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=12156",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=chemical_system&page=12154",
"results": [
{
"id": "mp-1188053",
"created_at": "2022-09-04T14:43:40.425583Z",
"structure_string": "Zr6 Ta2\n1.0\n3.153045 -5.461234 0.000000\n3.153045 5.461234 0.000000\n0.000000 0.000000 5.150982\nZr Ta\n6 2\ndirect\n0.171203 0.342405 0.250000 Zr\n0.657595 0.828797 0.250000 Zr\n0.171203 0.828797 0.250000 Zr\n0.828797 0.657595 0.750000 Zr\n0.342405 0.171203 0.750000 Zr\n0.828797 0.171203 0.750000 Zr\n0.333333 0.666667 0.750000 Ta\n0.666667 0.333333 0.250000 Ta\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zr",
"Ta"
],
"chemical_system": "Ta-Zr",
"density": 8.511116474236113,
"density_atomic": 0.0450971404508905,
"volume": 177.394839673078,
"volume_molar": 13.35370868261135,
"formula_full": "Zr6 Ta2",
"formula_reduced": "Zr3Ta",
"formula_anonymous": "AB3",
"energy": -73.77566981,
"energy_per_atom": -9.22195872625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -73.77566981,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002008,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:14.890000Z",
"spacegroup": 194
},
{
"id": "mp-1188024",
"created_at": "2022-09-04T14:45:31.038091Z",
"structure_string": "Zr3 Ta1\n1.0\n4.453906 0.000000 0.000000\n0.000000 4.453906 0.000000\n0.000000 0.000000 4.453906\nZr Ta\n3 1\ndirect\n0.000000 0.500000 0.500000 Zr\n0.500000 0.000000 0.500000 Zr\n0.500000 0.500000 0.000000 Zr\n0.000000 0.000000 0.000000 Ta\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zr",
"Ta"
],
"chemical_system": "Ta-Zr",
"density": 8.544258507777158,
"density_atomic": 0.045272747369906705,
"volume": 88.35337443335379,
"volume_molar": 13.301911436466044,
"formula_full": "Zr3 Ta1",
"formula_reduced": "Zr3Ta",
"formula_anonymous": "AB3",
"energy": -36.84339227,
"energy_per_atom": -9.2108480675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.84339227,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0037615,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:59.580000Z",
"spacegroup": 221
},
{
"id": "mp-11698",
"created_at": "2022-09-04T14:43:21.295787Z",
"structure_string": "Tb3\n1.0\n8.716770 -1.791541 0.000000\n8.716770 1.791541 0.000000\n8.348557 0.000000 3.081117\nTb\n3\ndirect\n0.000000 0.000000 0.000000 Tb\n0.777736 0.777736 0.777736 Tb\n0.222264 0.222264 0.222264 Tb\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Tb"
],
"chemical_system": "Tb",
"density": 8.227028549557538,
"density_atomic": 0.031174588559405778,
"volume": 96.23222434141351,
"volume_molar": 19.31746668772968,
"formula_full": "Tb3",
"formula_reduced": "Tb",
"formula_anonymous": "A",
"energy": -13.9030983,
"energy_per_atom": -4.6343661,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.9030983,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0155498,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:13.248000Z",
"spacegroup": 166
},
{
"id": "mp-7163",
"created_at": "2022-09-04T14:40:14.908624Z",
"structure_string": "Tb1\n1.0\n0.000000 2.517929 2.517929\n2.517929 0.000000 2.517929\n2.517929 2.517929 0.000000\nTb\n1\ndirect\n0.000000 0.000000 0.000000 Tb\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Tb"
],
"chemical_system": "Tb",
"density": 8.265741875915388,
