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=energy_per_atom&page=137",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_per_atom&page=135",
"results": [
{
"id": "mp-1226527",
"created_at": "2022-09-04T14:39:26.628460Z",
"structure_string": "Ce1 U1 N2\n1.0\n5.797232 -1.749749 0.000000\n5.797232 1.749749 0.000000\n5.269114 0.000000 2.984284\nCe U N\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 U\n0.239865 0.239865 0.239865 N\n0.760135 0.760135 0.760135 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ce",
"U",
"N"
],
"chemical_system": "Ce-N-U",
"density": 11.139811956244769,
"density_atomic": 0.06606834233047729,
"volume": 60.543368562083664,
"volume_molar": 9.115017189135665,
"formula_full": "Ce1 U1 N2",
"formula_reduced": "CeUN2",
"formula_anonymous": "ABC2",
"energy": -40.34089154,
"energy_per_atom": -10.085222885,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.61889154,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.8607698,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.942000Z",
"spacegroup": 166
},
{
"id": "mp-1101177",
"created_at": "2022-09-04T14:41:57.605206Z",
"structure_string": "Y2 Hf2 O7\n1.0\n4.807632 3.449647 0.000000\n-4.807632 3.449647 0.000000\n0.000000 0.980199 5.488387\nY Hf O\n2 2 7\ndirect\n0.690886 0.309114 0.000000 Y\n0.309114 0.690886 0.000000 Y\n0.743817 0.743817 0.397410 Hf\n0.256183 0.256183 0.602590 Hf\n0.940151 0.597480 0.199844 O\n0.597480 0.940151 0.199844 O\n0.559146 0.559146 0.726968 O\n0.000000 0.000000 0.500000 O\n0.440854 0.440854 0.273032 O\n0.402520 0.059849 0.800156 O\n0.059849 0.402520 0.800156 O\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Y",
"Hf",
"O"
],
"chemical_system": "Hf-O-Y",
"density": 5.899702594987712,
"density_atomic": 0.060424364152947316,
"volume": 182.04577167178107,
"volume_molar": 9.966411470638965,
"formula_full": "Y2 Hf2 O7",
"formula_reduced": "Y2Hf2O7",
"formula_anonymous": "A2B2C7",
"energy": -110.9369283,
"energy_per_atom": -10.085175300000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -106.1279283,
"band_gap": 4.4596,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002531,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:33.238000Z",
"spacegroup": 12
},
{
"id": "mp-1224723",
"created_at": "2022-09-04T14:41:54.463122Z",
"structure_string": "Gd3 Y13 O24\n1.0\n5.367127 7.590329 0.000000\n-5.367127 7.590329 0.000000\n0.000000 7.590053 7.585956\nGd Y O\n3 13 24\ndirect\n0.750273 0.750218 0.467221 Gd\n0.249782 0.249727 0.532779 Gd\n0.467767 0.532233 0.000000 Gd\n0.000949 0.500045 0.750417 Y\n0.499903 0.000691 0.750515 Y\n0.499955 0.999051 0.249583 Y\n0.999309 0.500097 0.249485 Y\n0.032999 0.967001 0.500000 Y\n0.784100 0.283122 0.216821 Y\n0.716878 0.215900 0.783179 Y\n0.249577 0.249379 0.032845 Y\n0.750621 0.750423 0.967155 Y\n0.532996 0.467004 0.500000 Y\n0.966884 0.033116 0.000000 Y\n0.217623 0.718370 0.282351 Y\n0.281630 0.782377 0.717649 Y\n0.031340 0.728779 0.760793 O\n0.469090 0.773092 0.021043 O\n0.271221 0.968660 0.239207 O\n0.226908 0.530910 0.978957 O\n0.739467 0.957253 0.021592 O\n0.042747 0.260533 0.978408 O\n0.457507 0.239230 0.781602 O\n0.760770 