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=-total_magnetization&page=10242",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-total_magnetization&page=10240",
"results": [
{
"id": "mp-3901",
"created_at": "2022-09-04T14:46:35.680456Z",
"structure_string": "Nd2 Nb2 O8\n1.0\n5.756616 3.713483 0.000000\n-5.756616 3.713483 0.000000\n0.000000 3.571865 3.888145\nNd Nb O\n2 2 8\ndirect\n0.372722 0.627278 0.750000 Nd\n0.627278 0.372722 0.250000 Nd\n0.888003 0.111997 0.750000 Nb\n0.111997 0.888003 0.250000 Nb\n0.946838 0.363219 0.841544 O\n0.636781 0.053162 0.658456 O\n0.053162 0.636781 0.158456 O\n0.363219 0.946838 0.341544 O\n0.281636 0.212602 0.818122 O\n0.787398 0.718364 0.681878 O\n0.718364 0.787398 0.181878 O\n0.212602 0.281636 0.318122 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Nd",
"Nb",
"O"
],
"chemical_system": "Nb-Nd-O",
"density": 6.0163766137649795,
"density_atomic": 0.07218718346322077,
"volume": 166.23449515957327,
"volume_molar": 8.342396075154074,
"formula_full": "Nd2 Nb2 O8",
"formula_reduced": "NdNbO4",
"formula_anonymous": "ABC4",
"energy": -111.53289597999998,
"energy_per_atom": -9.294407998333332,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -106.03689598,
"band_gap": 3.6592,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001618,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:39.726000Z",
"spacegroup": 15
},
{
"id": "mp-1095218",
"created_at": "2022-09-04T14:46:27.517181Z",
"structure_string": "Ba2 Th2 Te8\n1.0\n3.303736 8.147307 0.000000\n-3.303736 8.147307 0.000000\n0.000000 6.649319 8.137715\nBa Th Te\n2 2 8\ndirect\n0.902589 0.902589 0.303054 Ba\n0.097411 0.097411 0.696946 Ba\n0.642171 0.642171 0.217812 Th\n0.357829 0.357829 0.782188 Th\n0.106607 0.606523 0.045362 Te\n0.393477 0.893393 0.954638 Te\n0.893393 0.393477 0.954638 Te\n0.606523 0.106607 0.045362 Te\n0.102169 0.102169 0.346764 Te\n0.897831 0.897831 0.653236 Te\n0.611112 0.611112 0.553325 Te\n0.388888 0.388888 0.446675 Te\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ba",
"Th",
"Te"
],
"chemical_system": "Ba-Te-Th",
"density": 6.669509790348632,
"density_atomic": 0.0273923541166031,
"volume": 438.07844878606255,
"volume_molar": 21.984750687600997,
"formula_full": "Ba2 Th2 Te8",
"formula_reduced": "BaThTe4",
"formula_anonymous": "ABC4",
"energy": -62.01376466,
"energy_per_atom": -5.167813721666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -58.63776466,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001618,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:35.207000Z",
"spacegroup": 12
},
{
"id": "mp-1246812",
"created_at": "2022-09-04T14:44:08.637468Z",
"structure_string": "Sr2 Mg1 N2\n1.0\n3.694387 -1.020628 0.481075\n-2.731083 4.730374 0.000000\n1.279569 0.738759 7.249091\nSr Mg N\n2 1 2\ndirect\n0.670125 0.335062 0.329744 Sr\n0.329875 0.664938 0.670256 Sr\n0.000000 0.000000 0.000000 Mg\n0.288105 0.144052 0.711887 N\n0.711895 0.855948 0.288113 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Mg",
"N"
],
"chemical_system": "Mg-N-Sr",
"density": 3.6831139605855343,
"density_atomic": 0.0487352493105774,
"volume": 102.59514562316623,
"volume_molar": 12.356848164708097,
"formula_full": "Sr2 Mg1 N2",
"formula_reduced": "Sr2MgN2",
"formula_anonymous": "AB2C2",
"energy": -24.8494939,
"energy_per_atom": -4.969898779999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.1274939,
"band_gap": 0.1204,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001618,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:32.354000Z",
"spacegroup": 139
},
{
"id": "mp-1078636",
"created_at": "2022-09-04T14:42:50.506665Z",