"density_atomic": 0.03132128454006295,
"volume": 31.927170762134715,
"volume_molar": 19.226991639813175,
"formula_full": "Tb1",
"formula_reduced": "Tb",
"formula_anonymous": "A",
"energy": -4.61548096,
"energy_per_atom": -4.61548096,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.61548096,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0023243,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:54.487000Z",
"spacegroup": 225
},
{
"id": "mp-18",
"created_at": "2022-09-04T14:44:18.480501Z",
"structure_string": "Tb2\n1.0\n1.820192 -3.152665 0.000000\n1.820192 3.152665 0.000000\n0.000000 0.000000 5.663585\nTb\n2\ndirect\n0.333333 0.666667 0.250000 Tb\n0.666667 0.333333 0.750000 Tb\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Tb"
],
"chemical_system": "Tb",
"density": 8.119996172618224,
"density_atomic": 0.03076901195376755,
"volume": 65.00046225095335,
"volume_molar": 19.572096657015376,
"formula_full": "Tb2",
"formula_reduced": "Tb",
"formula_anonymous": "A",
"energy": -9.23090965,
"energy_per_atom": -4.615454825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.23090965,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000713,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:36.991000Z",
"spacegroup": 194
},
{
"id": "mp-11446",
"created_at": "2022-09-04T14:43:06.138768Z",
"structure_string": "Tb1\n1.0\n-2.010000 2.010000 2.010000\n2.010000 -2.010000 2.010000\n2.010000 2.010000 -2.010000\nTb\n1\ndirect\n0.000000 0.000000 0.000000 Tb\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Tb"
],
"chemical_system": "Tb",
"density": 8.124452622043565,
"density_atomic": 0.030785898728431564,
"volume": 32.48240399999999,
"volume_molar": 19.561360911118697,
"formula_full": "Tb1",
"formula_reduced": "Tb",
"formula_anonymous": "A",
"energy": -4.48633589,
"energy_per_atom": -4.48633589,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.48633589,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.036963,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:58.587000Z",
"spacegroup": 229
},
{
"id": "mp-571249",
"created_at": "2022-09-04T14:41:17.143612Z",
"structure_string": "Tb6\n1.0\n1.788050 -3.096993 0.000000\n1.788050 3.096993 0.000000\n0.000000 0.000000 17.367122\nTb\n6\ndirect\n0.666667 0.333333 0.916738 Tb\n0.000000 0.000000 0.250000 Tb\n0.666667 0.333333 0.583262 Tb\n0.333333 0.666667 0.416738 Tb\n0.000000 0.000000 0.750000 Tb\n0.333333 0.666667 0.083262 Tb\n",
"nsites": 6,
"nelements": 1,
"elements": [
"Tb"
],
"chemical_system": "Tb",
"density": 8.232197685297638,
"density_atomic": 0.03119417590846317,
"volume": 192.3435970101125,
"volume_molar": 19.30533692466021,
"formula_full": "Tb6",
"formula_reduced": "Tb",
"formula_anonymous": "A",
"energy": -27.724118149999995,
"energy_per_atom": -4.620686358333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.724118149999995,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.7229571,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:17.503000Z",
"spacegroup": 194
},
{
"id": "mp-1102233",
"created_at": "2022-09-04T14:41:12.554651Z",
