B\n0.162841 0.975479 0.473519 B\n0.662841 0.189321 0.187362 B\n0.524521 0.337159 0.526481 B\n0.024521 0.498041 0.187362 B\n0.587159 0.274521 0.026481 B\n0.087159 0.060679 0.312638 B\n0.439321 0.412841 0.687362 B\n0.939321 0.251959 0.026481 B\n0.001959 0.475479 0.812638 B\n0.501959 0.689321 0.526481 B\n0.310679 0.837159 0.812638 B\n0.810679 0.998041 0.473519 B\n0.748041 0.774521 0.687362 B\n0.248041 0.560679 0.973519 B\n0.536883 0.074516 0.236233 Os\n0.036883 0.800650 0.462368 Os\n0.324516 0.286883 0.736233 Os\n0.824516 0.088282 0.037632 Os\n0.213117 0.175484 0.263767 Os\n0.713117 0.449350 0.037632 Os\n0.425484 0.963117 0.763767 Os\n0.925484 0.161718 0.462368 Os\n0.338282 0.574516 0.537632 Os\n0.838282 0.300650 0.763767 Os\n0.050650 0.786883 0.962368 Os\n0.550650 0.588282 0.263767 Os\n0.411718 0.675484 0.962368 Os\n0.911718 0.949350 0.736233 Os\n0.699350 0.463117 0.537632 Os\n0.199350 0.661718 0.236233 Os\n",
"nsites": 36,
"nelements": 3,
"elements": [
"U",
"B",
"Os"
],
"chemical_system": "B-Os-U",
"density": 16.07078030328946,
"density_atomic": 0.0835761308610331,
"volume": 430.7449941641746,
"volume_molar": 7.205574962561218,
"formula_full": "U4 B16 Os16",
"formula_reduced": "U(BOs)4",
"formula_anonymous": "AB4C4",
"energy": -341.37526748000005,
"energy_per_atom": -9.48264631888889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -341.37526748000005,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0073779,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:31.098000Z",
"spacegroup": 142
},
{
"id": "mp-12565",
"created_at": "2022-09-04T14:42:22.541587Z",
"structure_string": "Mn1 Au4\n1.0\n-3.273947 3.273947 2.031360\n3.273947 -3.273947 2.031360\n3.273947 3.273947 -2.031360\nMn Au\n1 4\ndirect\n0.000000 0.000000 0.000000 Mn\n0.602541 0.795703 0.398244 Au\n0.397459 0.204297 0.601756 Au\n0.204297 0.602541 0.806838 Au\n0.795703 0.397459 0.193162 Au\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Mn",
"Au"
],
"chemical_system": "Au-Mn",
"density": 16.068882462917408,
"density_atomic": 0.05740897956373046,
"volume": 87.09438903106499,
"volume_molar": 10.489893403025468,
"formula_full": "Mn1 Au4",
"formula_reduced": "MnAu4",
"formula_anonymous": "AB4",
"energy": -22.64529068,
"energy_per_atom": -4.529058136,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.64529068,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0396414,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:44.631000Z",
"spacegroup": 87
},
{
"id": "mp-972551",
"created_at": "2022-09-04T14:44:13.352718Z",
"structure_string": "U6 Nb2\n1.0\n2.965359 -5.136152 0.000000\n2.965359 5.136152 0.000000\n0.000000 0.000000 5.475490\nU Nb\n6 2\ndirect\n0.822821 0.177179 0.750000 U\n0.354359 0.177179 0.750000 U\n0.822821 0.645641 0.750000 U\n0.177179 0.822821 0.250000 U\n0.645641 0.822821 0.250000 U\n0.177179 0.354359 0.250000 U\n0.666667 0.333333 0.250000 Nb\n0.333333 0.666667 0.750000 Nb\n",
"nsites": 8,
"nelements": 2,
"elements": [
"U",
"Nb"
],
"chemical_system": "Nb-U",
"density": 16.068701668754734,
"density_atomic": 0.04796471350945182,
"volume": 166.789279340187,
"volume_molar": 12.555356468069576,
"formula_full": "U6 Nb2",
"formula_reduced": "U3Nb",
"formula_anonymous": "AB3",
"energy": -85.2189538,
"energy_per_atom": -10.652369225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -85.2189538,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2872577,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:27.535000Z",
"spacegroup": 194
},
{
"id": "mp-1213024",
"created_at": "2022-09-04T14:45:59.315515Z",
"structure_string": "Er4 Ge6 Pt18\n1.0\n3.918022 6.757041 0.000000\n-3.918022 6.757041 0.000000\n0.000000 4.536102 9.010340\nEr Ge Pt\n4 6 18\ndirect\n0.415672 0.244351 0.250690 Er\n0.584328 0.755649 0.749310 Er\n0.755649 0.584328 0.249310 Er\n0.244351 0.415672 0.750690 Er\n0.500000 0.000000 0.000000 Ge\n0.000000 0.500000 0.500000 Ge\n0.639185 0.181750 0.497826 Ge\n0.360815 0.818250 0.502174 Ge\n0.818250 0.360815 0.002174 Ge\n0.181750 0.639185 0.997826 Ge\n0.296575 0.916173 0.256638 Pt\n0.703425 0.083827 0.743362 Pt\n0.083827 0.703425 0.243362 Pt\n0.916173 0.296575 0.756638 Pt\n0.478037 0.639498 0.077959 Pt\n0.521963 0.360502 0.922041 Pt\n0.360502 0.521963 0.422041 Pt\n0.639498 0.478037 0.577959 Pt\n0.865361 0.134639 0.250000 Pt\n0.134639 0.865361 0.750000 Pt\n0.800287 0.979353 0.072056 Pt\n0.199713 0.020647 0.927944 Pt\n0.020647 0.199713 0.427944 Pt\n0.979353 0.800287 0.572056 Pt\n0.693071 0.860047 0.421243 Pt\n0.306929 0.139953 0.578757 Pt\n0.139953 0.306929 0.078757 Pt\n0.860047 0.693071 0.921243 Pt\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Er",
"Ge",
"Pt"
],
"chemical_system": "Er-Ge-Pt",
"density": 16.067814221552673,
"density_atomic": 0.05868990846247014,
"volume": 477.08372245809323,
"volume_molar": 10.260947610526465,
"formula_full": "Er4 Ge6 Pt18",
"formula_reduced": "Er2(GePt3)3",
"formula_anonymous": "A2B3C9",
"energy": -177.15828064,
"energy_per_atom": -6.327081451428571,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -177.15828064,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006837,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:12.214000Z",
"spacegroup": 15
},
{
"id": "mp-1009694",
"created_at": "2022-09-04T14:48:01.104379Z",
"structure_string": "Re1 N1\n1.0\n0.000000 2.179033 2.179033\n2.179033 0.000000 2.179033\n2.179033 2.179033 0.000000\nRe N\n1 1\ndirect\n0.000000 0.000000 0.000000 Re\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Re",
"N"
],
"chemical_system": "N-Re",
"density": 16.06650713347729,
"density_atomic": 0.09665149538995656,
"volume": 20.692902804355658,
"volume_molar": 6.230778671041426,
"formula_full": "Re1 N1",
"formula_reduced": "ReN",
"formula_anonymous": "AB",
"energy": -19.03797118,
"energy_per_atom": -9.51898559,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.67697118,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002657,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:30.745000Z",
"spacegroup": 225
}
]
}