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=12179",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=chemical_system&page=12177",
"results": [
{
"id": "mp-30882",
"created_at": "2022-09-04T14:47:40.903712Z",
"structure_string": "Ti4 Zn8\n1.0\n2.541545 -4.402086 0.000000\n2.541545 4.402086 0.000000\n0.000000 0.000000 8.171311\nTi Zn\n4 8\ndirect\n0.333333 0.666667 0.067085 Ti\n0.666667 0.333333 0.567085 Ti\n0.666667 0.333333 0.932915 Ti\n0.333333 0.666667 0.432915 Ti\n0.000000 0.000000 0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n0.828151 0.656303 0.250000 Zn\n0.171849 0.828151 0.750000 Zn\n0.656303 0.828151 0.750000 Zn\n0.343697 0.171849 0.250000 Zn\n0.828151 0.171849 0.250000 Zn\n0.171849 0.343697 0.750000 Zn\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ti",
"Zn"
],
"chemical_system": "Ti-Zn",
"density": 6.491112306470398,
"density_atomic": 0.06563011782529334,
"volume": 182.84288368861183,
"volume_molar": 9.17587985447607,
"formula_full": "Ti4 Zn8",
"formula_reduced": "TiZn2",
"formula_anonymous": "AB2",
"energy": -44.03559326,
"energy_per_atom": -3.6696327716666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.03559326,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.6542694,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:19.749000Z",
"spacegroup": 194
},
{
"id": "mp-21289",
"created_at": "2022-09-04T14:43:10.670069Z",
"structure_string": "Ti1 Zn3\n1.0\n3.926097 0.000000 0.000000\n0.000000 3.926097 0.000000\n0.000000 0.000000 3.926097\nTi Zn\n1 3\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.500000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.500000 0.000000 0.500000 Zn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"Zn"
],
"chemical_system": "Ti-Zn",
"density": 6.697660442193527,
"density_atomic": 0.06609626448747108,
"volume": 60.51779220833611,
"volume_molar": 9.111166579075782,
"formula_full": "Ti1 Zn3",
"formula_reduced": "TiZn3",
"formula_anonymous": "AB3",
"energy": -12.47531388,
"energy_per_atom": -3.11882847,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.47531388,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002516,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:56.928000Z",
"spacegroup": 221
},
{
"id": "mp-1208498",
"created_at": "2022-09-04T14:45:11.307066Z",
"structure_string": "Ti12 Zn88\n1.0\n11.527313 0.000000 0.000000\n0.000000 11.527313 0.000000\n0.000000 0.000000 11.460288\nTi Zn\n12 88\ndirect\n0.089287 0.344357 0.000000 Ti\n0.910713 0.655643 0.000000 Ti\n0.344357 0.910713 0.500000 Ti\n0.589287 0.155643 0.000000 Ti\n0.655643 0.089287 0.500000 Ti\n0.410713 0.844357 0.000000 Ti\n0.844357 0.589287 0.500000 Ti\n0.155643 0.410713 0.500000 Ti\n0.000000 0.000000 0.250000 Ti\n0.000000 0.000000 0.750000 Ti\n0.500000 0.500000 0.750000 Ti\n0.500000 0.500000 0.250000 Ti\n0.234841 0.043285 0.317640 Zn\n0.765159 0.956715 0.682360 Zn\n0.765159 0.956715 0.317640 Zn\n0.043285 0.765159 0.817640 Zn\n0.734841 0.456715 0.682360 Zn\n0.234841 0.043285 0.682360 Zn\n0.956715 0.234841 0.182360 Zn\n0.265159 0.543285 0.317640 Zn\n0.956715 0.234841 0.817640 Zn\n0.265159 0.543285 0.682360 Zn\n0.043285 0.765159 0.182360 Zn\n0.734841 0.456715 0.317640 Zn\n0.543285 0.734841 0.182360 Zn\n0.456715 0.265159 0.817640 Zn\n0.456715 0.265159 0.182360 Zn\n0.543285 0.734841 0.817640 Zn\n0.320643 0.241116 0.000000 Zn\n0.679357 0.758884 0.000000 Zn\n0.241116 0.679357 0.500000 Zn\n0.820643 0.258884 0.000000 Zn\n0.758884 0.320643 0.500000 Zn\n0.179357 0.741116 0.000000 Zn\n0.741116 0.820643 0.500000 Zn\n0.258884 0.179357 0.500000 Zn\n0.397425 0.059021 0.117282 Zn\n0.602575 