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=-formula_anonymous&page=53",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_anonymous&page=51",
"results": [
{
"id": "mp-40186",
"created_at": "2022-09-04T14:45:40.429996Z",
"structure_string": "Li2 Ca2 Pr2 Te2 O12\n1.0\n5.844943 0.000000 0.000000\n0.000000 5.567125 0.000000\n0.000000 5.475890 7.791238\nLi Ca Pr Te O\n2 2 2 2 12\ndirect\n0.280006 0.502499 0.997080 Li\n0.719994 0.502499 0.497080 Li\n0.693586 0.257763 0.252382 Ca\n0.306414 0.257763 0.752382 Ca\n0.181496 0.732832 0.252742 Pr\n0.818504 0.732832 0.752742 Pr\n0.739997 0.999519 0.000643 Te\n0.260003 0.999519 0.500643 Te\n0.708989 0.143557 0.760187 O\n0.458197 0.776595 0.049904 O\n0.435140 0.335597 0.453477 O\n0.922513 0.667911 0.045759 O\n0.976742 0.229585 0.447245 O\n0.222777 0.854143 0.740581 O\n0.291011 0.143557 0.260187 O\n0.541803 0.776595 0.549904 O\n0.564860 0.335597 0.953477 O\n0.077487 0.667911 0.545759 O\n0.023258 0.229585 0.947245 O\n0.777223 0.854143 0.240581 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Li",
"Ca",
"Pr",
"Te",
"O"
],
"chemical_system": "Ca-Li-O-Pr-Te",
"density": 5.390828737069335,
"density_atomic": 0.07888824083828,
"volume": 253.52320938427025,
"volume_molar": 7.633762264195142,
"formula_full": "Li2 Ca2 Pr2 Te2 O12",
"formula_reduced": "LiCaPrTeO6",
"formula_anonymous": "ABCDE6",
"energy": -137.56465088,
"energy_per_atom": -6.878232543999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -129.32065088,
"band_gap": 3.1095,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000549,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:06.131000Z",
"spacegroup": 7
},
{
"id": "mp-1520401",
"created_at": "2022-09-04T14:43:13.358527Z",
"structure_string": "Ba1 Eu1 Dy1 Sb1 O6\n1.0\n0.000000 -4.226996 -4.226996\n4.226996 -0.000000 -4.226996\n4.226996 -4.226996 0.000000\nBa Eu Dy Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Eu\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 Sb\n0.737105 0.262895 0.262895 O\n0.262895 0.737105 0.737105 O\n0.737105 0.262895 0.737105 O\n0.262895 0.737105 0.262895 O\n0.737105 0.737105 0.262895 O\n0.262895 0.262895 0.737105 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Eu",
"Dy",
"Sb",
"O"
],
"chemical_system": "Ba-Dy-Eu-O-Sb",
"density": 7.3604593602970985,
"density_atomic": 0.06620251582081672,
"volume": 151.05166134570976,
"volume_molar": 9.096543666557151,
"formula_full": "Ba1 Eu1 Dy1 Sb1 O6",
"formula_reduced": "BaEuDySbO6",
"formula_anonymous": "ABCDE6",
"energy": -81.02674687000001,
"energy_per_atom": -8.102674687,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -76.90474687,
"band_gap": 0.4085999999999998,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 7.0000002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:11.202000Z",
"spacegroup": 216
},
{
"id": "mp-1517045",
"created_at": "2022-09-04T14:44:28.678733Z",
"structure_string": "K1 Ca1 Y1 Se1 O6\n1.0\n0.000000 -4.032950 -4.032950\n4.032950 0.000000 -4.032950\n4.032950 -4.032950 0.000000\nK Ca Y Se O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Ca\n0.500000 0.500000 0.500000 Y\n0.000000 -0.000000 0.000000 Se\n0.774122 0.225878 0.225878 O\n0.225878 0.774122 0.774122 O\n0.774122 0.225878 0.774122 O\n0.225878 0.774122 0.225878 O\n0.774122 0.774122 0.225878 O\n0.225878 0.225878 0.774122 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Ca",
"Y",
"Se",
"O"
],
"chemical_system": "Ca-K-O-Se-Y",
"density": 4.342036967017299,
"density_atomic": 0.07622571226918365,
"volume": 131.1893284077947,
"volume_molar": 7.900406018816064,
"formula_full": "K1 Ca1 Y1 Se1 O6",
"formula_reduced": "KCaYSeO6",
"formula_anonymous": "ABCDE6",
"energy": -66.67595147,
"energy_per_atom": -6.667595147,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -62.55395147,
