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=21",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-chemical_system&page=19",
"results": [
{
"id": "mp-1238818",
"created_at": "2022-09-04T14:39:09.338528Z",
"structure_string": "Ti6\n1.0\n-1.464038 -2.535788 0.000000\n-1.464039 2.535788 0.000000\n0.000000 0.000000 -28.087341\nTi\n6\ndirect\n0.666667 0.333333 0.704382 Ti\n0.333333 0.666667 0.626464 Ti\n0.666667 0.333333 0.540896 Ti\n0.333333 0.666667 0.459104 Ti\n0.666667 0.333333 0.373536 Ti\n0.333333 0.666667 0.295618 Ti\n",
"nsites": 6,
"nelements": 1,
"elements": [
"Ti"
],
"chemical_system": "Ti",
"density": 2.2868121704973263,
"density_atomic": 0.02877035282590335,
"volume": 208.54801594917902,
"volume_molar": 20.93175845441135,
"formula_full": "Ti6",
"formula_reduced": "Ti",
"formula_anonymous": "A",
"energy": -45.51110526,
"energy_per_atom": -7.58518421,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.51110526,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.609971,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:35.168000Z",
"spacegroup": 164
},
{
"id": "mp-1245170",
"created_at": "2022-09-04T14:42:26.353972Z",
"structure_string": "Ti100\n1.0\n11.902415 0.205527 -0.094095\n0.208385 12.429398 0.385047\n-0.082862 0.388372 11.903778\nTi\n100\ndirect\n0.086608 0.126241 0.660658 Ti\n0.694332 0.816980 0.054861 Ti\n0.345882 0.640606 0.154472 Ti\n0.388011 0.476711 0.324926 Ti\n0.509552 0.155111 0.575218 Ti\n0.558452 0.710131 0.217870 Ti\n0.455555 0.558417 0.686023 Ti\n0.165355 0.517408 0.809301 Ti\n0.923265 0.707158 0.965441 Ti\n0.802982 0.792142 0.271984 Ti\n0.040857 0.116395 0.291930 Ti\n0.872924 0.736197 0.582540 Ti\n0.147935 0.784516 0.532352 Ti\n0.519139 0.317592 0.727975 Ti\n0.243881 0.612659 0.616209 Ti\n0.568170 0.322768 0.300974 Ti\n0.802825 0.027262 0.264673 Ti\n0.326029 0.176534 0.984889 Ti\n0.288082 0.769592 0.814254 Ti\n0.751612 0.319323 0.477509 Ti\n0.893735 0.116671 0.088589 Ti\n0.678633 0.644600 0.954750 Ti\n0.427387 0.950572 0.733614 Ti\n0.261302 0.126161 0.240266 Ti\n0.107159 0.027689 0.089149 Ti\n0.563007 0.421507 0.523417 Ti\n0.693416 0.221179 0.144499 Ti\n0.797697 0.917604 0.467178 Ti\n0.542982 0.503366 0.105880 Ti\n0.350266 0.417815 0.568192 Ti\n0.168476 0.661668 0.985258 Ti\n0.911705 0.969090 0.679036 Ti\n0.774076 0.442919 0.951880 Ti\n0.125936 0.255784 0.104326 Ti\n0.393766 0.577650 0.916225 Ti\n0.164194 0.315401 0.314834 Ti\n0.376094 0.266042 0.407765 Ti\n0.677571 0.706441 0.426553 Ti\n0.457076 0.629606 0.465856 Ti\n0.494416 0.134533 0.136227 Ti\n0.755704 0.414007 0.178149 Ti\n0.203738 0.931068 0.350897 Ti\n0.591285 0.928900 0.230826 Ti\n0.791571 0.613208 0.156391 Ti\n0.471654 0.976016 0.969459 Ti\n0.452341 0.761809 0.012379 Ti\n0.882584 0.120941 0.491848 Ti\n0.364713 0.939150 0.140063 Ti\n0.535724 0.131266 0.833727 Ti\n0.628282 0.527709 0.323760 Ti\n0.844709 0.594261 0.775229 Ti\n0.904986 0.215433 0.711668 Ti\n0.311496 0.167053 0.716772 Ti\n0.054625 0.888927 0.892165 Ti\n0.688650 0.042030 0.038890 Ti\n0.845472 0.019584 0.880136 Ti\n0.862564 0.254018 0.296268 Ti\n0.151519 0.487620 0.436682 Ti\n0.738900 0.369217 0.715025 Ti\n0.562350 0.904907 0.461930 Ti\n0.336558 0.006935 