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=-density_atomic&page=10153",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-density_atomic&page=10151",
"results": [
{
"id": "mp-998173",
"created_at": "2022-09-04T14:44:26.815782Z",
"structure_string": "Rb1 Pd1 Cl3\n1.0\n5.006532 0.000000 0.000000\n0.000000 5.006532 0.000000\n0.000000 0.000000 5.006532\nRb Pd Cl\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Pd\n0.000000 0.500000 0.500000 Cl\n0.500000 0.000000 0.500000 Cl\n0.500000 0.500000 0.000000 Cl\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rb",
"Pd",
"Cl"
],
"chemical_system": "Cl-Pd-Rb",
"density": 3.946516301287615,
"density_atomic": 0.039843640713331664,
"volume": 125.490540284061,
"volume_molar": 15.114433952781315,
"formula_full": "Rb1 Pd1 Cl3",
"formula_reduced": "RbPdCl3",
"formula_anonymous": "ABC3",
"energy": -18.89185215,
"energy_per_atom": -3.77837043,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.04985215,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001213,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:39.828000Z",
"spacegroup": 221
},
{
"id": "mp-971794",
"created_at": "2022-09-04T14:45:23.816013Z",
"structure_string": "Y2 Mg6\n1.0\n3.349006 -5.800649 0.000000\n3.349006 5.800649 0.000000\n0.000000 0.000000 5.167904\nY Mg\n2 6\ndirect\n0.666667 0.333333 0.250000 Y\n0.333333 0.666667 0.750000 Y\n0.162330 0.324660 0.250000 Mg\n0.162330 0.837670 0.250000 Mg\n0.675340 0.837670 0.250000 Mg\n0.324660 0.162330 0.750000 Mg\n0.837670 0.162330 0.750000 Mg\n0.837670 0.675340 0.750000 Mg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Y",
"Mg"
],
"chemical_system": "Mg-Y",
"density": 2.676557794668156,
"density_atomic": 0.039843092648041485,
"volume": 200.78762636898986,
"volume_molar": 15.114641860754308,
"formula_full": "Y2 Mg6",
"formula_reduced": "YMg3",
"formula_anonymous": "AB3",
"energy": -23.19441114,
"energy_per_atom": -2.8993013925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.19441114,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008666,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:05.235000Z",
"spacegroup": 194
},
{
"id": "mp-556194",
"created_at": "2022-09-04T14:41:07.683027Z",
"structure_string": "Sr2 Sb2 Se4 F2\n1.0\n4.124000 0.000000 0.000000\n0.000000 4.124000 0.000000\n0.000000 0.000000 14.757428\nSr Sb Se F\n2 2 4 2\ndirect\n0.500000 0.000000 0.598299 Sr\n0.000000 0.500000 0.401701 Sr\n0.500000 0.000000 0.137093 Sb\n0.000000 0.500000 0.862907 Sb\n0.000000 0.500000 0.689715 Se\n0.000000 0.500000 0.112633 Se\n0.500000 0.000000 0.887367 Se\n0.500000 0.000000 0.310285 Se\n0.000000 0.000000 0.500000 F\n0.500000 0.500000 0.500000 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sr",
"Sb",
"Se",
"F"
],
"chemical_system": "F-Sb-Se-Sr",
"density": 5.111566554445695,
"density_atomic": 0.03984299837977946,
"volume": 250.98512678892797,
"volume_molar": 15.11467762189371,
"formula_full": "Sr2 Sb2 Se4 F2",
"formula_reduced": "SrSbSe2F",
"formula_anonymous": "ABCD2",
"energy": -49.32560583,
"energy_per_atom": -4.932560583,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.51360583,
"band_gap": 0.1201000000000003,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.000487,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:13.493000Z",
"spacegroup": 129
},
{
"id": "mp-1213286",
"created_at": "2022-09-04T14:48:18.154737Z",