"structure_string": "Tb4 Tc8\n1.0\n2.695244 -4.668299 0.000000\n2.695244 4.668299 0.000000\n0.000000 0.000000 8.930582\nTb Tc\n4 8\ndirect\n0.333333 0.666667 0.436680 Tb\n0.666667 0.333333 0.563320 Tb\n0.666667 0.333333 0.936680 Tb\n0.333333 0.666667 0.063320 Tb\n0.000000 0.000000 0.500000 Tc\n0.000000 0.000000 0.000000 Tc\n0.828801 0.171199 0.250000 Tc\n0.828801 0.657602 0.250000 Tc\n0.342398 0.171199 0.250000 Tc\n0.171199 0.828801 0.750000 Tc\n0.171199 0.342398 0.750000 Tc\n0.657602 0.828801 0.750000 Tc\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Tb",
"Tc"
],
"chemical_system": "Tb-Tc",
"density": 10.490099259565733,
"density_atomic": 0.05339673907426546,
"volume": 224.7328246638828,
"volume_molar": 11.278105862652515,
"formula_full": "Tb4 Tc8",
"formula_reduced": "TbTc2",
"formula_anonymous": "AB2",
"energy": -103.32848757,
"energy_per_atom": -8.6107072975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -103.32848757,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0078405,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:14.509000Z",
"spacegroup": 194
},
{
"id": "mp-685007",
"created_at": "2022-09-04T14:41:25.084973Z",
"structure_string": "Tb20 Te36\n1.0\n16.098289 0.000000 0.000000\n0.000000 11.716915 0.000000\n0.000000 0.204670 11.951191\nTb Te\n20 36\ndirect\n0.756335 0.000000 0.000000 Tb\n0.111195 0.913375 0.661273 Tb\n0.641580 0.877713 0.704154 Tb\n0.346827 0.751551 0.483655 Tb\n0.903274 0.842869 0.418331 Tb\n0.245772 0.740808 0.060151 Tb\n0.604786 0.733728 0.011937 Tb\n0.741516 0.529773 0.755055 Tb\n0.364340 0.555943 0.812078 Tb\n0.210083 0.500000 0.500000 Tb\n0.860571 0.500000 0.500000 Tb\n0.364340 0.444057 0.187922 Tb\n0.741516 0.470227 0.244945 Tb\n0.604786 0.266272 0.988063 Tb\n0.245772 0.259192 0.939849 Tb\n0.903274 0.157131 0.581669 Tb\n0.346827 0.248449 0.516345 Tb\n0.641580 0.122287 0.295846 Tb\n0.111195 0.086625 0.338727 Tb\n0.135498 0.000000 0.000000 Tb\n0.318085 0.000000 0.000000 Te\n0.239606 0.940691 0.220321 Te\n0.453938 0.801713 0.697935 Te\n0.919803 0.915859 0.663993 Te\n0.752381 0.896707 0.247061 Te\n0.088200 0.829349 0.421727 Te\n0.638505 0.708785 0.259400 Te\n0.770186 0.778269 0.883774 Te\n0.225776 0.692476 0.668050 Te\n0.423234 0.666055 0.043340 Te\n0.902496 0.603776 0.282436 Te\n0.252931 0.632802 0.292929 Te\n0.760105 0.723107 0.566335 Te\n0.084891 0.785132 0.905347 Te\n0.555423 0.616348 0.782815 Te\n0.679149 0.500000 0.500000 Te\n0.407451 0.500000 0.500000 Te\n0.693741 0.500000 0.000000 Te\n0.218175 0.500000 0.000000 Te\n0.555423 0.383652 0.217185 Te\n0.084891 0.214868 0.094653 Te\n0.760105 0.276893 0.433665 Te\n0.252931 0.367198 0.707071 Te\n0.902496 0.396224 0.717564 Te\n0.423234 0.333945 0.956660 Te\n0.225776 0.307524 0.331950 Te\n0.770186 0.221731 0.116226 Te\n0.638505 0.291215 0.740600 Te\n0.088200 0.170651 0.578273 Te\n0.752381 0.103293 0.752939 Te\n0.919803 0.084141 0.336007 Te\n0.453938 0.198287 0.302065 Te\n0.239606 0.059309 0.779679 Te\n0.572839 0.000000 0.000000 Te\n0.325028 0.000000 0.500000 Te\n0.599715 0.000000 0.500000 Te\n",
"nsites": 56,
"nelements": 2,
"elements": [
"Tb",
"Te"
],
"chemical_system": "Tb-Te",
"density": 5.725107979801242,
"density_atomic": 0.024841844604284406,
"volume": 2254.260941248374,
"volume_molar": 24.241922674942497,
"formula_full": "Tb20 Te36",
"formula_reduced": "Tb5Te9",
"formula_anonymous": "A5B9",
"energy": -277.62435391,
"energy_per_atom": -4.957577748392858,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -262.43235391,