"structure_string": "Ba4 Zn2 As4\n1.0\n-3.322647 3.486362 6.790162\n3.322647 -3.486362 6.790162\n3.322647 3.486362 -6.790162\nBa Zn As\n4 2 4\ndirect\n0.665564 0.860949 0.804615 Ba\n0.334436 0.139051 0.195385 Ba\n0.943665 0.639051 0.304615 Ba\n0.056335 0.360949 0.695385 Ba\n0.500000 0.250000 0.750000 Zn\n0.500000 0.750000 0.250000 Zn\n0.405803 0.608140 0.797662 As\n0.594197 0.391860 0.202338 As\n0.189522 0.891860 0.297662 As\n0.810478 0.108140 0.702338 As\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ba",
"Zn",
"As"
],
"chemical_system": "As-Ba-Zn",
"density": 5.171246242823318,
"density_atomic": 0.03178360754534762,
"volume": 314.6275949239679,
"volume_molar": 18.94731663612396,
"formula_full": "Ba4 Zn2 As4",
"formula_reduced": "Ba2ZnAs2",
"formula_anonymous": "AB2C2",
"energy": -38.33403321,
"energy_per_atom": -3.833403321,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.33403321,
"band_gap": 0.6404000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001618,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:51.641000Z",
"spacegroup": 72
},
{
"id": "mp-728030",
"created_at": "2022-09-04T14:39:24.024667Z",
"structure_string": "K6 Cr6 As3 H3 O30\n1.0\n3.935332 -6.816195 0.000000\n3.935332 6.816195 0.000000\n0.000000 0.000000 14.649173\nK Cr As H O\n6 6 3 3 30\ndirect\n0.564238 0.019886 0.013250 K\n0.455648 0.435762 0.679917 K\n0.980114 0.544352 0.346584 K\n0.389406 0.394977 0.185966 K\n0.005570 0.610594 0.852632 K\n0.605023 0.994430 0.519299 K\n0.571687 0.993989 0.272819 Cr\n0.422302 0.428313 0.939486 Cr\n0.006011 0.577698 0.606153 Cr\n0.997300 0.579217 0.096615 Cr\n0.581917 0.002700 0.763281 Cr\n0.420783 0.418083 0.429948 Cr\n0.873677 0.893779 0.167942 As\n0.020102 0.126323 0.834608 As\n0.106221 0.979898 0.501275 As\n0.952414 0.969636 0.980800 H\n0.017223 0.047586 0.647467 H\n0.030364 0.982777 0.314134 H\n0.748548 0.138222 0.340618 O\n0.389674 0.251452 0.007285 O\n0.861778 0.610326 0.673951 O\n0.530747 0.121675 0.197781 O\n0.590928 0.469253 0.864447 O\n0.878325 0.409072 0.531114 O\n0.376649 0.855903 0.332748 O\n0.479255 0.623351 0.999415 O\n0.144097 0.520745 0.666081 O\n0.642503 0.831919 0.211703 O\n0.189415 0.357497 0.878369 O\n0.168081 0.810585 0.545036 O\n0.910384 0.012187 0.068860 O\n0.101802 0.089616 0.735527 O\n0.987813 0.898198 0.402193 O\n0.057183 0.034172 0.245011 O\n0.976989 0.942817 0.911677 O\n0.965828 0.023011 0.578344 O\n0.846962 0.658760 0.162342 O\n0.811797 0.153038 0.829008 O\n0.341240 0.188203 0.495675 O\n0.168027 0.765987 0.042430 O\n0.597960 0.831973 0.709096 O\n0.234013 0.402040 0.375763 O\n0.090954 0.491440 0.168798 O\n0.400486 0.909046 0.835465 O\n0.508560 0.599514 0.502132 O\n0.856736 0.413304 0.023171 O\n0.556569 0.143264 0.689837 O\n0.586696 0.443431 0.356504 O\n",
"nsites": 48,
"nelements": 5,
"elements": [
"K",
"Cr",
"As",
"H",
"O"
],
"chemical_system": "As-Cr-H-K-O",
"density": 2.650311070234495,
"density_atomic": 0.06107658560186576,
"volume": 785.8985489610228,
"volume_molar": 9.85998267692298,
"formula_full": "K6 Cr6 As3 H3 O30",
"formula_reduced": "K2Cr2AsHO10",
"formula_anonymous": "ABC2D2E10",
"energy": -323.27532908,
"energy_per_atom": -6.734902689166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -290.67132908,
"band_gap": 2.6899,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001617,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:38.634000Z",
"spacegroup": 144
},
{
"id": "mp-554116",
"created_at": "2022-09-04T14:43:13.359744Z",
"structure_string": "Ba2 Pb4 Br2 F10\n1.0\n6.042602 0.000000 0.000000\n0.000000 6.042602 0.000000\n0.000000 0.000000 9.874002\nBa Pb Br F\n2 4 2 10\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.000000 Ba\n0.000000 0.500000 0.321544 Pb\n0.500000 0.000000 0.678456 Pb\n0.500000 0.000000 0.276022 Pb\n0.000000 0.500000 0.723978 Pb\n0.500000 0.500000 0.500000 Br\n0.000000 0.000000 0.500000 Br\n0.000000 0.500000 0.959592 F\n0.265498 0.234502 0.811873 F\n0.234502 0.265498 0.188127 F\n0.500000 0.000000 0.040408 F\n0.734502 0.765498 0.811873 F\n0.234502 0.734502 0.188127 F\n0.265498 0.765498 0.811873 F\n0.734502 0.234502 0.811873 F\n0.765498 0.265498 0.188127 F\n0.765498 0.734502 0.188127 F\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ba",