0.542493 0.218398 O\n0.228938 0.987665 0.793892 O\n0.487746 0.728807 0.489567 O\n0.271193 0.512254 0.510433 O\n0.012335 0.771062 0.206108 O\n0.966060 0.272120 0.741480 O\n0.533769 0.228172 0.479450 O\n0.727880 0.033940 0.258520 O\n0.771828 0.466231 0.520550 O\n0.261159 0.040332 0.478056 O\n0.959668 0.738841 0.521944 O\n0.540146 0.763574 0.718455 O\n0.236426 0.459854 0.281545 O\n0.770815 0.010338 0.707767 O\n0.510434 0.268355 0.011066 O\n0.731645 0.489566 0.988934 O\n0.989662 0.229185 0.292233 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Gd",
"Y",
"O"
],
"chemical_system": "Gd-O-Y",
"density": 5.404168255462978,
"density_atomic": 0.0647168251526029,
"volume": 618.0772914258328,
"volume_molar": 9.305371123814766,
"formula_full": "Gd3 Y13 O24",
"formula_reduced": "Gd3Y13O24",
"formula_anonymous": "A3B13C24",
"energy": -403.37243579000005,
"energy_per_atom": -10.08431089475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -386.88443579,
"band_gap": 3.4815000000000005,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 21.0021836,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:41.651000Z",
"spacegroup": 5
},
{
"id": "mp-766237",
"created_at": "2022-09-04T14:40:34.816767Z",
"structure_string": "Gd3 Y13 O24\n1.0\n9.285323 0.000000 0.000000\n-3.094749 8.765826 0.000000\n-3.095109 -4.382895 7.591389\nGd Y O\n3 13 24\ndirect\n0.249832 0.968131 0.218372 Gd\n0.782488 0.249551 0.532305 Gd\n0.967639 0.718307 0.749636 Gd\n0.000004 0.499329 0.000653 Y\n0.032725 0.283299 0.249866 Y\n0.283438 0.251571 0.033130 Y\n0.217616 0.749764 0.467445 Y\n0.749812 0.032937 0.783375 Y\n0.749683 0.533092 0.281524 Y\n0.499308 0.501200 0.499841 Y\n0.000165 0.999901 0.500037 Y\n0.467255 0.217477 0.751157 Y\n0.500508 0.999998 0.999417 Y\n0.532675 0.781806 0.249197 Y\n0.250794 0.466842 0.717210 Y\n0.716055 0.749626 0.966844 Y\n0.957634 0.488974 0.228416 O\n0.542852 0.271010 0.031716 O\n0.966449 0.737059 0.010940 O\n0.271353 0.542738 0.511279 O\n0.771470 0.761248 0.229014 O\n0.468401 0.957527 0.729437 O\n0.239819 0.011286 0.471199 O\n0.261177 0.232208 0.272037 O\n0.729524 0.271830 0.763372 O\n0.489299 0.531834 0.260490 O\n0.010443 0.771373 0.539515 O\n0.771057 0.031869 0.042700 O\n0.991624 0.227782 0.457531 O\n0.510606 0.467865 0.738554 O\n0.231273 0.971586 0.957839 O\n0.270907 0.726524 0.239908 O\n0.760333 0.986797 0.531511 O\n0.736378 0.770561 0.728418 O\n0.228238 0.239299 0.771007 O\n0.531499 0.039469 0.267811 O\n0.031350 0.260544 0.989031 O\n0.726306 0.457877 0.486668 O\n0.457597 0.728981 0.967779 O\n0.044418 0.510928 0.773817 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Gd",
"Y",
"O"
],
"chemical_system": "Gd-O-Y",
"density": 5.405807070304184,
"density_atomic": 0.0647364505396231,
"volume": 617.8899162152439,
"volume_molar": 9.302550124082014,
"formula_full": "Gd3 Y13 O24",
"formula_reduced": "Gd3Y13O24",
"formula_anonymous": "A3B13C24",
"energy": -403.37179817,
"energy_per_atom": -10.08429495425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -386.88379817,
"band_gap": 3.4495,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 21.0019859,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.733000Z",