"band_gap": 0.2070000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011141,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:14.336000Z",
"spacegroup": 3
},
{
"id": "mp-1208342",
"created_at": "2022-09-04T14:45:23.893823Z",
"structure_string": "Tb1 Te3\n1.0\n3.441719 -4.732884 0.000000\n3.441719 4.732884 0.000000\n0.000000 0.000000 15.173155\nTb Te\n1 3\ndirect\n0.000000 0.000000 0.000000 Tb\n0.000000 0.000000 0.500000 Te\n0.500000 0.000000 0.000000 Te\n0.000000 0.500000 0.000000 Te\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tb",
"Te"
],
"chemical_system": "Tb-Te",
"density": 1.8197892559709838,
"density_atomic": 0.008091943311702243,
"volume": 494.3188361459924,
"volume_molar": 74.42144028976355,
"formula_full": "Tb1 Te3",
"formula_reduced": "TbTe3",
"formula_anonymous": "AB3",
"energy": -14.38707076,
"energy_per_atom": -3.59676769,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.12107076,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0121589,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:01.691000Z",
"spacegroup": 65
},
{
"id": "mp-1105684",
"created_at": "2022-09-04T14:42:59.441608Z",
"structure_string": "Tb8 Te12\n1.0\n0.000000 6.188394 13.277601\n4.370212 0.000000 13.277601\n4.370212 6.188394 0.000000\nTb Te\n8 12\ndirect\n0.332632 0.332632 0.167368 Tb\n0.167368 0.167368 0.332632 Tb\n0.917368 0.917368 0.082632 Tb\n0.082632 0.082632 0.917368 Tb\n0.999853 0.999853 0.500147 Tb\n0.500147 0.500147 0.999853 Tb\n0.250147 0.250147 0.749853 Tb\n0.749853 0.749853 0.250147 Tb\n0.999161 0.500839 0.500839 Te\n0.500839 0.999161 0.999161 Te\n0.250839 0.749161 0.749161 Te\n0.749161 0.250839 0.250839 Te\n0.665797 0.168784 0.834175 Te\n0.834175 0.331244 0.665797 Te\n0.331244 0.834175 0.168784 Te\n0.168784 0.665797 0.331244 Te\n0.584203 0.081216 0.415825 Te\n0.415825 0.918756 0.584203 Te\n0.918756 0.415825 0.081216 Te\n0.081216 0.584203 0.918756 Te\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Tb",
"Te"
],
"chemical_system": "Tb-Te",
"density": 6.4800831421050935,
"density_atomic": 0.027848379250706386,
"volume": 718.1746492299975,
"volume_molar": 21.62474413963335,
"formula_full": "Tb8 Te12",
"formula_reduced": "Tb2Te3",
"formula_anonymous": "A2B3",
"energy": -108.20440712,
"energy_per_atom": -5.410220356,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -103.14040712,
"band_gap": 0.5516999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006963,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:07.722000Z",
"spacegroup": 70
},
{
"id": "mp-1176",
"created_at": "2022-09-04T14:44:05.069253Z",
"structure_string": "Tb1 Te1\n1.0\n0.000000 3.092048 3.092048\n3.092048 0.000000 3.092048\n3.092048 3.092048 0.000000\nTb Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.500000 Te\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tb",
"Te"
],
"chemical_system": "Tb-Te",
"density": 8.047175484030037,
"density_atomic": 0.033826831379490274,
"volume": 59.12466283237603,
"volume_molar": 17.802852098205438,
"formula_full": "Tb1 Te1",
"formula_reduced": "TbTe",
"formula_anonymous": "AB",
"energy": -10.81342338,
"energy_per_atom": -5.40671169,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.39142338,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007246,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:37.834000Z",
"spacegroup": 225
}
]
}