"Pb",
"Br",
"F"
],
"chemical_system": "Ba-Br-F-Pb",
"density": 6.693404205418841,
"density_atomic": 0.04992652210769527,
"volume": 360.5298194248869,
"volume_molar": 12.062007337522507,
"formula_full": "Ba2 Pb4 Br2 F10",
"formula_reduced": "BaPb2BrF5",
"formula_anonymous": "ABC2D5",
"energy": -94.08770089,
"energy_per_atom": -5.227094493888888,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -88.39970089,
"band_gap": 3.2598,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001617,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:05.562000Z",
"spacegroup": 129
},
{
"id": "mp-867212",
"created_at": "2022-09-04T14:43:38.028054Z",
"structure_string": "Tc2 Os6\n1.0\n2.761816 -4.783606 0.000000\n2.761816 4.783606 0.000000\n0.000000 0.000000 4.357727\nTc Os\n2 6\ndirect\n0.333333 0.666667 0.750000 Tc\n0.666667 0.333333 0.250000 Tc\n0.167377 0.334754 0.250000 Os\n0.665246 0.832623 0.250000 Os\n0.167377 0.832623 0.250000 Os\n0.832623 0.665246 0.750000 Os\n0.334754 0.167377 0.750000 Os\n0.832623 0.167377 0.750000 Os\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Tc",
"Os"
],
"chemical_system": "Os-Tc",
"density": 19.28695927323999,
"density_atomic": 0.06947840321582621,
"volume": 115.1436940073158,
"volume_molar": 8.667644161730303,
"formula_full": "Tc2 Os6",
"formula_reduced": "TcOs3",
"formula_anonymous": "AB3",
"energy": -88.68780414,
"energy_per_atom": -11.0859755175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -88.68780414,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001616,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:18.303000Z",
"spacegroup": 194
},
{
"id": "mp-1176797",
"created_at": "2022-09-04T14:41:15.621663Z",
"structure_string": "Li1 Bi1 B2 O6\n1.0\n5.411433 -2.439251 0.000000\n5.411433 2.439251 0.000000\n4.311920 0.000000 4.079326\nLi Bi B O\n1 1 2 6\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Bi\n0.254532 0.254532 0.254532 B\n0.745468 0.745468 0.745468 B\n0.746058 0.031291 0.463879 O\n0.968709 0.536121 0.253942 O\n0.536121 0.253942 0.968709 O\n0.463879 0.746058 0.031291 O\n0.031291 0.463879 0.746058 O\n0.253942 0.968709 0.536121 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Li",
"Bi",
"B",
"O"
],
"chemical_system": "B-Bi-Li-O",
"density": 5.142917704866377,
"density_atomic": 0.09285660765673093,
"volume": 107.69292840168846,
"volume_molar": 6.485419736915698,
"formula_full": "Li1 Bi1 B2 O6",
"formula_reduced": "LiBi(BO3)2",
"formula_anonymous": "ABC2D6",
"energy": -71.15966888,
"energy_per_atom": -7.115966888,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.03766888,
"band_gap": 1.3642,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001616,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:15.031000Z",
"spacegroup": 148
},
{
"id": "mp-18850",
"created_at": "2022-09-04T14:48:08.559047Z",
"structure_string": "Ba1 Y1 Mn2 O5\n1.0\n-2.812242 -2.811539 0.000000\n-2.812242 2.811539 0.000000\n-0.000001 0.000000 -7.786648\nBa Y Mn O\n1 1 2 5\ndirect\n0.000000 0.500000 0.999966 Ba\n0.000000 0.500000 0.500003 Y\n0.500000 0.000000 0.267113 Mn\n0.500000 0.000000 0.732952 Mn\n0.500000 0.000000 0.999995 O\n0.000000 0.000000 0.318379 O\n0.500000 0.500000 0.318379 O\n0.000000 0.000000 0.681607 O\n0.500000 0.500000 0.681607 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Ba",
"Y",
"Mn",
"O"
],
"chemical_system": "Ba-Mn-O-Y",
"density": 5.611457428877989,
"density_atomic": 0.07309121293826319,
