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=nelements&page=96",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nelements&page=94",
"results": [
{
"id": "mp-777129",
"created_at": "2022-09-04T14:46:55.763374Z",
"structure_string": "Ti18 O36\n1.0\n9.904338 0.000000 0.000000\n-4.947271 10.618909 0.000000\n-4.944812 -3.250864 10.137884\nTi O\n18 36\ndirect\n0.751676 0.084034 0.916880 Ti\n0.567930 0.086205 0.588515 Ti\n0.673905 0.502557 0.835850 Ti\n0.158137 0.008153 0.319883 Ti\n0.075250 0.243884 0.415584 Ti\n0.257983 0.575708 0.417104 Ti\n0.262193 0.243420 0.749509 Ti\n0.574884 0.748993 0.918893 Ti\n0.164279 0.671355 0.649780 Ti\n0.165248 0.336994 0.982464 Ti\n0.665622 0.166636 0.169691 Ti\n0.756372 0.417392 0.584775 Ti\n0.747069 0.751106 0.252193 Ti\n0.073671 0.908784 0.750195 Ti\n0.571949 0.415291 0.255041 Ti\n0.663425 0.839152 0.501256 Ti\n0.251697 0.906406 0.084512 Ti\n0.075491 0.570825 0.083209 Ti\n0.600857 0.073261 0.752088 O\n0.349018 0.049430 0.475853 O\n0.487849 0.343897 0.796073 O\n0.628425 0.636429 0.856212 O\n0.116860 0.145862 0.320767 O\n0.216936 0.418937 0.449690 O\n0.211077 0.082890 0.776531 O\n0.711260 0.918786 0.929111 O\n0.122602 0.539915 0.240939 O\n0.129401 0.215453 0.574559 O\n0.211887 0.328901 0.848014 O\n0.203585 0.660790 0.511922 O\n0.722617 0.159289 0.040716 O\n0.352064 0.700397 0.802526 O\n0.848160 0.195790 0.324813 O\n0.849217 0.523049 0.991135 O\n0.974138 0.516560 0.612914 O\n0.969683 0.185923 0.945274 O\n0.622467 0.301817 0.188953 O\n0.127676 0.475273 0.996089 O\n0.120792 0.806554 0.664955 O\n0.970379 0.857856 0.295469 O\n0.715977 0.253709 0.602018 O\n0.707538 0.586615 0.267684 O\n0.120436 0.881628 0.910053 O\n0.607539 0.739457 0.083096 O\n0.603895 0.403231 0.418630 O\n0.736639 0.500898 0.709900 O\n0.349430 0.367447 0.138941 O\n0.707287 0.829872 0.365458 O\n0.850223 0.868818 0.653705 O\n0.478497 0.011101 0.136400 O\n0.483993 0.679311 0.467942 O\n0.606997 0.966883 0.518532 O\n0.207005 0.746118 0.110633 O\n0.196047 0.985427 0.183254 O\n",
"nsites": 54,
"nelements": 2,
"elements": [
"Ti",
"O"
],
"chemical_system": "O-Ti",
"density": 2.238874651374489,
"density_atomic": 0.05064552649281348,
"volume": 1066.2343495957637,
"volume_molar": 11.890765437801367,
"formula_full": "Ti18 O36",
"formula_reduced": "TiO2",
"formula_anonymous": "AB2",
"energy": -506.77371765,
"energy_per_atom": -9.384698475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -482.04171765,
"band_gap": 3.3083,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005654,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:46.341000Z",
"spacegroup": 1
},
{
"id": "mp-1187466",
"created_at": "2022-09-04T14:46:52.134851Z",
"structure_string": "Ti3 Cd1\n1.0\n4.151009 0.000000 0.000000\n0.000000 4.151009 0.000000\n0.000000 0.000000 4.151009\nTi Cd\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 Cd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"Cd"
],
"chemical_system": "Cd-Ti",
"density": 5.943583862472373,
"density_atomic": 0.0559240952002913,
"volume": 71.5255201836357,
"volume_molar": 10.768418761951882,
"formula_full": "Ti3 Cd1",
"formula_reduced": "Ti3Cd",
"formula_anonymous": "AB3",
"energy": -24.41481735,
"energy_per_atom": -6.1037043375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.41481735,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0088352,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:39.019000Z",
"spacegroup": 221
},
{
"id": "mp-1104956",
"created_at": "2022-09-04T14:46:11.512766Z",