0.529452 Ti\n0.519117 0.746621 0.803444 Ti\n0.010506 0.547285 0.601829 Ti\n0.811378 0.801326 0.805086 Ti\n0.189056 0.929607 0.686181 Ti\n0.937109 0.296259 0.988219 Ti\n0.152979 0.341358 0.631639 Ti\n0.167358 0.827311 0.130502 Ti\n0.401243 0.830582 0.341792 Ti\n0.370791 0.320602 0.165158 Ti\n0.602180 0.514274 0.821741 Ti\n0.248124 0.986746 0.902771 Ti\n0.771467 0.536159 0.564061 Ti\n0.718955 0.147201 0.664982 Ti\n0.233960 0.440884 0.017134 Ti\n0.650560 0.709493 0.647949 Ti\n0.231084 0.689172 0.351630 Ti\n0.003980 0.507039 0.987495 Ti\n0.911246 0.893946 0.086006 Ti\n0.388520 0.791810 0.585944 Ti\n0.050077 0.712343 0.758611 Ti\n0.001875 0.884006 0.290347 Ti\n0.640749 0.930275 0.853018 Ti\n0.038941 0.970090 0.495291 Ti\n0.862522 0.507492 0.362244 Ti\n0.154093 0.290739 0.859308 Ti\n0.349400 0.374152 0.825861 Ti\n0.012529 0.676351 0.174830 Ti\n-0.000036 0.675031 0.400281 Ti\n0.978364 0.329289 0.494799 Ti\n0.742584 0.226243 0.896871 Ti\n0.658531 0.944625 0.643216 Ti\n0.537981 0.318134 0.976912 Ti\n0.044942 0.112333 0.882458 Ti\n0.176133 0.520027 0.212394 Ti\n0.982725 0.417680 0.195696 Ti\n0.182826 0.167744 0.478033 Ti\n0.659340 0.124949 0.408358 Ti\n0.445893 0.063635 0.345627 Ti\n0.962124 0.402618 0.780679 Ti\n",
"nsites": 100,
"nelements": 1,
"elements": [
"Ti"
],
"chemical_system": "Ti",
"density": 4.519680942989807,
"density_atomic": 0.05686204449491334,
"volume": 1758.642357802411,
"volume_molar": 10.590791825184404,
"formula_full": "Ti100",
"formula_reduced": "Ti",
"formula_anonymous": "A",
"energy": -772.5877728,
"energy_per_atom": -7.725877728,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -772.5877728,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0044246,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:47.148000Z",
"spacegroup": 1
},
{
"id": "mp-1217329",
"created_at": "2022-09-04T14:43:23.100462Z",
"structure_string": "Th1 Zr2\n1.0\n-2.369904 -1.714008 1.714008\n-2.369904 1.714008 -1.714008\n2.369904 -4.831498 -4.831498\nTh Zr\n1 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.673473 0.673473 0.346945 Zr\n0.326527 0.326527 0.653055 Zr\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Th",
"Zr"
],
"chemical_system": "Th-Zr",
"density": 8.767456753809572,
"density_atomic": 0.038215175702338504,
"volume": 78.5028446124983,
"volume_molar": 15.75850601056241,
"formula_full": "Th1 Zr2",
"formula_reduced": "ThZr2",
"formula_anonymous": "AB2",
"energy": -24.23527444,
"energy_per_atom": -8.078424813333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.23527444,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0057536,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:11.279000Z",
"spacegroup": 139
},
{
"id": "mp-1217289",
"created_at": "2022-09-04T14:40:26.836732Z",
"structure_string": "Th1 Zr3\n1.0\n1.656243 -2.868697 0.000000\n1.656243 2.868697 0.000000\n0.000000 0.000000 10.784718\nTh Zr\n1 3\ndirect\n0.333333 0.666667 0.000000 Th\n0.333333 0.666667 0.500000 Zr\n0.000000 0.000000 0.265062 Zr\n0.000000 0.000000 0.734938 Zr\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Th",
"Zr"
],
"chemical_system": "Th-Zr",
"density": 8.194135971359845,
"density_atomic": 0.03903125062860037,