"spacegroup": 1
},
{
"id": "mp-1079380",
"created_at": "2022-09-04T14:39:20.197777Z",
"structure_string": "Pu2 Fe2 C4\n1.0\n3.410402 0.000000 0.000000\n0.000000 3.410402 0.000000\n0.000000 0.000000 7.341770\nPu Fe C\n2 2 4\ndirect\n0.000000 0.500000 0.675390 Pu\n0.500000 0.000000 0.324610 Pu\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.500000 0.165015 C\n0.500000 0.000000 0.834985 C\n0.000000 0.500000 0.363833 C\n0.500000 0.000000 0.636167 C\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Pu",
"Fe",
"C"
],
"chemical_system": "C-Fe-Pu",
"density": 12.596011930611754,
"density_atomic": 0.09368672623896421,
"volume": 85.3909654137622,
"volume_molar": 6.427955166924596,
"formula_full": "Pu2 Fe2 C4",
"formula_reduced": "PuFeC2",
"formula_anonymous": "ABC2",
"energy": -80.67282217,
"energy_per_atom": -10.08410277125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -80.67282217,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.8667757,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:42.230000Z",
"spacegroup": 129
},
{
"id": "mp-1001834",
"created_at": "2022-09-04T14:41:18.333722Z",
"structure_string": "Hf1 N1\n1.0\n2.816176 0.000000 0.000000\n0.000000 2.816176 0.000000\n0.000000 0.000000 2.816176\nHf N\n1 1\ndirect\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Hf",
"N"
],
"chemical_system": "Hf-N",
"density": 14.311758759775891,
"density_atomic": 0.08954691254896106,
"volume": 22.3346617216587,
"volume_molar": 6.725123835740632,
"formula_full": "Hf1 N1",
"formula_reduced": "HfN",
"formula_anonymous": "AB",
"energy": -20.16805169,
"energy_per_atom": -10.084025845,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.80705169,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005003,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:13.357000Z",
"spacegroup": 221
},
{
"id": "mp-999355",
"created_at": "2022-09-04T14:47:57.804972Z",
"structure_string": "Nb2 N2\n1.0\n1.600289 -2.771781 0.000000\n1.600289 2.771781 0.000000\n0.000000 0.000000 6.065704\nNb N\n2 2\ndirect\n0.333333 0.666667 0.486399 Nb\n0.666667 0.333333 0.986399 Nb\n0.333333 0.666667 0.157601 N\n0.666667 0.333333 0.657601 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Nb",
"N"
],
"chemical_system": "N-Nb",
"density": 6.598441819071261,
"density_atomic": 0.07433467531727597,
"volume": 53.81068771642792,
"volume_molar": 8.101388395518297,
"formula_full": "Nb2 N2",
"formula_reduced": "NbN",
"formula_anonymous": "AB",
"energy": -40.33583315,
"energy_per_atom": -10.0839582875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.61383315,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005024,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:21.406000Z",
"spacegroup": 186
},
{
"id": "mp-1186833",
"created_at": "2022-09-04T14:41:24.497017Z",
"structure_string": "Pu2 Mn6\n1.0\n5.226269 -0.004781 0.000000\n-2.617278 4.530916 0.000000\n0.000000 0.000000 4.242848\nPu Mn\n2 6\ndirect\n0.333808 0.666419 0.750001 Pu\n0.667674 0.333458 0.250000 Pu\n0.164524 0.329664 0.250000 Mn\n0.670323 0.835330 0.250000 Mn\n0.164493 0.835065 0.250000 Mn\n0.835134 0.670659 0.750001 Mn\n0.329033 0.164638 0.750001 Mn\n0.835010 0.164765 0.750001 Mn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Pu",