"structure_string": "Ta6 Fe7\n1.0\n-2.431170 -4.210911 0.000000\n-4.862341 0.000000 0.000000\n-2.431170 -1.403637 -8.740902\nTa Fe\n6 7\ndirect\n0.833575 0.833575 0.499276 Ta\n0.166425 0.166425 0.500724 Ta\n0.654663 0.654663 0.036010 Ta\n0.345337 0.345337 0.963990 Ta\n0.550625 0.550625 0.348126 Ta\n0.449375 0.449375 0.651874 Ta\n0.000000 0.000000 0.000000 Fe\n0.910103 0.910103 0.775061 Fe\n0.404733 0.910103 0.775061 Fe\n0.910103 0.404733 0.775061 Fe\n0.089897 0.089897 0.224939 Fe\n0.595267 0.089897 0.224939 Fe\n0.089897 0.595267 0.224939 Fe\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Ta",
"Fe"
],
"chemical_system": "Fe-Ta",
"density": 13.700452318809546,
"density_atomic": 0.07263829233588029,
"volume": 178.96896501762257,
"volume_molar": 8.290586915443377,
"formula_full": "Ta6 Fe7",
"formula_reduced": "Ta6Fe7",
"formula_anonymous": "A6B7",
"energy": -132.95390896,
"energy_per_atom": -10.227223766153847,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -132.95390896,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.4500574,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:24.532000Z",
"spacegroup": 166
},
{
"id": "mp-1186049",
"created_at": "2022-09-04T14:46:42.748071Z",
"structure_string": "Na3 Ir1\n1.0\n-2.234913 2.234913 4.290454\n2.234913 -2.234913 4.290454\n2.234913 2.234913 -4.290454\nNa Ir\n3 1\ndirect\n0.750000 0.250000 0.500000 Na\n0.250000 0.750000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Na",
"Ir"
],
"chemical_system": "Ir-Na",
"density": 5.059586426919687,
"density_atomic": 0.04666330622429219,
"volume": 85.72045839987356,
"volume_molar": 12.905516662394074,
"formula_full": "Na3 Ir1",
"formula_reduced": "Na3Ir",
"formula_anonymous": "AB3",
"energy": -10.68815146,
"energy_per_atom": -2.672037865,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.68815146,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0672461,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:40.687000Z",
"spacegroup": 139
},
{
"id": "mp-1008487",
"created_at": "2022-09-04T14:46:19.179657Z",
"structure_string": "B2 W2\n1.0\n1.591431 -4.263524 0.000000\n1.591431 4.263524 0.000000\n0.000000 0.000000 3.109849\nB W\n2 2\ndirect\n0.560600 0.439400 0.750000 B\n0.439400 0.560600 0.250000 B\n0.855289 0.144711 0.750000 W\n0.144711 0.855289 0.250000 W\n",
"nsites": 4,
"nelements": 2,
"elements": [
"B",
"W"
],
"chemical_system": "B-W",
"density": 15.318276657145134,
"density_atomic": 0.0947838112949119,
"volume": 42.2012994134023,
"volume_molar": 6.353554133060353,
"formula_full": "B2 W2",
"formula_reduced": "BW",
"formula_anonymous": "AB",
"energy": -40.6995963,
"energy_per_atom": -10.174899075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.6995963,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.37e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:24.705000Z",
"spacegroup": 63
},
{
"id": "mp-19890",
"created_at": "2022-09-04T14:46:51.845610Z",
"structure_string": "U4 Re8\n1.0\n2.762676 -4.785095 0.000000\n2.762676 4.785095 0.000000\n0.000000 0.000000 8.264919\nU Re\n4 8\ndirect\n0.333333 0.666667 0.410737 U\n0.666667 0.333333 0.589263 U\n0.666667 0.333333 0.910737 U\n0.333333 0.666667 0.089263 U\n0.000000 0.000000 0.500000 Re\n0.000000 0.000000 0.000000 Re\n0.828631 0.171369 0.250000 Re\n0.828631 0.657262 0.250000 Re\n0.342738 0.171369 0.250000 Re\n0.171369 0.828631 0.750000 Re\n0.171369 0.342738 0.750000 Re\n0.657262 0.828631 0.750000 Re\n",
"nsites": 12,
"nelements": 2,
"elements": [
"U",
"Re"
],
"chemical_system": "Re-U",
"density": 18.555173782839315,
"density_atomic": 0.054915144342557266,
"volume": 218.5189558119841,
"volume_molar": 10.966265921899902,
"formula_full": "U4 Re8",
"formula_reduced": "URe2",
"formula_anonymous": "AB2",
"energy": -144.75379602,