"structure_string": "Dy12 Co4 Sn2\n1.0\n-4.675533 4.840325 4.990635\n4.675533 -4.840325 4.990635\n4.675533 4.840325 -4.990635\nDy Co Sn\n12 4 2\ndirect\n0.443593 0.233851 0.209742 Dy\n0.556407 0.766149 0.790258 Dy\n0.024108 0.233851 0.790258 Dy\n0.975892 0.766149 0.209742 Dy\n0.185396 0.285694 0.471090 Dy\n0.814604 0.714306 0.528910 Dy\n0.185396 0.714306 0.899702 Dy\n0.814604 0.285694 0.100298 Dy\n0.322111 0.632761 0.310650 Dy\n0.677889 0.367239 0.689350 Dy\n0.322111 0.011461 0.689350 Dy\n0.677889 0.988539 0.310650 Dy\n0.352840 0.000000 0.352840 Co\n0.647160 0.000000 0.647160 Co\n0.112152 0.612152 0.500000 Co\n0.887848 0.387848 0.500000 Co\n0.500000 0.500000 0.000000 Sn\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Dy",
"Co",
"Sn"
],
"chemical_system": "Co-Dy-Sn",
"density": 8.906528169020232,
"density_atomic": 0.03984291052564373,
"volume": 451.7742243859123,
"volume_molar": 15.11471094995438,
"formula_full": "Dy12 Co4 Sn2",
"formula_reduced": "Dy6Co2Sn",
"formula_anonymous": "AB2C6",
"energy": -97.68594856,
"energy_per_atom": -5.4269971422222225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -97.68594856,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000184,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:10.162000Z",
"spacegroup": 71
},
{
"id": "mp-1178361",
"created_at": "2022-09-04T14:43:58.997560Z",
"structure_string": "Dy2 Cl2 O2\n1.0\n3.793913 0.000000 0.000000\n0.000000 4.190825 0.000000\n0.000000 0.000000 9.471542\nDy Cl O\n2 2 2\ndirect\n0.500000 0.000000 0.112557 Dy\n0.000000 0.500000 0.887443 Dy\n0.000000 0.000000 0.313938 Cl\n0.500000 0.500000 0.686062 Cl\n0.000000 0.000000 0.973365 O\n0.500000 0.500000 0.026635 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Dy",
"Cl",
"O"
],
"chemical_system": "Cl-Dy-O",
"density": 4.718333915768068,
"density_atomic": 0.03984223266940224,
"volume": 150.5939702171319,
"volume_molar": 15.114968104246936,
"formula_full": "Dy2 Cl2 O2",
"formula_reduced": "DyClO",
"formula_anonymous": "ABC",
"energy": -43.84285925,
"energy_per_atom": -7.307143208333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.24085925,
"band_gap": 5.1946,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0004904,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:27.347000Z",
"spacegroup": 59
},
{
"id": "mp-13093",
"created_at": "2022-09-04T14:40:36.263100Z",
"structure_string": "La3 Ni2 Sn7\n1.0\n2.327991 -13.898903 0.000000\n2.327991 13.898903 0.000000\n0.000000 0.000000 4.654226\nLa Ni Sn\n3 2 7\ndirect\n0.184349 0.815651 0.000000 La\n0.815651 0.184349 0.000000 La\n0.500000 0.500000 0.500000 La\n0.372009 0.627991 0.500000 Ni\n0.627991 0.372009 0.500000 Ni\n0.089350 0.910650 0.500000 Sn\n0.910650 0.089350 0.500000 Sn\n0.281510 0.718490 0.500000 Sn\n0.718490 0.281510 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.589208 0.410792 0.000000 Sn\n0.410792 0.589208 0.000000 Sn\n",
"nsites": 12,
"nelements": 3,
"elements": [
"La",
"Ni",
"Sn"
],
"chemical_system": "La-Ni-Sn",
"density": 7.526026729363491,
"density_atomic": 0.03984207617120722,
"volume": 301.18912348930434,
"volume_molar": 15.115027475280108,
"formula_full": "La3 Ni2 Sn7",
"formula_reduced": "La3Ni2Sn7",
"formula_anonymous": "A2B3C7",
"energy": -62.16539488,
"energy_per_atom": -5.180449573333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -62.16539488,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001102,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.265000Z",
"spacegroup": 65
},
{
"id": "mp-1105737",
"created_at": "2022-09-04T14:39:36.071014Z",
