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=-is_magnetic&page=10415",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_magnetic&page=10413",
"results": [
{
"id": "mp-1183646",
"created_at": "2022-09-04T14:40:51.417407Z",
"structure_string": "Cd3 Ga1\n1.0\n-2.178548 2.178548 4.700252\n2.178548 -2.178548 4.700252\n2.178548 2.178548 -4.700252\nCd Ga\n3 1\ndirect\n0.750000 0.250000 0.500000 Cd\n0.250000 0.750000 0.500000 Cd\n0.500000 0.500000 0.000000 Cd\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cd",
"Ga"
],
"chemical_system": "Cd-Ga",
"density": 7.5732301077594135,
"density_atomic": 0.04482750737923312,
"volume": 89.23092614007462,
"volume_molar": 13.434029934017321,
"formula_full": "Cd3 Ga1",
"formula_reduced": "Cd3Ga",
"formula_anonymous": "AB3",
"energy": -5.58214843,
"energy_per_atom": -1.3955371075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.58214843,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0022961,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:09.202000Z",
"spacegroup": 139
},
{
"id": "mp-1389926",
"created_at": "2022-09-04T14:40:51.875398Z",
"structure_string": "Cr4 O12\n1.0\n5.258912 0.000000 0.000000\n0.000000 5.000790 0.000000\n0.000000 0.010730 7.128935\nCr O\n4 12\ndirect\n0.052126 0.756103 0.779510 Cr\n0.547122 0.227508 0.720165 Cr\n0.552126 0.243897 0.220490 Cr\n0.047122 0.772492 0.279835 Cr\n0.503004 0.343650 0.001899 O\n0.964281 0.835805 0.498741 O\n0.003004 0.656350 0.998101 O\n0.464281 0.164195 0.501259 O\n0.278900 0.554321 0.298365 O\n0.185257 0.045775 0.206767 O\n0.778900 0.445679 0.701635 O\n0.685257 0.954225 0.793233 O\n0.285140 0.562235 0.705013 O\n0.183049 0.050381 0.803180 O\n0.683049 0.949619 0.196820 O\n0.785140 0.437765 0.294987 O\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Cr",
"O"
],
"chemical_system": "Cr-O",
"density": 3.542624789812549,
"density_atomic": 0.08534160507744631,
"volume": 187.48182654263678,
"volume_molar": 7.056512183635393,
"formula_full": "Cr4 O12",
"formula_reduced": "CrO3",
"formula_anonymous": "AB3",
"energy": -119.6613249,
"energy_per_atom": -7.47883280625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -103.4213249,
"band_gap": 1.3264,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.34e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:19.388000Z",
"spacegroup": 4
},
{
"id": "mp-1232980",
"created_at": "2022-09-04T14:40:51.916674Z",
"structure_string": "Ba6 Li1 Nb2 Ir1 Cl2 O12\n1.0\n6.171380 -0.187920 0.139946\n-3.248446 5.250672 -0.140076\n0.344956 -0.199455 15.248561\nBa Li Nb Ir Cl O\n6 1 2 1 2 12\ndirect\n0.327192 0.672838 0.368753 Ba\n0.330071 0.669921 0.787386 Ba\n0.681290 0.318688 0.637472 Ba\n0.641001 0.359013 0.919385 Ba\n0.298719 0.701323 0.039336 Ba\n0.705692 0.294320 0.216246 Ba\n0.465812 0.534122 0.170668 Li\n0.998068 0.001933 0.814638 Nb\n0.013514 0.986467 0.184649 Nb\n0.997724 0.002289 0.002607 Ir\n0.674005 0.326005 0.424652 Cl\n0.330987 0.669000 0.579441 Cl\n0.159414 0.308986 0.916059 O\n0.330963 0.166471 0.757363 O\n0.170755 0.320938 0.248226 O\n0.833552 0.669036 0.757359 O\n0.844806 0.155180 0.757580 O\n0.822887 0.684500 0.089756 O\n0.167034 0.832952 0.239950 O\n0.315508 0.177135 0.089767 O\n0.849457 0.150539 0.089214 O\n0.691026 0.840586 0.916055 O\n0.679036 0.829213 0.248215 O\n0.150656 0.849377 0.910402 O\n",