"energy_per_atom": -12.062816335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -144.75379602,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.716746,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:42.597000Z",
"spacegroup": 194
},
{
"id": "mp-1183663",
"created_at": "2022-09-04T14:46:07.996042Z",
"structure_string": "Cd6 Pb2\n1.0\n3.338325 -5.782148 0.000000\n3.338325 5.782148 0.000000\n0.000000 0.000000 5.347876\nCd Pb\n6 2\ndirect\n0.839425 0.160575 0.750000 Cd\n0.321150 0.160575 0.750000 Cd\n0.839425 0.678850 0.750000 Cd\n0.160575 0.839425 0.250000 Cd\n0.678850 0.839425 0.250000 Cd\n0.160575 0.321150 0.250000 Cd\n0.666667 0.333333 0.250000 Pb\n0.333333 0.666667 0.750000 Pb\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Cd",
"Pb"
],
"chemical_system": "Cd-Pb",
"density": 8.757787265965579,
"density_atomic": 0.03874903077514134,
"volume": 206.45677685265457,
"volume_molar": 15.541397138282445,
"formula_full": "Cd6 Pb2",
"formula_reduced": "Cd3Pb",
"formula_anonymous": "AB3",
"energy": -12.36895492,
"energy_per_atom": -1.546119365,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.36895492,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002862,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:23.872000Z",
"spacegroup": 194
},
{
"id": "mp-1189501",
"created_at": "2022-09-04T14:46:19.456315Z",
"structure_string": "La14 Pt6\n1.0\n5.178415 -8.969278 0.000000\n5.178415 8.969278 0.000000\n0.000000 0.000000 6.622919\nLa Pt\n14 6\ndirect\n0.666667 0.333333 0.538274 La\n0.333333 0.666667 0.038274 La\n0.874157 0.748314 0.749833 La\n0.251686 0.125843 0.749833 La\n0.874157 0.125843 0.749833 La\n0.125843 0.251686 0.249833 La\n0.748314 0.874157 0.249833 La\n0.125843 0.874157 0.249833 La\n0.461734 0.923468 0.562815 La\n0.076532 0.538266 0.562815 La\n0.461734 0.538266 0.562815 La\n0.538266 0.076532 0.062815 La\n0.923468 0.461734 0.062815 La\n0.538266 0.461734 0.062815 La\n0.188277 0.376555 0.810348 Pt\n0.623445 0.811723 0.810348 Pt\n0.188277 0.811723 0.810348 Pt\n0.811723 0.623445 0.310348 Pt\n0.376555 0.188277 0.310348 Pt\n0.811723 0.188277 0.310348 Pt\n",
"nsites": 20,
"nelements": 2,
"elements": [
"La",
"Pt"
],
"chemical_system": "La-Pt",
"density": 8.408113160346199,
"density_atomic": 0.03250844674635945,
"volume": 615.22471854918,
"volume_molar": 18.52484927067273,
"formula_full": "La14 Pt6",
"formula_reduced": "La7Pt3",
"formula_anonymous": "A3B7",
"energy": -121.12144282,
"energy_per_atom": -6.056072141,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -121.12144282,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0046995,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:20.959000Z",
"spacegroup": 186
},
{
"id": "mp-1194288",
"created_at": "2022-09-04T14:46:55.970628Z",
"structure_string": "Pa2 Be26\n1.0\n0.000000 5.107649 5.107649\n5.107649 0.000000 5.107649\n5.107649 5.107649 0.000000\nPa Be\n2 26\ndirect\n0.250000 0.250000 0.250000 Pa\n0.750000 0.750000 0.750000 Pa\n0.500000 0.500000 0.500000 Be\n0.000000 0.000000 0.000000 Be\n0.791038 0.559964 0.208962 Be\n0.208962 0.440036 0.791038 Be\n0.559964 0.791038 0.440036 Be\n0.440036 0.208962 0.559964 Be\n0.291038 0.940036 0.708962 Be\n0.708962 0.059964 0.291038 Be\n0.940036 0.291038 0.059964 Be\n0.059964 0.708962 0.940036 Be\n0.208962 0.791038 0.559964 Be\n0.791038 0.208962 0.440036 Be\n0.440036 0.559964 0.791038 Be\n0.559964 0.440036 0.208962 Be\n0.708962 0.291038 0.940036 Be\n0.291038 0.708962 0.059964 Be\n0.059964 0.940036 0.291038 Be\n0.940036 0.059964 0.708962 Be\n0.559964 0.208962 0.791038 Be\n0.440036 0.791038 0.208962 Be\n0.791038 0.440036 0.559964 Be\n0.208962 0.559964 0.440036 Be\n0.940036 0.708962 0.291038 Be\n0.059964 0.291038 0.708962 Be\n0.291038 0.059964 0.940036 Be\n0.708962 0.940036 0.059964 Be\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Pa",