"volume": 102.48198393799295,
"volume_molar": 15.429023315966317,
"formula_full": "Th1 Zr3",
"formula_reduced": "ThZr3",
"formula_anonymous": "AB3",
"energy": -32.78709391,
"energy_per_atom": -8.1967734775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.78709391,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003724,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:56.492000Z",
"spacegroup": 187
},
{
"id": "mp-1217264",
"created_at": "2022-09-04T14:46:52.979390Z",
"structure_string": "Th1 Zr2\n1.0\n1.679534 -2.909038 0.000000\n1.679534 2.909038 0.000000\n0.000000 0.000000 7.975512\nTh Zr\n1 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.333333 0.666667 0.661406 Zr\n0.666667 0.333333 0.338594 Zr\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Th",
"Zr"
],
"chemical_system": "Th-Zr",
"density": 8.831455065134511,
"density_atomic": 0.03849412851392469,
"volume": 77.93396332936317,
"volume_molar": 15.644309905136772,
"formula_full": "Th1 Zr2",
"formula_reduced": "ThZr2",
"formula_anonymous": "AB2",
"energy": -24.14015155,
"energy_per_atom": -8.046717183333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.14015155,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001636,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:41.813000Z",
"spacegroup": 164
},
{
"id": "mp-1217345",
"created_at": "2022-09-04T14:43:50.196057Z",
"structure_string": "Th1 Zr3\n1.0\n3.283852 0.000000 0.000000\n0.000000 3.283852 0.000000\n0.000000 0.000000 9.449069\nTh Zr\n1 3\ndirect\n0.000000 0.000000 0.000000 Th\n0.500000 0.500000 0.735443 Zr\n0.000000 0.000000 0.500000 Zr\n0.500000 0.500000 0.264557 Zr\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Th",
"Zr"
],
"chemical_system": "Th-Zr",
"density": 8.241277137884918,
"density_atomic": 0.03925579885333032,
"volume": 101.89577379242799,
"volume_molar": 15.34076731567801,
"formula_full": "Th1 Zr3",
"formula_reduced": "ThZr3",
"formula_anonymous": "AB3",
"energy": -32.75665824,
"energy_per_atom": -8.18916456,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.75665824,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009505,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:29.336000Z",
"spacegroup": 123
},
{
"id": "mp-1187462",
"created_at": "2022-09-04T14:44:25.656360Z",
"structure_string": "Th2 Zr6\n1.0\n3.325289 -5.759570 0.000000\n3.325289 5.759570 0.000000\n0.000000 0.000000 5.391709\nTh Zr\n2 6\ndirect\n0.333333 0.666667 0.750000 Th\n0.666667 0.333333 0.250000 Th\n0.156745 0.313490 0.250000 Zr\n0.686510 0.843255 0.250000 Zr\n0.156745 0.843255 0.250000 Zr\n0.843255 0.686510 0.750000 Zr\n0.313490 0.156745 0.750000 Zr\n0.843255 0.156745 0.750000 Zr\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Th",
"Zr"
],
"chemical_system": "Th-Zr",
"density": 8.132138926883359,
"density_atomic": 0.03873593917786877,
"volume": 206.52655311299864,
"volume_molar": 15.546649669051176,
"formula_full": "Th2 Zr6",
"formula_reduced": "ThZr3",
"formula_anonymous": "AB3",
"energy": -65.48368486,
"energy_per_atom": -8.1854606075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -65.48368486,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0263137,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:37.907000Z",