"Mn"
],
"chemical_system": "Mn-Pu",
"density": 13.520704136866536,
"density_atomic": 0.07966807068905563,
"volume": 100.41664032789232,
"volume_molar": 7.559039283760752,
"formula_full": "Pu2 Mn6",
"formula_reduced": "PuMn3",
"formula_anonymous": "AB3",
"energy": -80.67021015,
"energy_per_atom": -10.08377626875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -80.67021015,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0166532,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:29.951000Z",
"spacegroup": 194
},
{
"id": "mp-1188869",
"created_at": "2022-09-04T14:40:28.641095Z",
"structure_string": "Nb8 N12\n1.0\n3.020249 0.000000 0.000000\n0.000000 8.188643 0.000000\n0.000000 0.000000 8.319983\nNb N\n8 12\ndirect\n0.250000 0.187207 0.477932 Nb\n0.250000 0.312793 0.977932 Nb\n0.750000 0.812793 0.522068 Nb\n0.750000 0.687207 0.022068 Nb\n0.250000 0.995730 0.805086 Nb\n0.250000 0.504270 0.305086 Nb\n0.750000 0.004270 0.194914 Nb\n0.750000 0.495730 0.694914 Nb\n0.250000 0.625746 0.545574 N\n0.250000 0.874254 0.045574 N\n0.750000 0.374254 0.454426 N\n0.750000 0.125746 0.954426 N\n0.250000 0.952032 0.378719 N\n0.250000 0.547968 0.878719 N\n0.750000 0.047968 0.621281 N\n0.750000 0.452032 0.121281 N\n0.250000 0.297404 0.721484 N\n0.250000 0.202596 0.221484 N\n0.750000 0.702596 0.278516 N\n0.750000 0.797404 0.778516 N\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Nb",
"N"
],
"chemical_system": "N-Nb",
"density": 7.354418253054613,
"density_atomic": 0.09719700209862975,
"volume": 205.76766328353614,
"volume_molar": 6.195809160748692,
"formula_full": "Nb8 N12",
"formula_reduced": "Nb2N3",
"formula_anonymous": "A2B3",
"energy": -201.67085465,
"energy_per_atom": -10.0835427325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -197.33885465,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020506,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:03.004000Z",
"spacegroup": 62
},
{
"id": "mp-1184430",
"created_at": "2022-09-04T14:42:44.768157Z",
"structure_string": "Eu2 Ti2 O5\n1.0\n3.956519 0.000000 0.000000\n0.000000 3.956519 0.000000\n0.000000 0.000000 7.472789\nEu Ti O\n2 2 5\ndirect\n0.000000 0.000000 0.000000 Eu\n0.000000 0.000000 0.500000 Eu\n0.500000 0.500000 0.236238 Ti\n0.500000 0.500000 0.763762 Ti\n0.500000 0.000000 0.224462 O\n0.500000 0.000000 0.775538 O\n0.500000 0.500000 0.500000 O\n0.000000 0.500000 0.224462 O\n0.000000 0.500000 0.775538 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Eu",
"Ti",
"O"
],
"chemical_system": "Eu-O-Ti",
"density": 6.80882957767655,
"density_atomic": 0.07693665109507086,
"volume": 116.97935732709071,
"volume_molar": 7.827401731534196,
"formula_full": "Eu2 Ti2 O5",
"formula_reduced": "Eu2Ti2O5",
"formula_anonymous": "A2B2C5",
"energy": -90.74164587,
"energy_per_atom": -10.082405096666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -87.30664587,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.9395109,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:53.884000Z",
"spacegroup": 123
},
{
"id": "mp-675993",
