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=-formula_full&page=58",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_full&page=56",
"results": [
{
"id": "mp-1215289",
"created_at": "2022-09-04T14:40:21.873482Z",
"structure_string": "Zr3 Ta3 Si6 Ru6\n1.0\n3.771132 0.000000 0.000000\n0.000000 6.564656 0.000000\n0.000000 0.056287 11.269198\nZr Ta Si Ru\n3 3 6 6\ndirect\n0.500000 0.288085 0.290012 Zr\n0.500000 0.288814 0.710255 Zr\n0.500000 0.789066 0.209143 Zr\n0.500000 0.423126 0.998860 Ta\n0.500000 0.920617 0.502264 Ta\n0.500000 0.788932 0.791189 Ta\n0.500000 0.005637 0.995897 Si\n0.500000 0.507333 0.500095 Si\n0.000000 0.992706 0.667439 Si\n0.000000 0.498165 0.162200 Si\n0.000000 0.502849 0.835142 Si\n0.000000 0.996776 0.337662 Si\n0.000000 0.251545 0.502428 Ru\n0.000000 0.753640 0.996843 Ru\n0.000000 0.624903 0.624309 Ru\n0.000000 0.122959 0.120980 Ru\n0.000000 0.122373 0.876418 Ru\n0.000000 0.622672 0.378864 Ru\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Zr",
"Ta",
"Si",
"Ru"
],
"chemical_system": "Ru-Si-Ta-Zr",
"density": 9.472508594762525,
"density_atomic": 0.06452021237067991,
"volume": 278.98234272055475,
"volume_molar": 9.333727430098568,
"formula_full": "Zr3 Ta3 Si6 Ru6",
"formula_reduced": "ZrTa(SiRu)2",
"formula_anonymous": "ABC2D2",
"energy": -163.56610145,
"energy_per_atom": -9.08700563611111,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -163.56610145,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007244,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.922000Z",
"spacegroup": 6
},
{
"id": "mp-1215420",
"created_at": "2022-09-04T14:46:54.340586Z",
"structure_string": "Zr3 Ta1 Fe8\n1.0\n8.186331 -2.465597 0.000000\n8.186331 2.465597 0.000000\n7.443731 0.000000 4.205478\nZr Ta Fe\n3 1 8\ndirect\n0.625023 0.625023 0.625023 Zr\n0.000933 0.000933 0.000933 Zr\n0.499106 0.499106 0.499106 Zr\n0.124947 0.124947 0.124947 Ta\n0.563602 0.064102 0.563602 Fe\n0.061983 0.559923 0.061983 Fe\n0.064102 0.563602 0.563602 Fe\n0.559923 0.061983 0.061983 Fe\n0.812277 0.812277 0.812277 Fe\n0.312519 0.312519 0.312519 Fe\n0.563602 0.563602 0.064102 Fe\n0.061983 0.061983 0.559923 Fe\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Zr",
"Ta",
"Fe"
],
"chemical_system": "Fe-Ta-Zr",
"density": 8.81658101669999,
"density_atomic": 0.07068454901326572,
"volume": 169.76836051890066,
"volume_molar": 8.519741363660387,
"formula_full": "Zr3 Ta1 Fe8",
"formula_reduced": "Zr3TaFe8",
"formula_anonymous": "AB3C8",
"energy": -108.21086062,
"energy_per_atom": -9.017571718333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -108.21086062,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.3647173,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:45.305000Z",
"spacegroup": 160
},
{
"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-1215570",
"created_at": "2022-09-04T14:41:46.571298Z",
"structure_string": "Zr3 Sn4 Sb2\n1.0\n4.834528 2.793849 0.000000\n-4.834528 2.793849 0.000000\n0.000000 0.066403 7.694752\nZr Sn Sb\n3 4 2\ndirect\n0.502264 0.004216 0.163408 Zr\n0.995784 0.497736 0.836592 Zr\n0.502037 0.497963 0.500000 Zr\n0.832946 0.167054 0.500000 Sn\n0.167370 0.336204 0.168949 Sn\n0.663796 0.832630 0.831051 Sn\n0.170033 0.829967 0.500000 Sn\n0.832869 0.667100 0.167437 Sb\n0.332900 0.167131 0.832563 Sb\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Zr",
"Sn",
"Sb"
],
"chemical_system": "Sb-Sn-Zr",
"density": 7.924888237671013,
"density_atomic": 0.043297306177536875,
"volume": 207.8651259063618,
"volume_molar": 13.908811636702593,
"formula_full": "Zr3 Sn4 Sb2",
"formula_reduced": "Zr3(Sn2Sb)2",
"formula_anonymous": "A2B3C4",
"energy": -54.54978221,
"energy_per_atom": -6.061086912222222,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -54.16578221,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.74e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:24.597000Z",
"spacegroup": 5
},
{
"id": "mp-1080815",
"created_at": "2022-09-04T14:42:49.338989Z",