"Be"
],
"chemical_system": "Be-Pa",
"density": 4.339178873563366,
"density_atomic": 0.10506665396138132,
"volume": 266.4974941553938,
"volume_molar": 5.731733649968065,
"formula_full": "Pa2 Be26",
"formula_reduced": "PaBe13",
"formula_anonymous": "AB13",
"energy": -119.77327266,
"energy_per_atom": -4.277616880714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -119.77327266,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0170578,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:45.865000Z",
"spacegroup": 226
},
{
"id": "mp-1027",
"created_at": "2022-09-04T14:46:14.201174Z",
"structure_string": "Hf1 Rh3\n1.0\n3.952285 0.000000 0.000000\n0.000000 3.952285 0.000000\n0.000000 0.000000 3.952285\nHf Rh\n1 3\ndirect\n0.000000 0.000000 0.000000 Hf\n0.500000 0.000000 0.500000 Rh\n0.000000 0.500000 0.500000 Rh\n0.500000 0.500000 0.000000 Rh\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Hf",
"Rh"
],
"chemical_system": "Hf-Rh",
"density": 13.104408081912483,
"density_atomic": 0.06479108145973461,
"volume": 61.73689202094674,
"volume_molar": 9.294706345876554,
"formula_full": "Hf1 Rh3",
"formula_reduced": "HfRh3",
"formula_anonymous": "AB3",
"energy": -35.03566384,
"energy_per_atom": -8.75891596,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.03566384,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024915,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:29.619000Z",
"spacegroup": 221
},
{
"id": "mp-1079523",
"created_at": "2022-09-04T14:46:14.632279Z",
"structure_string": "Co2 O8\n1.0\n6.476655 0.000000 0.000000\n0.000000 5.500213 0.000000\n0.000000 0.056702 5.515809\nCo O\n2 8\ndirect\n0.250000 0.675389 0.667965 Co\n0.750000 0.324611 0.332035 Co\n0.455362 0.808292 0.762065 O\n0.955362 0.191708 0.237935 O\n0.544638 0.191708 0.237935 O\n0.044638 0.808292 0.762065 O\n0.250000 0.679000 0.372104 O\n0.750000 0.321000 0.627896 O\n0.250000 0.396579 0.756478 O\n0.750000 0.603421 0.243522 O\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Co",
"O"
],
"chemical_system": "Co-O",
"density": 2.0777834967101976,
"density_atomic": 0.05089328792804899,
"volume": 196.48956487420548,
"volume_molar": 11.832878175436171,
"formula_full": "Co2 O8",
"formula_reduced": "CoO4",
"formula_anonymous": "AB4",
"energy": -54.29403329,
"energy_per_atom": -5.429403329,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.52203329,
"band_gap": 0.0161000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9991075,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:28.515000Z",
"spacegroup": 11
},
{
"id": "mp-1068446",
"created_at": "2022-09-04T14:46:56.073754Z",
"structure_string": "Sc1 Au4\n1.0\n-3.332762 3.332762 2.050032\n3.332762 -3.332762 2.050032\n3.332762 3.332762 -2.050032\nSc Au\n1 4\ndirect\n0.000000 0.000000 0.000000 Sc\n0.601246 0.797219 0.398464 Au\n0.398754 0.202781 0.601536 Au\n0.202781 0.601246 0.804027 Au\n0.797219 0.398754 0.195973 Au\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Sc",
"Au"
],
"chemical_system": "Au-Sc",
"density": 15.183509004789059,
"density_atomic": 0.05489600890002104,
"volume": 91.08130263360701,
"volume_molar": 10.970088501274804,
"formula_full": "Sc1 Au4",
"formula_reduced": "ScAu4",
"formula_anonymous": "AB4",
"energy": -22.16540617,
"energy_per_atom": -4.433081234,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.16540617,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008488,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:50.020000Z",
"spacegroup": 87
}
]
}