"band_gap": 2.0489,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:35.303000Z",
"spacegroup": 216
},
{
"id": "mp-40066",
"created_at": "2022-09-04T14:47:33.352006Z",
"structure_string": "Ca2 La2 Mn2 Fe2 O12\n1.0\n-0.000004 5.488852 -0.002453\n0.000010 -0.002854 7.716622\n5.506555 -0.000004 0.000008\nCa La Mn Fe O\n2 2 2 2 12\ndirect\n0.509746 0.249883 0.536250 Ca\n0.009743 0.749878 0.963751 Ca\n0.993749 0.249969 0.026474 La\n0.493742 0.749965 0.473521 La\n0.499581 0.999407 0.000007 Mn\n0.999578 0.499408 0.499989 Mn\n0.999607 0.000715 0.500031 Fe\n0.499606 0.500713 0.999969 Fe\n0.579659 0.756395 0.013209 O\n0.079661 0.256396 0.486791 O\n0.222895 0.958791 0.213982 O\n0.722893 0.458791 0.286018 O\n0.212316 0.541656 0.222615 O\n0.712316 0.041657 0.277386 O\n0.928646 0.743776 0.516823 O\n0.428642 0.243776 0.983185 O\n0.271854 0.537959 0.718804 O\n0.771855 0.037962 0.781200 O\n0.281956 0.961452 0.726759 O\n0.781952 0.461450 0.773234 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Ca",
"La",
"Mn",
"Fe",
"O"
],
"chemical_system": "Ca-Fe-La-Mn-O",
"density": 5.493016591675045,
"density_atomic": 0.08575142357453983,
"volume": 233.23227960891992,
"volume_molar": 7.022788087902967,
"formula_full": "Ca2 La2 Mn2 Fe2 O12",
"formula_reduced": "CaLaMnFeO6",
"formula_anonymous": "ABCDE6",
"energy": -162.47679262999998,
"energy_per_atom": -8.1238396315,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -146.38479263,
"band_gap": 1.3633000000000006,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:12.312000Z",
"spacegroup": 7
},
{
"id": "mp-1517850",
"created_at": "2022-09-04T14:44:28.674968Z",
"structure_string": "Sr1 Nd1 Ti1 Nb1 O6\n1.0\n-0.000000 -4.012083 -4.012083\n4.012083 0.000000 -4.012083\n4.012083 -4.012083 -0.000000\nSr Nd Ti Nb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Nd\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 -0.000000 Nb\n0.746384 0.253616 0.253616 O\n0.253616 0.746384 0.746384 O\n0.746384 0.253616 0.746384 O\n0.253616 0.746384 0.253616 O\n0.746384 0.746384 0.253616 O\n0.253616 0.253616 0.746384 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Nd",
"Ti",
"Nb",
"O"
],
"chemical_system": "Nb-Nd-O-Sr-Ti",
"density": 6.02477887435746,
"density_atomic": 0.07742126759263593,
"volume": 129.16347550154512,
"volume_molar": 7.778406305211163,
"formula_full": "Sr1 Nd1 Ti1 Nb1 O6",
"formula_reduced": "SrNdTiNbO6",
"formula_anonymous": "ABCDE6",
"energy": -87.03260639999999,
"energy_per_atom": -8.70326064,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -82.9106064,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.3933132,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:37.334000Z",
"spacegroup": 216
},
{
"id": "mp-1518707",
"created_at": "2022-09-04T14:47:16.528223Z",
"structure_string": "Sr1 Cr1 Bi1 Sb1 O6\n1.0\n0.000000 -4.031276 -4.031276\n4.031276 0.000000 -4.031276\n4.031276 -4.031276 -0.000000\nSr Cr Bi Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n-0.000000 -0.000000 -0.000000 Cr\n0.750000 0.750000 0.750000 Bi\n0.500000 0.500000 0.500000 Sb\n0.748595 0.251405 0.251405 O\n0.251405 0.748595 0.748595 O\n0.748595 0.251405 0.748595 O\n0.251405 0.748595 0.251405 O\n0.748595 0.748595 0.251405 O\n0.251405 0.251405 0.748595 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Cr",
"Bi",
"Sb",
"O"
],
"chemical_system": "Bi-Cr-O-Sb-Sr",
"density": 7.177589745697717,
"density_atomic": 0.0763207106047514,
"volume": 131.0260337038508,
"volume_molar": 7.890572181890937,
"formula_full": "Sr1 Cr1 Bi1 Sb1 O6",
"formula_reduced": "SrCrBiSbO6",
"formula_anonymous": "ABCDE6",
"energy": -69.78196178,
"energy_per_atom": -6.978196178,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -63.66096178,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.301791,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:00.452000Z",
"spacegroup": 216
