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=id&page=1762",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=id&page=1760",
"results": [
{
"id": "mp-1104396",
"created_at": "2022-09-04T14:44:56.632278Z",
"structure_string": "La10 Ir4\n1.0\n3.389787 8.533759 0.000000\n-3.389787 8.533759 0.000000\n0.000000 0.833119 7.368996\nLa Ir\n10 4\ndirect\n0.014280 0.799340 0.911584 La\n0.200660 0.985720 0.588416 La\n0.985720 0.200660 0.088416 La\n0.799340 0.014280 0.411584 La\n0.356333 0.212831 0.816746 La\n0.787169 0.643667 0.683254 La\n0.643667 0.787169 0.183254 La\n0.212831 0.356333 0.316746 La\n0.577852 0.422148 0.750000 La\n0.422148 0.577852 0.250000 La\n0.183911 0.592865 0.580043 Ir\n0.407135 0.816089 0.919957 Ir\n0.816089 0.407135 0.419957 Ir\n0.592865 0.183911 0.080043 Ir\n",
"nsites": 14,
"nelements": 2,
"elements": [
"La",
"Ir"
],
"chemical_system": "Ir-La",
"density": 8.40492574386746,
"density_atomic": 0.0328380179207406,
"volume": 426.3351105353272,
"volume_molar": 18.338928904099284,
"formula_full": "La10 Ir4",
"formula_reduced": "La5Ir2",
"formula_anonymous": "A2B5",
"energy": -92.53381417,
"energy_per_atom": -6.609558155,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -92.53381417,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0082523,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:50.841000Z",
"spacegroup": 15
},
{
"id": "mp-1104397",
"created_at": "2022-09-04T14:45:21.597834Z",
"structure_string": "Yb10 Pd4\n1.0\n3.278419 8.179257 0.000000\n-3.278419 8.179257 0.000000\n0.000000 0.972097 7.518196\nYb Pd\n10 4\ndirect\n0.021326 0.797009 0.919572 Yb\n0.202991 0.978674 0.580428 Yb\n0.978674 0.202991 0.080428 Yb\n0.797009 0.021326 0.419572 Yb\n0.364366 0.201556 0.819136 Yb\n0.798444 0.635634 0.680864 Yb\n0.635634 0.798444 0.180864 Yb\n0.201556 0.364366 0.319136 Yb\n0.579390 0.420610 0.750000 Yb\n0.420610 0.579390 0.250000 Yb\n0.182949 0.596570 0.580756 Pd\n0.403430 0.817051 0.919244 Pd\n0.817051 0.403430 0.419244 Pd\n0.596570 0.182950 0.080756 Pd\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Yb",
"Pd"
],
"chemical_system": "Pd-Yb",
"density": 8.879571668798253,
"density_atomic": 0.03472210803638405,
"volume": 403.201325948583,
"volume_molar": 17.34382242486434,
"formula_full": "Yb10 Pd4",
"formula_reduced": "Yb5Pd2",
"formula_anonymous": "A2B5",
"energy": -44.63992171,
"energy_per_atom": -3.188565836428572,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.63992171,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000395,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:04.149000Z",
"spacegroup": 15
},
{
"id": "mp-1104399",
"created_at": "2022-09-04T14:48:22.721983Z",
"structure_string": "Dy6 Pd8\n1.0\n4.278305 -6.630834 0.000000\n4.278305 6.630834 0.000000\n-5.998653 0.000000 5.127184\nDy Pd\n6 8\ndirect\n0.403143 0.026041 0.280622 Dy\n0.026041 0.280622 0.403143 Dy\n0.280622 0.403143 0.026041 Dy\n0.596857 0.973959 0.719378 Dy\n0.973959 0.719378 0.596857 Dy\n0.719378 0.596857 0.973959 Dy\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 Pd\n0.223762 0.060320 0.551443 Pd\n0.060320 0.551443 0.223762 Pd\n0.551443 0.223762 0.060320 Pd\n0.776238 0.939680 0.448557 Pd\n0.939680 0.448557 0.776238 Pd\n0.448557 0.776238 0.939680 Pd\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Dy",
"Pd"
],
"chemical_system": "Dy-Pd",
"density": 10.425255024073143,
"density_atomic": 0.04812594150648648,
"volume": 290.9033997415523,
"volume_molar": 12.513294434329824,
"formula_full": "Dy6 Pd8",
"formula_reduced": "Dy3Pd4",
"formula_anonymous": "A3B4",
"energy": -82.23690559,
"energy_per_atom": -5.8740646850000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -82.23690559,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001553,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:33.856000Z",