"created_at": "2022-09-04T14:40:58.131576Z",
"structure_string": "Zr16 N16 O8\n1.0\n8.862853 0.000000 0.000000\n-2.949995 8.366178 0.000000\n-2.950731 -4.168978 7.258617\nZr N O\n16 16 8\ndirect\n0.030056 0.243594 0.783320 Zr\n0.518263 0.511616 0.013689 Zr\n0.748502 0.217382 0.967815 Zr\n0.250946 0.295083 0.536900 Zr\n0.716685 0.475040 0.755145 Zr\n0.219954 0.966737 0.755211 Zr\n0.007176 0.002901 0.990968 Zr\n0.464568 0.746010 0.708249 Zr\n0.538868 0.253220 0.284780 Zr\n0.491165 0.984165 0.493325 Zr\n0.987499 0.484514 0.491818 Zr\n0.781172 0.036139 0.256392 Zr\n0.281999 0.530336 0.250850 Zr\n0.744308 0.711058 0.463103 Zr\n0.251408 0.790680 0.041657 Zr\n0.963832 0.744912 0.205828 Zr\n0.467282 0.014018 0.741386 N\n0.510730 0.543789 0.771760 N\n0.965848 0.730949 0.958052 N\n0.228408 0.489644 0.457979 N\n0.772121 0.509936 0.543984 N\n0.988876 0.259938 0.534146 N\n0.957415 0.969259 0.726908 N\n0.548695 0.775894 0.516279 N\n0.227985 0.760592 0.273532 N\n0.028687 0.271314 0.040512 N\n0.271219 0.042246 0.029655 N\n0.482951 0.452776 0.221931 N\n0.762770 0.272883 0.227512 N\n0.533325 0.989532 0.263413 N\n0.732913 0.772222 0.239385 N\n0.739838 0.465671 0.011418 N\n0.258430 0.533298 0.979766 O\n0.269780 0.228299 0.762422 O\n0.236701 0.726918 0.772202 O\n0.728025 0.951795 0.971099 O\n0.772078 0.241231 0.723266 O\n0.450759 0.224823 0.488261 O\n0.051070 0.038514 0.274671 O\n0.017694 0.741070 0.471410 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Zr",
"N",
"O"
],
"chemical_system": "N-O-Zr",
"density": 5.589559629146152,
"density_atomic": 0.07431995931473367,
"volume": 538.213427036553,
"volume_molar": 8.10299254134028,
"formula_full": "Zr16 N16 O8",
"formula_reduced": "Zr2N2O",
"formula_anonymous": "AB2C2",
"energy": -403.26931037,
"energy_per_atom": -10.08173275925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -391.99731037,
"band_gap": 1.6587,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0049034,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.175000Z",
"spacegroup": 1
},
{
"id": "mp-1219663",
"created_at": "2022-09-04T14:47:43.920976Z",
"structure_string": "Pu1 Zr4 C5\n1.0\n13.867709 -1.682770 0.000000\n13.867709 1.682770 0.000000\n13.663514 0.000000 2.907482\nPu Zr C\n1 4 5\ndirect\n0.000000 0.000000 0.000000 Pu\n0.597174 0.597174 0.597174 Zr\n0.199068 0.199068 0.199068 Zr\n0.800932 0.800932 0.800932 Zr\n0.402826 0.402826 0.402826 Zr\n0.700895 0.700895 0.700895 C\n0.500000 0.500000 0.500000 C\n0.100609 0.100609 0.100609 C\n0.299105 0.299105 0.299105 C\n0.899391 0.899391 0.899391 C\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Pu",
"Zr",
"C"
],
"chemical_system": "C-Pu-Zr",
"density": 8.185890289695257,
"density_atomic": 0.07369253372264702,
"volume": 135.69895747697467,
"volume_molar": 8.171982229115958,
"formula_full": "Pu1 Zr4 C5",
"formula_reduced": "PuZr4C5",
"formula_anonymous": "AB4C5",
"energy": -100.8163047,
"energy_per_atom": -10.08163047,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -100.8163047,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.7378893,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:20.644000Z",
"spacegroup": 166
}
]
}