},
{
"id": "mp-1520370",
"created_at": "2022-09-04T14:45:12.484083Z",
"structure_string": "Ca1 La1 Cr1 Sn1 O6\n1.0\n0.000000 -3.995806 -3.995806\n3.995806 0.000000 -3.995806\n3.995806 -3.995806 0.000000\nCa La Cr Sn O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.750000 La\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Sn\n0.753578 0.246422 0.246422 O\n0.246422 0.753578 0.753578 O\n0.753578 0.246422 0.753578 O\n0.246422 0.753578 0.246422 O\n0.753578 0.753578 0.246422 O\n0.246422 0.246422 0.753578 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ca",
"La",
"Cr",
"Sn",
"O"
],
"chemical_system": "Ca-Cr-La-O-Sn",
"density": 5.800091978067888,
"density_atomic": 0.07837125841080966,
"volume": 127.59779800372213,
"volume_molar": 7.684119002444617,
"formula_full": "Ca1 La1 Cr1 Sn1 O6",
"formula_reduced": "CaLaCrSnO6",
"formula_anonymous": "ABCDE6",
"energy": -77.96264878,
"energy_per_atom": -7.796264878,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -71.84164878,
"band_gap": 2.1181,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 3.0000006,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:56.119000Z",
"spacegroup": 216
},
{
"id": "mp-1522371",
"created_at": "2022-09-04T14:44:56.404320Z",
"structure_string": "K1 Sr1 La1 W1 O6\n1.0\n0.000000 -4.314628 -4.314628\n4.314628 -0.000000 -4.314628\n4.314628 -4.314628 0.000000\nK Sr La W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Sr\n-0.000000 -0.000000 -0.000000 La\n0.500000 0.500000 0.500000 W\n0.726450 0.273550 0.273550 O\n0.273550 0.726450 0.726450 O\n0.726450 0.273550 0.726450 O\n0.273550 0.726450 0.273550 O\n0.726450 0.726450 0.273550 O\n0.273550 0.273550 0.726450 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Sr",
"La",
"W",
"O"
],
"chemical_system": "K-La-O-Sr-W",
"density": 5.638350539795533,
"density_atomic": 0.062250082561674074,
"volume": 160.6423572224588,
"volume_molar": 9.674108872118497,
"formula_full": "K1 Sr1 La1 W1 O6",
"formula_reduced": "KSrLaWO6",
"formula_anonymous": "ABCDE6",
"energy": -79.03921488,
"energy_per_atom": -7.903921488,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.47921488,
"band_gap": 2.9628999999999994,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:47.440000Z",
"spacegroup": 216
},
{
"id": "mp-1517762",
"created_at": "2022-09-04T14:48:23.792061Z",
"structure_string": "Na1 Tb1 Eu1 Sb1 O6\n1.0\n0.000000 -4.194200 -4.194200\n4.194200 -0.000000 -4.194200\n4.194200 -4.194200 0.000000\nNa Tb Eu Sb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.500000 0.500000 0.500000 Tb\n0.250000 0.250000 0.250000 Eu\n-0.000000 0.000000 0.000000 Sb\n0.762976 0.237024 0.237024 O\n0.237024 0.762976 0.762976 O\n0.762976 0.237024 0.762976 O\n0.237024 0.762976 0.237024 O\n0.762976 0.762976 0.237024 O\n0.237024 0.237024 0.762976 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Na",
"Tb",
"Eu",
"Sb",
"O"
],
"chemical_system": "Eu-Na-O-Sb-Tb",
"density": 6.207602741757123,
"density_atomic": 0.06776767666218239,
"volume": 147.56297533777604,
"volume_molar": 8.88645008448496,
"formula_full": "Na1 Tb1 Eu1 Sb1 O6",
"formula_reduced": "NaTbEuSbO6",
"formula_anonymous": "ABCDE6",
"energy": -76.5380159,
"energy_per_atom": -7.6538015900000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.4160159,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.980166,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:19.038000Z",
"spacegroup": 216
},
{
"id": "mp-1520453",
"created_at": "2022-09-04T14:47:17.070687Z",
"structure_string": "Ba1 Sr1 Tb1 Ce1 O6\n1.0\n-0.000000 -4.417609 -4.417609\n4.417609 -0.000000 -4.417609\n4.417609 -4.417609 -0.000000\nBa Sr Tb Ce O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Sr\n0.500000 0.500000 0.500000 Tb\n-0.000000 -0.000000 0.000000 Ce\n0.751851 0.248149 0.248149 O\n0.248149 0.751851 0.751851 O\n0.751851 0.248149 0.751851 O\n0.248149 0.751851 0.248149 O\n0.751851 0.751851 0.248149 O\n0.248149 0.248149 0.751851 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Tb",