"spacegroup": 148
},
{
"id": "mp-1104400",
"created_at": "2022-09-04T14:46:05.733056Z",
"structure_string": "Na2 Si12\n1.0\n2.090484 -5.275182 0.000000\n2.090484 5.275182 0.000000\n0.000000 0.000000 12.234844\nNa Si\n2 12\ndirect\n0.715635 0.284365 0.250000 Na\n0.284365 0.715635 0.750000 Na\n0.755034 0.244966 0.952399 Si\n0.244966 0.755034 0.047601 Si\n0.755034 0.244966 0.547601 Si\n0.244966 0.755034 0.452399 Si\n0.435303 0.564697 0.152662 Si\n0.564697 0.435303 0.847338 Si\n0.435303 0.564697 0.347338 Si\n0.564697 0.435303 0.652662 Si\n0.973606 0.026394 0.904571 Si\n0.026394 0.973606 0.095429 Si\n0.973606 0.026394 0.595429 Si\n0.026394 0.973606 0.404571 Si\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Na",
"Si"
],
"chemical_system": "Na-Si",
"density": 2.3569014520362632,
"density_atomic": 0.0518818325808862,
"volume": 269.8439762738401,
"volume_molar": 11.607417202565465,
"formula_full": "Na2 Si12",
"formula_reduced": "NaSi6",
"formula_anonymous": "AB6",
"energy": -66.31913944,
"energy_per_atom": -4.737081388571428,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.17113944,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012996,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:15.169000Z",
"spacegroup": 63
},
{
"id": "mp-1104401",
"created_at": "2022-09-04T14:42:40.165999Z",
"structure_string": "Pt2 N4 Cl8\n1.0\n4.897781 0.000000 0.000000\n0.000000 4.897781 0.000000\n0.000000 0.000000 12.600888\nPt N Cl\n2 4 8\ndirect\n0.500000 0.500000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n0.287367 0.712633 0.000000 N\n0.712633 0.287367 0.000000 N\n0.212633 0.212633 0.500000 N\n0.787367 0.787367 0.500000 N\n0.258447 0.741553 0.370213 Cl\n0.741553 0.258447 0.370213 Cl\n0.241553 0.241553 0.870213 Cl\n0.758447 0.758447 0.870213 Cl\n0.741553 0.258447 0.629787 Cl\n0.258447 0.741553 0.629787 Cl\n0.758447 0.758447 0.129787 Cl\n0.241553 0.241553 0.129787 Cl\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Pt",
"N",
"Cl"
],
"chemical_system": "Cl-N-Pt",
"density": 4.009260435463646,
"density_atomic": 0.04631569229497327,
"volume": 302.2733614956555,
"volume_molar": 13.002376649465726,
"formula_full": "Pt2 N4 Cl8",
"formula_reduced": "Pt(NCl2)2",
"formula_anonymous": "AB2C4",
"energy": -50.68670856,
"energy_per_atom": -3.6204791828571428,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.77470856,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9999991,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:49.191000Z",
"spacegroup": 136
},
{
"id": "mp-1104403",
"created_at": "2022-09-04T14:43:52.142124Z",
"structure_string": "C6 N8\n1.0\n3.570825 -6.184850 0.000000\n3.570825 6.184850 0.000000\n0.000000 0.000000 3.619417\nC N\n6 8\ndirect\n0.786175 0.213825 0.000000 C\n0.427651 0.213825 0.000000 C\n0.786175 0.572349 0.000000 C\n0.774051 0.887026 0.000000 C\n0.112974 0.225949 0.000000 C\n0.112974 0.887026 0.000000 C\n0.666667 0.333333 0.000000 N\n0.670143 0.998064 0.000000 N\n0.327921 0.329857 0.000000 N\n0.001936 0.672079 0.000000 N\n0.670143 0.672079 0.000000 N\n0.001936 0.329857 0.000000 N\n0.327921 0.998064 0.000000 N\n0.000000 0.000000 0.000000 N\n",
"nsites": 14,
"nelements": 2,
"elements": [
"C",
"N"
],
"chemical_system": "C-N",
"density": 1.9123990483605653,
"density_atomic": 0.08757127647351987,
"volume": 159.86977195922654,
"volume_molar": 6.876844785768309,
"formula_full": "C6 N8",
"formula_reduced": "C3N4",
"formula_anonymous": "A3B4",
"energy": -120.49886419,
"energy_per_atom": -8.607061727857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -117.61086419,
"band_gap": 0.8366,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003383,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:26.903000Z",
"spacegroup": 187
},
{
"id": "mp-1104404",
"created_at": "2022-09-04T14:44:04.234287Z",