0.940979 0.882718 Zn\n0.602575 0.940979 0.117282 Zn\n0.059021 0.602575 0.617282 Zn\n0.897425 0.440979 0.882718 Zn\n0.397425 0.059021 0.882718 Zn\n0.940979 0.397425 0.382718 Zn\n0.102575 0.559021 0.117282 Zn\n0.940979 0.397425 0.617282 Zn\n0.102575 0.559021 0.882718 Zn\n0.059021 0.602575 0.382718 Zn\n0.897425 0.440979 0.117282 Zn\n0.559021 0.897425 0.382718 Zn\n0.440979 0.102575 0.617282 Zn\n0.440979 0.102575 0.382718 Zn\n0.559021 0.897425 0.617282 Zn\n0.171771 0.173224 0.151541 Zn\n0.828229 0.826776 0.848459 Zn\n0.828229 0.826776 0.151541 Zn\n0.173224 0.828229 0.651541 Zn\n0.671771 0.326776 0.848459 Zn\n0.171771 0.173224 0.848459 Zn\n0.826776 0.171771 0.348459 Zn\n0.328229 0.673224 0.151541 Zn\n0.826776 0.171771 0.651541 Zn\n0.328229 0.673224 0.848459 Zn\n0.173224 0.828229 0.348459 Zn\n0.671771 0.326776 0.151541 Zn\n0.673224 0.671771 0.348459 Zn\n0.326776 0.328229 0.651541 Zn\n0.326776 0.328229 0.348459 Zn\n0.673224 0.671771 0.651541 Zn\n0.619896 0.119896 0.250000 Zn\n0.380104 0.880104 0.750000 Zn\n0.380104 0.880104 0.250000 Zn\n0.119896 0.380104 0.750000 Zn\n0.619896 0.119896 0.750000 Zn\n0.880104 0.619896 0.250000 Zn\n0.880104 0.619896 0.750000 Zn\n0.119896 0.380104 0.250000 Zn\n0.011574 0.104962 0.000000 Zn\n0.988426 0.895038 0.000000 Zn\n0.104962 0.988426 0.500000 Zn\n0.511574 0.395038 0.000000 Zn\n0.895038 0.011574 0.500000 Zn\n0.488426 0.604962 0.000000 Zn\n0.604962 0.511574 0.500000 Zn\n0.395038 0.488426 0.500000 Zn\n0.063750 0.199975 0.383989 Zn\n0.936250 0.800025 0.616011 Zn\n0.936250 0.800025 0.383989 Zn\n0.199975 0.936250 0.883989 Zn\n0.563750 0.300025 0.616011 Zn\n0.063750 0.199975 0.616011 Zn\n0.800025 0.063750 0.116011 Zn\n0.436250 0.699975 0.383989 Zn\n0.800025 0.063750 0.883989 Zn\n0.436250 0.699975 0.616011 Zn\n0.199975 0.936250 0.116011 Zn\n0.563750 0.300025 0.383989 Zn\n0.699975 0.563750 0.116011 Zn\n0.300025 0.436250 0.883989 Zn\n0.300025 0.436250 0.116011 Zn\n0.699975 0.563750 0.883989 Zn\n",
"nsites": 100,
"nelements": 2,
"elements": [
"Ti",
"Zn"
],
"chemical_system": "Ti-Zn",
"density": 6.90284740141328,
"density_atomic": 0.06566716949536279,
"volume": 1522.8309788358044,
"volume_molar": 9.170702508237795,
"formula_full": "Ti12 Zn88",
"formula_reduced": "Ti3Zn22",
"formula_anonymous": "A3B22",
"energy": -217.78366282,
"energy_per_atom": -2.1778366281999997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -217.78366282,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0017799,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:55.033000Z",
"spacegroup": 135
},
{
"id": "mp-1187531",
"created_at": "2022-09-04T14:41:26.004527Z",
"structure_string": "Ti2 Zn6\n1.0\n2.818876 -4.882436 0.000000\n2.818876 4.882436 0.000000\n0.000000 0.000000 4.350869\nTi Zn\n2 6\ndirect\n0.333333 0.666667 0.750000 Ti\n0.666667 0.333333 0.250000 Ti\n0.164959 0.329918 0.250000 Zn\n0.670082 0.835041 0.250000 Zn\n0.164959 0.835041 0.250000 Zn\n0.835041 0.670082 0.750000 Zn\n0.329918 0.164959 0.750000 Zn\n0.835041 0.164959 0.750000 Zn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ti",
"Zn"
],
"chemical_system": "Ti-Zn",
"density": 6.768893221255242,
"density_atomic": 0.06679922944750101,
"volume": 119.76186052097167,
"volume_molar": 9.015284771709728,
"formula_full": "Ti2 Zn6",
"formula_reduced": "TiZn3",
"formula_anonymous": "AB3",
"energy": -24.90205606,
"energy_per_atom": -3.1127570075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.90205606,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000676,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:20.789000Z",
"spacegroup": 194
},
{
"id": "mp-1014229",