"volume": 123.13381647670684,
"volume_molar": 8.239213057097066,
"formula_full": "Ba1 Y1 Mn2 O5",
"formula_reduced": "BaYMn2O5",
"formula_anonymous": "ABC2D5",
"energy": -76.57439452,
"energy_per_atom": -8.508266057777778,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -69.80339452,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0001615,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:27.392000Z",
"spacegroup": 123
},
{
"id": "mp-1215527",
"created_at": "2022-09-04T14:39:21.472603Z",
"structure_string": "Zn1 Cd1 Te1 Se1\n1.0\n-3.090663 -3.090663 0.000000\n0.000000 3.090663 -3.090663\n3.133950 -3.133950 -6.224613\nZn Cd Te Se\n1 1 1 1\ndirect\n0.369850 0.739700 0.890450 Zn\n0.881705 0.763411 0.354884 Cd\n0.493314 0.986627 0.520059 Te\n0.005131 0.010262 0.984607 Se\n",
"nsites": 4,
"nelements": 4,
"elements": [
"Zn",
"Cd",
"Te",
"Se"
],
"chemical_system": "Cd-Se-Te-Zn",
"density": 5.348804983095197,
"density_atomic": 0.03352022115315076,
"volume": 119.33095493983689,
"volume_molar": 17.965695191822878,
"formula_full": "Zn1 Cd1 Te1 Se1",
"formula_reduced": "ZnCdTeSe",
"formula_anonymous": "ABCD",
"energy": -11.6840021,
"energy_per_atom": -2.921000525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.7900021,
"band_gap": 0.0043999999999999,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001615,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:32.545000Z",
"spacegroup": 160
},
{
"id": "mp-1400406",
"created_at": "2022-09-04T14:46:00.881732Z",
"structure_string": "Zn2 Co4 S8\n1.0\n0.000000 4.812291 4.812291\n4.812291 0.000000 4.812291\n4.812291 4.812291 0.000000\nZn Co S\n2 4 8\ndirect\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Zn\n0.625000 0.625000 0.625000 Co\n0.125000 0.625000 0.625000 Co\n0.625000 0.125000 0.625000 Co\n0.625000 0.625000 0.125000 Co\n0.858922 0.858922 0.858922 S\n0.826767 0.391078 0.391078 S\n0.391078 0.391078 0.826767 S\n0.391078 0.826767 0.391078 S\n0.858922 0.858922 0.423233 S\n0.858922 0.423233 0.858922 S\n0.391078 0.391078 0.391078 S\n0.423233 0.858922 0.858922 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Zn",
"Co",
"S"
],
"chemical_system": "Co-S-Zn",
"density": 4.641954108247418,
"density_atomic": 0.06281196731995904,
"volume": 222.88746233158312,
"volume_molar": 9.587569084285654,
"formula_full": "Zn2 Co4 S8",
"formula_reduced": "Zn(CoS2)2",
"formula_anonymous": "AB2C4",
"energy": -75.19247764,
"energy_per_atom": -5.3708912600000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -71.16847764,
"band_gap": 0.7452000000000005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001615,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:16.526000Z",
"spacegroup": 227
},
{
"id": "mp-1113318",
"created_at": "2022-09-04T14:40:51.484999Z",
"structure_string": "Na2 Li1 Tb1 Cl6\n1.0\n0.000000 5.144767 5.144767\n5.144767 0.000000 5.144767\n5.144767 5.144767 0.000000\nNa Li Tb Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Tb\n0.744915 0.255085 0.255085 Cl\n0.255085 0.255085 0.744915 Cl\n0.255085 0.744915 0.744915 Cl\n0.255085 0.744915 0.255085 Cl\n0.744915 0.255085 0.744915 Cl\n0.744915 0.744915 0.255085 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Li",
"Tb",
"Cl"
],
"chemical_system": "Cl-Li-Na-Tb",
"density": 2.588600444647279,
"density_atomic": 0.03671748039458765,
"volume": 272.3498424329261,
"volume_molar": 16.401290870949015,
"formula_full": "Na2 Li1 Tb1 Cl6",
"formula_reduced": "Na2LiTbCl6",
"formula_anonymous": "ABC2D6",
"energy": -42.72199737999999,
"energy_per_atom": -4.272199737999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.03799738,
"band_gap": 3.96,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001615,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:09.087000Z",
"spacegroup": 225
}
]
}