"nsites": 24,
"nelements": 6,
"elements": [
"Ba",
"Li",
"Nb",
"Ir",
"Cl",
"O"
],
"chemical_system": "Ba-Cl-Ir-Li-Nb-O",
"density": 5.044673145946134,
"density_atomic": 0.04953783996898921,
"volume": 484.47812853818516,
"volume_molar": 12.156647854993018,
"formula_full": "Ba6 Li1 Nb2 Ir1 Cl2 O12",
"formula_reduced": "Ba6LiNb2Ir(ClO6)2",
"formula_anonymous": "ABC2D2E6F12",
"energy": -173.32887266,
"energy_per_atom": -7.222036360833333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -163.85687266,
"band_gap": 1.5718,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:22.118000Z",
"spacegroup": 8
},
{
"id": "mp-1208441",
"created_at": "2022-09-04T14:40:53.600658Z",
"structure_string": "Ta8 Cr2\n1.0\n-4.618798 -4.618798 0.000000\n-4.618798 0.000000 -4.618798\n0.000000 -4.618798 -4.618798\nTa Cr\n8 2\ndirect\n0.606636 0.606636 0.606636 Ta\n0.180093 0.606636 0.606636 Ta\n0.606636 0.180093 0.606636 Ta\n0.569907 0.143364 0.143364 Ta\n0.143364 0.143364 0.143364 Ta\n0.606636 0.606636 0.180093 Ta\n0.143364 0.569907 0.143364 Ta\n0.143364 0.143364 0.569907 Ta\n0.000000 0.000000 0.000000 Cr\n0.750000 0.750000 0.750000 Cr\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Ta",
"Cr"
],
"chemical_system": "Cr-Ta",
"density": 13.073896275048847,
"density_atomic": 0.05074381289894277,
"volume": 197.06836023369357,
"volume_molar": 11.86773404669689,
"formula_full": "Ta8 Cr2",
"formula_reduced": "Ta4Cr",
"formula_anonymous": "AB4",
"energy": -100.37216048000002,
"energy_per_atom": -10.037216048000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -100.37216048000002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.3848739,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:56.590000Z",
"spacegroup": 227
},
{
"id": "mp-10498",
"created_at": "2022-09-04T14:40:51.416851Z",
"structure_string": "Pr2 Cu1 O4\n1.0\n-1.894025 1.894025 6.540541\n1.894025 -1.894025 6.540541\n1.894025 1.894025 -6.540541\nPr Cu O\n2 1 4\ndirect\n0.362168 0.362168 0.000000 Pr\n0.637832 0.637832 0.000000 Pr\n0.000000 0.000000 0.000000 Cu\n0.183858 0.183858 0.000000 O\n0.816142 0.816142 0.000000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Pr",
"Cu",
"O"
],
"chemical_system": "Cu-O-Pr",
"density": 7.242829410074191,
"density_atomic": 0.0745852521008959,
"volume": 93.85233411198617,
"volume_molar": 8.074170952527576,
"formula_full": "Pr2 Cu1 O4",
"formula_reduced": "Pr2CuO4",
"formula_anonymous": "AB2C4",
"energy": -53.47823765,
"energy_per_atom": -7.639748235714285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -50.73023765,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.011129,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:09.350000Z",
"spacegroup": 139
},
{
"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
},
{
"id": "mp-1110730",
"created_at": "2022-09-04T14:40:51.630114Z",
"structure_string": "Rb3 Nd1 Cl6\n1.0\n0.000000 5.852690 5.852690\n5.852690 0.000000 5.852690\n5.852690 5.852690 0.000000\nRb Nd Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Nd\n0.766771 0.233229 0.233229 Cl\n0.233229 0.233229 0.766771 Cl\n0.233229 0.766771 0.766771 Cl\n0.233229 0.766771 0.233229 Cl\n0.766771 0.233229 0.766771 Cl\n0.766771 0.766771 0.233229 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Nd",