"created_at": "2022-09-04T14:40:09.370550Z",
"structure_string": "Ti2 Zn1\n1.0\n-1.504461 1.504461 5.410680\n1.504461 -1.504461 5.410680\n1.504461 1.504461 -5.410680\nTi Zn\n2 1\ndirect\n0.664278 0.664278 0.000000 Ti\n0.335722 0.335722 0.000000 Ti\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ti",
"Zn"
],
"chemical_system": "Ti-Zn",
"density": 5.4624419306317655,
"density_atomic": 0.061241743440841975,
"volume": 48.98619522316386,
"volume_molar": 9.83339209769108,
"formula_full": "Ti2 Zn1",
"formula_reduced": "Ti2Zn",
"formula_anonymous": "AB2",
"energy": -17.51741853,
"energy_per_atom": -5.83913951,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.51741853,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.092435,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:48.872000Z",
"spacegroup": 139
},
{
"id": "mp-1014230",
"created_at": "2022-09-04T14:41:50.720478Z",
"structure_string": "Ti1 Zn1\n1.0\n3.146779 0.000000 0.000000\n0.000000 3.146779 0.000000\n0.000000 0.000000 3.146779\nTi Zn\n1 1\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ti",
"Zn"
],
"chemical_system": "Ti-Zn",
"density": 6.036542638069623,
"density_atomic": 0.06418466309325857,
"volume": 31.16009189133009,
"volume_molar": 9.382522973206221,
"formula_full": "Ti1 Zn1",
"formula_reduced": "TiZn",
"formula_anonymous": "AB",
"energy": -9.54109828,
"energy_per_atom": -4.77054914,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.54109828,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003201,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:27.913000Z",
"spacegroup": 221
},
{
"id": "mp-866186",
"created_at": "2022-09-04T14:41:50.838875Z",
"structure_string": "Ti3 Zn1\n1.0\n4.018312 0.000000 0.000000\n0.000000 4.018312 0.000000\n0.000000 0.000000 4.018312\nTi Zn\n3 1\ndirect\n0.000000 0.500000 0.500000 Ti\n0.500000 0.000000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"Zn"
],
"chemical_system": "Ti-Zn",
"density": 5.349155213528669,
"density_atomic": 0.061649424724347646,
"volume": 64.88300609267894,
"volume_molar": 9.768364890551256,
"formula_full": "Ti3 Zn1",
"formula_reduced": "Ti3Zn",
"formula_anonymous": "AB3",
"energy": -25.37445149,
"energy_per_atom": -6.3436128725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.37445149,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0046846,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:40.547000Z",
"spacegroup": 221
},
{
"id": "mp-1095716",
"created_at": "2022-09-04T14:40:15.502153Z",
"structure_string": "Zr1 Ti1 Zn2\n1.0\n-5.520015 5.636062 7.823992\n5.520015 -5.636062 7.823992\n5.520015 5.636062 -7.823992\nZr Ti Zn\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Ti\n0.000000 0.245546 0.245546 Zn\n0.000000 0.754454 0.754454 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Ti",
"Zn"
],
"chemical_system": "Ti-Zn-Zr",
"density": 0.46032234265687183,
"density_atomic": 0.004108237877819001,
"volume": 973.6534540992882,
"volume_molar": 146.58695380115282,
"formula_full": "Zr1 Ti1 Zn2",
"formula_reduced": "ZrTiZn2",
"formula_anonymous": "ABC2",
"energy": -8.25435722,
"energy_per_atom": -2.063589305,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.25435722,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.9701882,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.951000Z",
"spacegroup": 71
},
{
"id": "mp-1215394",
"created_at": "2022-09-04T14:42:27.904078Z",