"structure_string": "Dy10 Ge6\n1.0\n4.254604 -7.369191 0.000000\n4.254604 7.369191 0.000000\n0.000000 0.000000 6.404456\nDy Ge\n10 6\ndirect\n0.666667 0.333333 0.000000 Dy\n0.333333 0.666667 0.000000 Dy\n0.333333 0.666667 0.500000 Dy\n0.666667 0.333333 0.500000 Dy\n0.757641 0.757641 0.750000 Dy\n0.242359 0.000000 0.750000 Dy\n0.000000 0.242359 0.750000 Dy\n0.242359 0.242359 0.250000 Dy\n0.757641 0.000000 0.250000 Dy\n0.000000 0.757641 0.250000 Dy\n0.392980 0.392980 0.750000 Ge\n0.607020 0.000000 0.750000 Ge\n0.000000 0.607020 0.750000 Ge\n0.607020 0.607020 0.250000 Ge\n0.392980 0.000000 0.250000 Ge\n0.000000 0.392980 0.250000 Ge\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Dy",
"Ge"
],
"chemical_system": "Dy-Ge",
"density": 8.5212277623038,
"density_atomic": 0.039840867258280725,
"volume": 401.5976835111309,
"volume_molar": 15.11548611871226,
"formula_full": "Dy10 Ge6",
"formula_reduced": "Dy5Ge3",
"formula_anonymous": "A3B5",
"energy": -86.51299909,
"energy_per_atom": -5.407062443125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -86.51299909,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0034898,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:24.182000Z",
"spacegroup": 193
},
{
"id": "mp-1221890",
"created_at": "2022-09-04T14:45:08.416291Z",
"structure_string": "Mn2 Cd1 Te3\n1.0\n2.038287 -3.530417 0.000000\n2.038287 3.530417 0.000000\n0.000000 0.000000 10.464250\nMn Cd Te\n2 1 3\ndirect\n0.333333 0.666667 0.659367 Mn\n0.666667 0.333333 0.340633 Mn\n0.000000 0.000000 0.000000 Cd\n0.000000 0.000000 0.500000 Te\n0.333333 0.666667 0.190909 Te\n0.666667 0.333333 0.809091 Te\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Mn",
"Cd",
"Te"
],
"chemical_system": "Cd-Mn-Te",
"density": 6.671715856683583,
"density_atomic": 0.039840227310310505,
"volume": 150.60155036934796,
"volume_molar": 15.115728916640723,
"formula_full": "Mn2 Cd1 Te3",
"formula_reduced": "Mn2CdTe3",
"formula_anonymous": "AB2C3",
"energy": -30.70252793,
"energy_per_atom": -5.117087988333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.436527930000004,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.7095561,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:50.314000Z",
"spacegroup": 164
},
{
"id": "mp-1199978",
"created_at": "2022-09-04T14:45:20.211434Z",
"structure_string": "Ho22 In12 Si8\n1.0\n-5.718762 5.718762 8.058699\n5.718762 -5.718762 8.058699\n5.718762 5.718762 -8.058699\nHo In Si\n22 12 8\ndirect\n0.683803 0.934794 0.250991 Ho\n0.683803 0.432811 0.749009 Ho\n0.934794 0.683803 0.250991 Ho\n0.432811 0.683803 0.749009 Ho\n0.316197 0.065206 0.749009 Ho\n0.316197 0.567189 0.250991 Ho\n0.065206 0.316197 0.749009 Ho\n0.567189 0.316197 0.250991 Ho\n0.898568 0.245605 0.347037 Ho\n0.898568 0.551531 0.652963 Ho\n0.245605 0.898568 0.347037 Ho\n0.551531 0.898568 0.652963 Ho\n0.101432 0.754395 0.652963 Ho\n0.101432 0.448469 0.347037 Ho\n0.754395 0.101432 0.652963 Ho\n0.448469 0.101432 0.347037 Ho\n0.331971 0.331971 0.663942 Ho\n0.668029 0.668029 0.336058 Ho\n0.331971 0.668029 0.000000 Ho\n0.668029 0.331971 0.000000 Ho\n0.828365 0.828365 0.000000 Ho\n0.171635 0.171635 0.000000 Ho\n0.033903 0.033903 0.410688 In\n0.623215 0.623215 0.589312 In\n0.033903 0.623215 0.000000 In\n0.623215 0.033903 0.000000 In\n0.966097 0.966097 0.589312 In\n0.376785 0.376785 0.410688 In\n0.966097 0.376785 0.000000 In\n0.376785 0.966097 0.000000 In\n0.128709 0.128709 0.257418 In\n0.871291 0.871291 0.742582 In\n0.128709 0.871291 0.000000 In\n0.871291 0.128709 0.000000 In\n0.152462 0.500000 0.652462 Si\n0.847538 0.500000 0.347538 Si\n0.500000 0.847538 0.347538 Si\n0.500000 0.152462 0.652462 Si\n0.616623 0.616623 0.000000 Si\n0.383377 0.383377 0.000000 Si\n0.750000 0.250000 0.500000 Si\n0.250000 0.750000 0.500000 Si\n",