"spacegroup": 194
},
{
"id": "mp-1217351",
"created_at": "2022-09-04T14:41:48.531938Z",
"structure_string": "Th1 Zn11\n1.0\n4.376241 0.000000 0.000000\n0.000000 5.121479 0.000000\n0.000000 0.000000 9.303174\nTh Zn\n1 11\ndirect\n0.000000 0.500000 0.000000 Th\n0.000000 0.500000 0.352840 Zn\n0.000000 0.000000 0.787358 Zn\n0.000000 0.000000 0.212642 Zn\n0.000000 0.500000 0.647160 Zn\n0.500000 0.500000 0.500000 Zn\n0.500000 0.000000 0.000000 Zn\n0.500000 0.739232 0.236438 Zn\n0.500000 0.260768 0.763562 Zn\n0.500000 0.260768 0.236438 Zn\n0.500000 0.739232 0.763562 Zn\n0.000000 0.000000 0.500000 Zn\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Th",
"Zn"
],
"chemical_system": "Th-Zn",
"density": 7.5778679731975025,
"density_atomic": 0.05755107965345469,
"volume": 208.51042364901423,
"volume_molar": 10.463992676179972,
"formula_full": "Th1 Zn11",
"formula_reduced": "ThZn11",
"formula_anonymous": "AB11",
"energy": -22.33775254,
"energy_per_atom": -1.8614793783333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.33775254,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.17e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.110000Z",
"spacegroup": 47
},
{
"id": "mp-1201279",
"created_at": "2022-09-04T14:45:23.884018Z",
"structure_string": "Th4 Zn34\n1.0\n4.533181 -7.851699 0.000000\n4.533181 7.851699 0.000000\n0.000000 0.000000 8.846153\nTh Zn\n4 34\ndirect\n0.000000 0.000000 0.250000 Th\n0.000000 0.000000 0.750000 Th\n0.333333 0.666667 0.750000 Th\n0.666667 0.333333 0.250000 Th\n0.333333 0.666667 0.394789 Zn\n0.666667 0.333333 0.605211 Zn\n0.666667 0.333333 0.894789 Zn\n0.333333 0.666667 0.105211 Zn\n0.500000 0.500000 0.500000 Zn\n0.500000 0.000000 0.500000 Zn\n0.000000 0.500000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.500000 0.000000 0.000000 Zn\n0.000000 0.500000 0.000000 Zn\n0.329397 0.369324 0.250000 Zn\n0.630676 0.960073 0.250000 Zn\n0.039927 0.670603 0.250000 Zn\n0.630676 0.670603 0.250000 Zn\n0.039927 0.369324 0.250000 Zn\n0.329397 0.960073 0.250000 Zn\n0.670603 0.630676 0.750000 Zn\n0.369324 0.039927 0.750000 Zn\n0.960073 0.329397 0.750000 Zn\n0.369324 0.329397 0.750000 Zn\n0.960073 0.630676 0.750000 Zn\n0.670603 0.039927 0.750000 Zn\n0.161451 0.838549 0.521056 Zn\n0.161451 0.322902 0.521056 Zn\n0.677098 0.838549 0.521056 Zn\n0.838549 0.161451 0.478944 Zn\n0.838549 0.677098 0.478944 Zn\n0.322902 0.161451 0.478944 Zn\n0.838549 0.161451 0.021056 Zn\n0.838549 0.677098 0.021056 Zn\n0.322902 0.161451 0.021056 Zn\n0.161451 0.838549 0.978944 Zn\n0.161451 0.322902 0.978944 Zn\n0.677098 0.838549 0.978944 Zn\n",
"nsites": 38,
"nelements": 2,
"elements": [
"Th",
"Zn"
],
"chemical_system": "Th-Zn",
"density": 8.311744533447829,
"density_atomic": 0.06034377179647171,
"volume": 629.7253033530438,
"volume_molar": 9.979722149804552,
"formula_full": "Th4 Zn34",
"formula_reduced": "Th2Zn17",
"formula_anonymous": "A2B17",
"energy": -81.03916822,
"energy_per_atom": -2.13260969,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -81.03916822,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0061811,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:08.958000Z",