"structure_string": "Zr3 Sn3 Rh3\n1.0\n3.706464 -6.419785 0.000000\n3.706464 6.419785 0.000000\n0.000000 0.000000 3.664738\nZr Sn Rh\n3 3 3\ndirect\n0.397925 0.397925 0.500000 Zr\n0.602075 0.000000 0.500000 Zr\n0.000000 0.602075 0.500000 Zr\n0.732787 0.732787 0.000000 Sn\n0.267213 0.000000 0.000000 Sn\n0.000000 0.267213 0.000000 Sn\n0.666667 0.333333 0.000000 Rh\n0.333333 0.666667 0.000000 Rh\n0.000000 0.000000 0.500000 Rh\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Zr",
"Sn",
"Rh"
],
"chemical_system": "Rh-Sn-Zr",
"density": 8.935909015821215,
"density_atomic": 0.051604706500066475,
"volume": 174.4026971646163,
"volume_molar": 11.669751013877471,
"formula_full": "Zr3 Sn3 Rh3",
"formula_reduced": "ZrSnRh",
"formula_anonymous": "ABC",
"energy": -66.58509149,
"energy_per_atom": -7.398343498888888,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -66.58509149,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006186,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:52.465000Z",
"spacegroup": 189
},
{
"id": "mp-20935",
"created_at": "2022-09-04T14:42:02.509158Z",
"structure_string": "Zr3 Sn3 Ir3\n1.0\n3.687956 -6.387727 0.000000\n3.687956 6.387727 0.000000\n0.000000 0.000000 3.749881\nZr Sn Ir\n3 3 3\ndirect\n0.000000 0.604860 0.500000 Zr\n0.395140 0.395140 0.500000 Zr\n0.604860 0.000000 0.500000 Zr\n0.266956 0.000000 0.000000 Sn\n0.733044 0.733044 0.000000 Sn\n0.000000 0.266956 0.000000 Sn\n0.666667 0.333333 0.000000 Ir\n0.333333 0.666667 0.000000 Ir\n0.000000 0.000000 0.500000 Ir\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Zr",
"Sn",
"Ir"
],
"chemical_system": "Ir-Sn-Zr",
"density": 11.339135518027406,
"density_atomic": 0.05094047027848348,
"volume": 176.67681414793435,
"volume_molar": 11.82191826474689,
"formula_full": "Zr3 Sn3 Ir3",
"formula_reduced": "ZrSnIr",
"formula_anonymous": "ABC",
"energy": -70.75846492,
"energy_per_atom": -7.862051657777777,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.75846492,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0044849,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:38.040000Z",
"spacegroup": 189
},
{
"id": "mp-1094255",
"created_at": "2022-09-04T14:40:06.499845Z",
"structure_string": "Zr3 Sn1\n1.0\n-2.179691 2.179691 4.775566\n2.179691 -2.179691 4.775566\n2.179691 2.179691 -4.775566\nZr Sn\n3 1\ndirect\n0.500000 0.500000 0.000000 Zr\n0.250000 0.750000 0.500000 Zr\n0.750000 0.250000 0.500000 Zr\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zr",
"Sn"
],
"chemical_system": "Sn-Zr",
"density": 7.179322607983515,
"density_atomic": 0.04407428610045117,
"volume": 90.75586592335192,
"volume_molar": 13.663614984652815,
"formula_full": "Zr3 Sn1",
"formula_reduced": "Zr3Sn",
"formula_anonymous": "AB3",
"energy": -30.99526069,
"energy_per_atom": -7.7488151725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.99526069,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0022285,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.330000Z",
"spacegroup": 139
},
{
"id": "mp-7544",
"created_at": "2022-09-04T14:43:39.075079Z",
"structure_string": "Zr3 Si3 Ru3\n1.0\n3.355306 -5.811561 0.000000\n3.355306 5.811561 0.000000\n0.000000 0.000000 3.728055\nZr Si Ru\n3 3 3\ndirect\n0.414793 0.414793 0.500000 Zr\n0.585207 0.000000 0.500000 Zr\n0.000000 0.585207 0.500000 Zr\n0.000000 0.000000 0.500000 Si\n0.666667 0.333333 0.000000 Si\n0.333333 0.666667 0.000000 Si\n0.000000 0.244258 0.000000 Ru\n0.244258 0.000000 0.000000 Ru\n0.755742 0.755742 0.000000 Ru\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Zr",
"Si",
"Ru"
],
"chemical_system": "Ru-Si-Zr",
"density": 7.550997125152835,
"density_atomic": 0.061902083789654117,
"volume": 145.3909052655219,
"volume_molar": 9.7284944081422,
"formula_full": "Zr3 Si3 Ru3",
"formula_reduced": "ZrSiRu",
"formula_anonymous": "ABC",
"energy": -77.99339313,
"energy_per_atom": -8.66593257,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -78.20639313,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016889,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:14.781000Z",
"spacegroup": 189
},
{
"id": "mp-1215399",
"created_at": "2022-09-04T14:39:12.604890Z",