"Ce",
"O"
],
"chemical_system": "Ba-Ce-O-Sr-Tb",
"density": 5.9708792252938085,
"density_atomic": 0.05799735423831829,
"volume": 172.42165838994595,
"volume_molar": 10.383474968968894,
"formula_full": "Ba1 Sr1 Tb1 Ce1 O6",
"formula_reduced": "BaSrTbCeO6",
"formula_anonymous": "ABCDE6",
"energy": -76.71113817,
"energy_per_atom": -7.671113817,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.58913817,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:59.413000Z",
"spacegroup": 216
},
{
"id": "mp-1519438",
"created_at": "2022-09-04T14:44:55.627971Z",
"structure_string": "K1 Pr1 Dy1 Sb1 O6\n1.0\n-0.000000 -4.177572 -4.177572\n4.177572 0.000000 -4.177572\n4.177572 -4.177572 -0.000000\nK Pr Dy Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Pr\n-0.000000 -0.000000 -0.000000 Dy\n0.500000 0.500000 0.500000 Sb\n0.737538 0.262462 0.262462 O\n0.262462 0.737538 0.737538 O\n0.737538 0.262462 0.737538 O\n0.262462 0.737538 0.262462 O\n0.737538 0.737538 0.262462 O\n0.262462 0.262462 0.737538 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Pr",
"Dy",
"Sb",
"O"
],
"chemical_system": "Dy-K-O-Pr-Sb",
"density": 6.380264885474275,
"density_atomic": 0.06858010937142123,
"volume": 145.81487389938766,
"volume_molar": 8.781176955237626,
"formula_full": "K1 Pr1 Dy1 Sb1 O6",
"formula_reduced": "KPrDySbO6",
"formula_anonymous": "ABCDE6",
"energy": -72.64618315,
"energy_per_atom": -7.264618315,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.52418315,
"band_gap": 3.232800000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:45.346000Z",
"spacegroup": 216
},
{
"id": "mp-1520716",
"created_at": "2022-09-04T14:41:00.561943Z",
"structure_string": "Ba4 Sr4 La4 Bi4 O24\n1.0\n8.843690 0.000000 0.000000\n0.000000 8.824918 0.000000\n0.000000 0.000000 8.791290\nBa Sr La Bi O\n4 4 4 4 24\ndirect\n-0.000000 -0.000000 -0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.500000 -0.000000 0.500000 Ba\n-0.000000 0.500000 -0.000000 Ba\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.250000 Sr\n0.750000 0.250000 0.750000 Sr\n0.250000 0.750000 0.750000 Sr\n-0.000000 0.500000 0.500000 La\n0.500000 0.500000 -0.000000 La\n0.500000 0.000000 -0.000000 La\n-0.000000 -0.000000 0.500000 La\n0.750000 0.750000 0.750000 Bi\n0.250000 0.250000 0.750000 Bi\n0.250000 0.750000 0.250000 Bi\n0.750000 0.250000 0.250000 Bi\n0.981531 0.184391 0.298532 O\n0.018469 0.815609 0.298532 O\n0.018469 0.184391 0.701468 O\n0.981531 0.815609 0.701468 O\n0.309590 0.980987 0.194371 O\n0.309590 0.019013 0.805629 O\n0.690410 0.019013 0.194371 O\n0.690410 0.980987 0.805629 O\n0.209334 0.286147 0.982269 O\n0.790666 0.286147 0.017731 O\n0.209334 0.713853 0.017731 O\n0.790666 0.713853 0.982269 O\n0.518469 0.315609 0.201468 O\n0.481531 0.684391 0.201468 O\n0.481531 0.315609 0.798532 O\n0.518469 0.684391 0.798532 O\n0.190410 0.519013 0.305629 O\n0.190410 0.480987 0.694371 O\n0.809590 0.480987 0.305629 O\n0.809590 0.519013 0.694371 O\n0.290666 0.213853 0.517731 O\n0.709334 0.213853 0.482269 O\n0.290666 0.786147 0.482269 O\n0.709334 0.786147 0.517731 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"La",
"Bi",
"O"
],
"chemical_system": "Ba-Bi-La-O-Sr",
"density": 6.474817976704703,
"density_atomic": 0.05829928056911895,
"volume": 686.1148132450188,
"volume_molar": 10.32969995720654,
"formula_full": "Ba4 Sr4 La4 Bi4 O24",
"formula_reduced": "BaSrLaBiO6",
"formula_anonymous": "ABCDE6",
"energy": -277.04974025,
"energy_per_atom": -6.9262435062500005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -260.56174025,
"band_gap": 1.9177,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:58.606000Z",
"spacegroup": 48
}
]
}