"Cl"
],
"chemical_system": "Cl-Nd-Rb",
"density": 2.5402145262984686,
"density_atomic": 0.024940401470404983,
"volume": 400.9558551760402,
"volume_molar": 24.146125984162886,
"formula_full": "Rb3 Nd1 Cl6",
"formula_reduced": "Rb3NdCl6",
"formula_anonymous": "AB3C6",
"energy": -43.02344906,
"energy_per_atom": -4.302344906,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.33944906,
"band_gap": 4.5358,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0010958,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:21.807000Z",
"spacegroup": 225
},
{
"id": "mp-865495",
"created_at": "2022-09-04T14:40:51.716605Z",
"structure_string": "V2 Cr1 Tc1\n1.0\n0.000000 2.973457 2.973457\n2.973457 0.000000 2.973457\n2.973457 2.973457 0.000000\nV Cr Tc\n2 1 1\ndirect\n0.750000 0.750000 0.750000 V\n0.250000 0.250000 0.250000 V\n0.500000 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"V",
"Cr",
"Tc"
],
"chemical_system": "Cr-Tc-V",
"density": 7.9547447260842175,
"density_atomic": 0.07607553380475253,
"volume": 52.57932215455733,
"volume_molar": 7.916001977003269,
"formula_full": "V2 Cr1 Tc1",
"formula_reduced": "V2CrTc",
"formula_anonymous": "ABC2",
"energy": -39.1485754,
"energy_per_atom": -9.78714385,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.1485754,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0113532,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.210000Z",
"spacegroup": 225
},
{
"id": "mp-1192921",
"created_at": "2022-09-04T14:40:51.733462Z",
"structure_string": "Sn2 H14 C4 Se2 Cl2 O6\n1.0\n-7.129460 0.000000 0.000000\n1.867686 7.543935 0.000000\n-0.456596 -2.410618 -7.628655\nSn H C Se Cl O\n2 14 4 2 2 6\ndirect\n0.220392 0.922961 0.832416 Sn\n0.779608 0.077039 0.167584 Sn\n0.716376 0.513596 0.614520 H\n0.283624 0.486404 0.385480 H\n0.198271 0.718588 0.052346 H\n0.801729 0.281412 0.947654 H\n0.021701 0.603427 0.875920 H\n0.978299 0.396573 0.124080 H\n0.272929 0.597467 0.838912 H\n0.727071 0.402533 0.161088 H\n0.415888 0.204677 0.722189 H\n0.584112 0.795323 0.277811 H\n0.184292 0.246233 0.804106 H\n0.815708 0.753767 0.195894 H\n0.381122 0.290124 0.954941 H\n0.618878 0.709876 0.045059 H\n0.171771 0.678608 0.911100 C\n0.828229 0.321392 0.088900 C\n0.312990 0.203143 0.828805 C\n0.687010 0.796857 0.171195 C\n0.723275 0.833719 0.687087 Se\n0.276725 0.166281 0.312913 Se\n0.175180 0.767111 0.506024 Cl\n0.824820 0.232889 0.493976 Cl\n0.907289 0.926355 0.843310 O\n0.092711 0.073645 0.156690 O\n0.643362 0.595992 0.697590 O\n0.356638 0.404008 0.302410 O\n0.551511 0.920986 0.813009 O\n0.448489 0.079014 0.186991 O\n",
"nsites": 30,
"nelements": 6,
"elements": [
"Sn",
"H",
"C",
"Se",
"Cl",
"O"
],
"chemical_system": "C-Cl-H-O-Se-Sn",
"density": 2.527009710963037,
"density_atomic": 0.07311705750446085,
"volume": 410.3009752296133,
"volume_molar": 8.23630075599335,
"formula_full": "Sn2 H14 C4 Se2 Cl2 O6",
"formula_reduced": "SnH7C2SeClO3",
"formula_anonymous": "ABCD2E3F7",
"energy": -153.04770144,
"energy_per_atom": -5.101590048,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -147.69770144,
"band_gap": 4.432,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012041,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:21.281000Z",