"spacegroup": 194
},
{
"id": "mp-1187406",
"created_at": "2022-09-04T14:42:54.344563Z",
"structure_string": "Th3 Zn1\n1.0\n-2.400223 2.400223 4.980376\n2.400223 -2.400223 4.980376\n2.400223 2.400223 -4.980376\nTh Zn\n3 1\ndirect\n0.750000 0.250000 0.500000 Th\n0.250000 0.750000 0.500000 Th\n0.500000 0.500000 0.000000 Th\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Th",
"Zn"
],
"chemical_system": "Th-Zn",
"density": 11.018105228880508,
"density_atomic": 0.03485255990224249,
"volume": 114.76918800855806,
"volume_molar": 17.27890512746102,
"formula_full": "Th3 Zn1",
"formula_reduced": "Th3Zn",
"formula_anonymous": "AB3",
"energy": -23.45721221,
"energy_per_atom": -5.8643030525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.45721221,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003403,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:56.448000Z",
"spacegroup": 139
},
{
"id": "mp-7496",
"created_at": "2022-09-04T14:41:10.470349Z",
"structure_string": "Th1 Zn2\n1.0\n2.285963 -3.959403 0.000000\n2.285963 3.959403 0.000000\n0.000000 0.000000 3.598040\nTh Zn\n1 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.666667 0.333333 0.500000 Zn\n0.333333 0.666667 0.500000 Zn\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Th",
"Zn"
],
"chemical_system": "Th-Zn",
"density": 9.25099807648839,
"density_atomic": 0.04606025811421323,
"volume": 65.13207096150126,
"volume_molar": 13.074483310682304,
"formula_full": "Th1 Zn2",
"formula_reduced": "ThZn2",
"formula_anonymous": "AB2",
"energy": -10.78658486,
"energy_per_atom": -3.5955282866666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.78658486,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0035989,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:13.846000Z",
"spacegroup": 191
},
{
"id": "mp-540743",
"created_at": "2022-09-04T14:43:55.601923Z",
"structure_string": "Th2 Zn17\n1.0\n5.137005 -4.543865 0.000000\n5.137005 4.543865 0.000000\n1.117794 0.000000 6.766540\nTh Zn\n2 17\ndirect\n0.337008 0.337008 0.337008 Th\n0.662992 0.662992 0.662992 Th\n0.000000 0.000000 0.500000 Zn\n0.000000 0.500000 0.000000 Zn\n0.500000 0.000000 0.000000 Zn\n0.706814 0.293186 0.000000 Zn\n0.293186 0.000000 0.706814 Zn\n0.000000 0.706814 0.293186 Zn\n0.293186 0.706814 0.000000 Zn\n0.706814 0.000000 0.293186 Zn\n0.000000 0.293186 0.706814 Zn\n0.161090 0.649478 0.649478 Zn\n0.649478 0.649478 0.161090 Zn\n0.649478 0.161090 0.649478 Zn\n0.350522 0.838910 0.350522 Zn\n0.838910 0.350522 0.350522 Zn\n0.350522 0.350522 0.838910 Zn\n0.098578 0.098578 0.098578 Zn\n0.901422 0.901422 0.901422 Zn\n",
"nsites": 19,
"nelements": 2,
"elements": [
"Th",
"Zn"
],
"chemical_system": "Th-Zn",
"density": 8.284785671938211,
"density_atomic": 0.06014804881914937,
"volume": 315.8872211653682,
"volume_molar": 10.012196369174202,
"formula_full": "Th2 Zn17",
"formula_reduced": "Th2Zn17",
"formula_anonymous": "A2B17",
"energy": -40.55681218,
"energy_per_atom": -2.134569062105263,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.55681218,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005232,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:27.572000Z",
"spacegroup": 166
}
]
}