"structure_string": "Zr3 Si1 Mo8\n1.0\n2.682365 -4.645992 0.000000\n2.682365 4.645992 0.000000\n0.000000 0.000000 8.596935\nZr Si Mo\n3 1 8\ndirect\n0.666667 0.333333 0.444056 Zr\n0.666667 0.333333 0.061654 Zr\n0.000000 0.000000 0.936997 Zr\n0.000000 0.000000 0.564707 Si\n0.333333 0.666667 0.497979 Mo\n0.333333 0.666667 0.996738 Mo\n0.503917 0.007834 0.745027 Mo\n0.503917 0.496083 0.745027 Mo\n0.992166 0.496083 0.745027 Mo\n0.162561 0.325122 0.254244 Mo\n0.162561 0.837439 0.254244 Mo\n0.674878 0.837439 0.254244 Mo\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Zr",
"Si",
"Mo"
],
"chemical_system": "Mo-Si-Zr",
"density": 8.286469872614934,
"density_atomic": 0.056002997904994606,
"volume": 214.27424332456647,
"volume_molar": 10.753247121191915,
"formula_full": "Zr3 Si1 Mo8",
"formula_reduced": "Zr3SiMo8",
"formula_anonymous": "AB3C8",
"energy": -117.60427265,
"energy_per_atom": -9.800356054166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -117.60427265,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.42e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.220000Z",
"spacegroup": 156
},
{
"id": "mp-1215400",
"created_at": "2022-09-04T14:43:08.447496Z",
"structure_string": "Zr3 Se4\n1.0\n3.943497 -5.355340 0.000000\n3.943497 5.355340 0.000000\n0.000000 0.000000 3.765060\nZr Se\n3 4\ndirect\n0.000000 0.500000 0.000000 Zr\n0.000000 0.000000 0.500000 Zr\n0.500000 0.000000 0.000000 Zr\n0.735851 0.264149 0.500000 Se\n0.742479 0.742479 0.000000 Se\n0.264149 0.735851 0.500000 Se\n0.257521 0.257521 0.000000 Se\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Zr",
"Se"
],
"chemical_system": "Se-Zr",
"density": 6.155612698813158,
"density_atomic": 0.044017723650027214,
"volume": 159.02685144863625,
"volume_molar": 13.681172629189962,
"formula_full": "Zr3 Se4",
"formula_reduced": "Zr3Se4",
"formula_anonymous": "A3B4",
"energy": -50.46684641,
"energy_per_atom": -7.209549487142858,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.57884641,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0023037,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:05.894000Z",
"spacegroup": 65
},
{
"id": "mp-1215426",
"created_at": "2022-09-04T14:46:39.737721Z",
"structure_string": "Zr3 Se2\n1.0\n1.716290 -2.972701 0.000000\n1.716290 2.972701 0.000000\n0.000000 0.000000 10.677004\nZr Se\n3 2\ndirect\n0.000000 0.000000 0.353076 Zr\n0.000000 0.000000 0.000000 Zr\n0.000000 0.000000 0.646924 Zr\n0.666667 0.333333 0.177564 Se\n0.666667 0.333333 0.822436 Se\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Zr",
"Se"
],
"chemical_system": "Se-Zr",
"density": 6.578110750359142,
"density_atomic": 0.04589323815921267,
"volume": 108.94851181897465,
"volume_molar": 13.12206547532778,
"formula_full": "Zr3 Se2",
"formula_reduced": "Zr3Se2",
"formula_anonymous": "A2B3",
"energy": -37.702615730000005,
"energy_per_atom": -7.540523146000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.75861573,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0113775,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:40.370000Z",
"spacegroup": 187
},
{
"id": "mp-1100799",
"created_at": "2022-09-04T14:40:36.142840Z",
"structure_string": "Zr3 Sc4 N8\n1.0\n17.754655 -1.765873 0.000000\n17.754655 1.765873 0.000000\n17.579022 0.000000 3.053534\nZr Sc N\n3 4 8\ndirect\n0.114878 0.114878 0.114878 Zr\n0.500000 0.500000 0.500000 Zr\n0.885122 0.885122 0.885122 Zr\n0.354607 0.354607 0.354607 Sc\n0.733229 0.733229 0.733229 Sc\n0.266771 0.266771 0.266771 Sc\n0.645393 0.645393 0.645393 Sc\n0.687165 0.687165 0.687165 N\n0.063720 0.063720 0.063720 N\n0.437182 0.437182 0.437182 N\n0.812209 0.812209 0.812209 N\n0.187791 0.187791 0.187791 N\n0.562818 0.562818 0.562818 N\n0.936280 0.936280 0.936280 N\n0.312835 0.312835 0.312835 N\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Zr",
"Sc",
"N"
],
"chemical_system": "N-Sc-Zr",
"density": 4.904729571160036,
"density_atomic": 0.07834058302240246,
"volume": 191.47164115067363,
"volume_molar": 7.687127830383767,
"formula_full": "Zr3 Sc4 N8",
"formula_reduced": "Zr3Sc4N8",
"formula_anonymous": "A3B4C8",
"energy": -141.14342399,
"energy_per_atom": -9.409561599333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -138.25542399,
"band_gap": 0.0656999999999996,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0018562,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:05.214000Z",
"spacegroup": 166
}
]
}