"spacegroup": 2
},
{
"id": "mp-13254",
"created_at": "2022-09-04T14:40:51.736716Z",
"structure_string": "Ce1 Mg1 Zn2\n1.0\n0.000000 3.472762 3.472762\n3.472762 0.000000 3.472762\n3.472762 3.472762 0.000000\nCe Mg Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Mg\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750000 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ce",
"Mg",
"Zn"
],
"chemical_system": "Ce-Mg-Zn",
"density": 5.852855006758692,
"density_atomic": 0.047753469847482355,
"volume": 83.7635466653087,
"volume_molar": 12.61089671438294,
"formula_full": "Ce1 Mg1 Zn2",
"formula_reduced": "CeMgZn2",
"formula_anonymous": "ABC2",
"energy": -11.1791076,
"energy_per_atom": -2.7947769,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.1791076,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0071438,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:59.646000Z",
"spacegroup": 225
},
{
"id": "mp-1179704",
"created_at": "2022-09-04T14:40:51.743567Z",
"structure_string": "Sb8 Se12\n1.0\n3.964236 0.000000 0.000000\n0.000000 14.310917 0.000000\n0.000000 0.000000 13.050215\nSb Se\n8 12\ndirect\n0.750000 0.737052 0.106414 Sb\n0.750000 0.762948 0.606414 Sb\n0.250000 0.262948 0.893586 Sb\n0.250000 0.237052 0.393586 Sb\n0.750000 0.614846 0.345723 Sb\n0.250000 0.385154 0.654277 Sb\n0.250000 0.114846 0.154277 Sb\n0.750000 0.885154 0.845723 Sb\n0.750000 0.432159 0.785602 Se\n0.750000 0.707867 0.794688 Se\n0.250000 0.292133 0.205312 Se\n0.250000 0.567841 0.214398 Se\n0.750000 0.792133 0.294688 Se\n0.250000 0.207867 0.705312 Se\n0.750000 0.147198 0.959831 Se\n0.250000 0.932159 0.714398 Se\n0.750000 0.352802 0.459831 Se\n0.750000 0.067841 0.285602 Se\n0.250000 0.647198 0.540169 Se\n0.250000 0.852802 0.040169 Se\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Sb",
"Se"
],
"chemical_system": "Sb-Se",
"density": 4.309902612140854,
"density_atomic": 0.02701378039256177,
"volume": 740.3628707038349,
"volume_molar": 22.292847104280874,
"formula_full": "Sb8 Se12",
"formula_reduced": "Sb2Se3",
"formula_anonymous": "A2B3",
"energy": -84.25427591,
"energy_per_atom": -4.2127137955,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -78.59027591,
"band_gap": 0.4903000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001644,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:21.026000Z",
"spacegroup": 62
},
{
"id": "mp-1067833",
"created_at": "2022-09-04T14:40:53.627632Z",
"structure_string": "Sn1 I3\n1.0\n6.015188 0.000000 0.000000\n0.000000 6.015188 0.000000\n0.000000 0.000000 6.015188\nSn I\n1 3\ndirect\n0.000000 0.000000 0.000000 Sn\n0.500000 0.000000 0.000000 I\n0.000000 0.000000 0.500000 I\n0.000000 0.500000 0.000000 I\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sn",
"I"
],
"chemical_system": "I-Sn",
"density": 3.8103983183229606,
"density_atomic": 0.018378597857507773,
"volume": 217.64445965968915,
"volume_molar": 32.76713929261974,
"formula_full": "Sn1 I3",
"formula_reduced": "SnI3",
"formula_anonymous": "AB3",
"energy": -10.73428727,
"energy_per_atom": -2.6835718175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.59728727,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0032705,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:22.738000Z",
"spacegroup": 221
}
]
}