"nsites": 42,
"nelements": 3,
"elements": [
"Ho",
"In",
"Si"
],
"chemical_system": "Ho-In-Si",
"density": 8.239523742429546,
"density_atomic": 0.03984009073694426,
"volume": 1054.2144664608616,
"volume_molar": 15.115780733941921,
"formula_full": "Ho22 In12 Si8",
"formula_reduced": "Ho11(In3Si2)2",
"formula_anonymous": "A4B6C11",
"energy": -201.60320123,
"energy_per_atom": -4.8000762197619045,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -202.17120123,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.004872,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:54.256000Z",
"spacegroup": 139
},
{
"id": "mp-1223382",
"created_at": "2022-09-04T14:47:26.955717Z",
"structure_string": "K1 Na4 Cl5\n1.0\n-2.050600 2.959800 10.339008\n2.050600 -2.959800 10.339008\n2.050600 2.959800 -10.339008\nK Na Cl\n1 4 5\ndirect\n0.000000 0.000000 0.000000 K\n0.603561 0.603561 0.000000 Na\n0.203537 0.203537 0.000000 Na\n0.796463 0.796463 0.000000 Na\n0.396439 0.396439 0.000000 Na\n0.888771 0.388771 0.500000 Cl\n0.698808 0.198808 0.500000 Cl\n0.301192 0.801192 0.500000 Cl\n0.500000 0.000000 0.500000 Cl\n0.111229 0.611229 0.500000 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Na",
"Cl"
],
"chemical_system": "Cl-K-Na",
"density": 2.039726609415936,
"density_atomic": 0.03983986135811493,
"volume": 251.00488955298817,
"volume_molar": 15.115867763363484,
"formula_full": "K1 Na4 Cl5",
"formula_reduced": "KNa4Cl5",
"formula_anonymous": "AB4C5",
"energy": -36.83779834,
"energy_per_atom": -3.683779834,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.76779834,
"band_gap": 4.9249,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.005431,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:11.693000Z",
"spacegroup": 71
},
{
"id": "mp-2360",
"created_at": "2022-09-04T14:39:12.142033Z",
"structure_string": "Ca2 Ge2\n1.0\n2.294192 -5.443271 0.000000\n2.294192 5.443271 0.000000\n0.000000 0.000000 4.020018\nCa Ge\n2 2\ndirect\n0.636741 0.363259 0.750000 Ca\n0.363259 0.636741 0.250000 Ca\n0.923174 0.076826 0.750000 Ge\n0.076826 0.923174 0.250000 Ge\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ca",
"Ge"
],
"chemical_system": "Ca-Ge",
"density": 3.7284185180625524,
"density_atomic": 0.03983935331663548,
"volume": 100.40323617225343,
"volume_molar": 15.116060524720845,
"formula_full": "Ca2 Ge2",
"formula_reduced": "CaGe",
"formula_anonymous": "AB",
"energy": -15.90283098,
"energy_per_atom": -3.975707745,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.90283098,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.75e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:43.044000Z",
"spacegroup": 63
},
{
"id": "mp-30779",
"created_at": "2022-09-04T14:40:00.470816Z",
"structure_string": "Sm1 Mg3\n1.0\n0.000000 3.688986 3.688986\n3.688986 0.000000 3.688986\n3.688986 3.688986 0.000000\nSm Mg\n1 3\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 Mg\n0.750000 0.750000 0.750000 Mg\n0.250000 0.250000 0.250000 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sm",
"Mg"
],
"chemical_system": "Mg-Sm",
"density": 3.692650278693698,
"density_atomic": 0.03983905007444906,
"volume": 100.40400040977424,
"volume_molar": 15.116175583368953,
"formula_full": "Sm1 Mg3",
"formula_reduced": "SmMg3",
"formula_anonymous": "AB3",
"energy": -9.94076696,
"energy_per_atom": -2.48519174,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.94076696,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0028666,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:43.446000Z",
"spacegroup": 225
}
]
}