"structure_string": "Zr3 Ti1 Zn8\n1.0\n8.610581 -2.602420 0.000000\n8.610581 2.602420 0.000000\n7.824038 0.000000 4.438368\nZr Ti Zn\n3 1 8\ndirect\n0.624410 0.624410 0.624410 Zr\n0.002004 0.002004 0.002004 Zr\n0.498235 0.498235 0.498235 Zr\n0.125510 0.125510 0.125510 Ti\n0.563013 0.063169 0.563013 Zn\n0.062342 0.561049 0.062342 Zn\n0.063169 0.563013 0.563013 Zn\n0.561049 0.062342 0.062342 Zn\n0.812483 0.812483 0.812483 Zn\n0.312429 0.312429 0.312429 Zn\n0.563013 0.563013 0.063169 Zn\n0.062342 0.062342 0.561049 Zn\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Zr",
"Ti",
"Zn"
],
"chemical_system": "Ti-Zn-Zr",
"density": 7.0525392071320985,
"density_atomic": 0.060327884701471206,
"volume": 198.9129912209131,
"volume_molar": 9.982350267708192,
"formula_full": "Zr3 Ti1 Zn8",
"formula_reduced": "Zr3TiZn8",
"formula_anonymous": "AB3C8",
"energy": -46.90178201,
"energy_per_atom": -3.9084818341666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.90178201,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.8569016,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:53.733000Z",
"spacegroup": 160
},
{
"id": "mp-1215200",
"created_at": "2022-09-04T14:44:28.089171Z",
"structure_string": "Zr1 Ti1\n1.0\n1.554497 -2.692468 0.000000\n1.554497 2.692468 0.000000\n0.000000 0.000000 4.920467\nZr Ti\n1 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.333333 0.666667 0.500000 Ti\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zr",
"Ti"
],
"chemical_system": "Ti-Zr",
"density": 5.607526945970661,
"density_atomic": 0.04855715552522907,
"volume": 41.18857413220695,
"volume_molar": 12.402169556392256,
"formula_full": "Zr1 Ti1",
"formula_reduced": "ZrTi",
"formula_anonymous": "AB",
"energy": -16.2839205,
"energy_per_atom": -8.14196025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.2839205,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010738,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:38.809000Z",
"spacegroup": 187
},
{
"id": "mp-1215236",
"created_at": "2022-09-04T14:43:16.731423Z",
"structure_string": "Zr1 Ti1\n1.0\n3.111935 0.000000 0.000000\n0.000000 3.111935 0.000000\n0.000000 0.000000 4.197765\nZr Ti\n1 1\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Ti\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zr",
"Ti"
],
"chemical_system": "Ti-Zr",
"density": 5.681577963007207,
"density_atomic": 0.04919838414270877,
"volume": 40.65174161408716,
"volume_molar": 12.240525506959125,
"formula_full": "Zr1 Ti1",
"formula_reduced": "ZrTi",
"formula_anonymous": "AB",
"energy": -16.26652195,
"energy_per_atom": -8.133260975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.26652195,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0099125,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:04.216000Z",
"spacegroup": 123
},
{
"id": "mp-1183046",
"created_at": "2022-09-04T14:39:18.777927Z",
"structure_string": "Zr2 Ti6\n1.0\n3.033353 -5.253922 0.000000\n3.033353 5.253922 0.000000\n0.000000 0.000000 4.763093\nZr Ti\n2 6\ndirect\n0.333333 0.666667 0.750000 Zr\n0.666667 0.333333 0.250000 Zr\n0.160294 0.320588 0.250000 Ti\n0.679412 0.839706 0.250000 Ti\n0.160294 0.839706 0.250000 Ti\n0.839706 0.679412 0.750000 Ti\n0.320588 0.160294 0.750000 Ti\n0.839706 0.160294 0.750000 Ti\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zr",
"Ti"
],
"chemical_system": "Ti-Zr",
"density": 5.1368607488850575,
"density_atomic": 0.0526943868923586,
"volume": 151.81882685801034,
"volume_molar": 11.428429316962584,
"formula_full": "Zr2 Ti6",
"formula_reduced": "ZrTi3",
"formula_anonymous": "AB3",
"energy": -64.21833006,
"energy_per_atom": -8.0272912575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.21833006,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0053834,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.288000Z",
"spacegroup": 194
}
]
}