"structure_string": "Ni1 N8 O6\n1.0\n0.000000 3.923850 3.923850\n3.923850 0.000000 3.923850\n3.923850 3.923850 0.000000\nNi N O\n1 8 6\ndirect\n0.000000 0.000000 0.000000 Ni\n0.238825 0.761175 0.238825 N\n0.761175 0.238825 0.761175 N\n0.238825 0.238825 0.761175 N\n0.761175 0.761175 0.238825 N\n0.761175 0.238825 0.238825 N\n0.238825 0.761175 0.761175 N\n0.750000 0.750000 0.750000 N\n0.250000 0.250000 0.250000 N\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Ni",
"N",
"O"
],
"chemical_system": "N-Ni-O",
"density": 3.6658576233158793,
"density_atomic": 0.1241435249458265,
"volume": 120.82788857933323,
"volume_molar": 4.850950351722275,
"formula_full": "Ni1 N8 O6",
"formula_reduced": "Ni(N4O3)2",
"formula_anonymous": "AB6C8",
"energy": -69.11397873,
"energy_per_atom": -4.607598582,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -62.45097873,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.015516,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:32.545000Z",
"spacegroup": 225
},
{
"id": "mp-1104405",
"created_at": "2022-09-04T14:47:43.209853Z",
"structure_string": "Na2 S4 O8\n1.0\n-0.017742 0.000000 -5.500382\n0.000000 -6.620176 0.000000\n-7.172616 3.310088 1.937430\nNa S O\n2 4 8\ndirect\n0.013304 0.851403 0.528145 Na\n0.986696 0.323258 0.471855 Na\n0.342543 0.011760 0.040732 S\n0.657457 0.971028 0.959268 S\n0.423495 0.913236 0.280013 S\n0.576505 0.633223 0.719987 S\n0.389860 0.672702 0.191351 O\n0.610140 0.481351 0.808649 O\n0.228013 0.019938 0.372454 O\n0.771987 0.647484 0.627546 O\n0.680962 0.014418 0.388268 O\n0.319038 0.626150 0.611732 O\n0.917991 0.500128 0.264206 O\n0.082009 0.235922 0.735794 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Na",
"S",
"O"
],
"chemical_system": "Na-O-S",
"density": 1.9198852926226746,
"density_atomic": 0.05355621047412756,
"volume": 261.4075916884234,
"volume_molar": 11.244523663430655,
"formula_full": "Na2 S4 O8",
"formula_reduced": "Na(SO2)2",
"formula_anonymous": "AB2C4",
"energy": -73.94157487,
"energy_per_atom": -5.281541062142857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.44557487,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9957646,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:18.298000Z",
"spacegroup": 5
},
{
"id": "mp-1104406",
"created_at": "2022-09-04T14:43:59.509695Z",
"structure_string": "Sc4 Si4 Pt6\n1.0\n4.072040 0.000000 0.000000\n0.000000 6.410187 0.000000\n0.000000 0.000000 8.765643\nSc Si Pt\n4 4 6\ndirect\n0.000000 0.891044 0.329970 Sc\n0.000000 0.108956 0.670030 Sc\n0.000000 0.391044 0.170030 Sc\n0.000000 0.608956 0.829970 Sc\n0.500000 0.575697 0.349149 Si\n0.500000 0.424303 0.650851 Si\n0.500000 0.075697 0.150851 Si\n0.500000 0.924303 0.849149 Si\n0.500000 0.690620 0.086609 Pt\n0.500000 0.309380 0.913391 Pt\n0.500000 0.190620 0.413391 Pt\n0.500000 0.809380 0.586609 Pt\n0.000000 0.500000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Sc",
"Si",
"Pt"
],
"chemical_system": "Pt-Sc-Si",
"density": 10.615215940278324,
"density_atomic": 0.06118733275112082,
"volume": 228.80552837537357,
"volume_molar": 9.842136418161957,
"formula_full": "Sc4 Si4 Pt6",
"formula_reduced": "Sc2Si2Pt3",
"formula_anonymous": "A2B2C3",
"energy": -100.12864023,
"energy_per_atom": -7.152045730714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -100.12864023,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.37e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:27.107000Z",
"spacegroup": 55
},
{
"id": "mp-1104408",
"created_at": "2022-09-04T14:41:23.056998Z",
"structure_string": "Cs2 Hg3 I8 O1\n1.0\n11.254788 3.783312 0.000000\n-11.254788 3.783312 0.000000\n0.000000 2.502521 7.559225\nCs Hg I O\n2 3 8 1\ndirect\n0.368989 0.124419 0.438419 Cs\n0.124419 0.368989 0.438419 Cs\n0.078649 0.690314 0.072250 Hg\n0.690314 0.078649 0.072250 Hg\n0.991972 0.991972 0.999586 Hg\n0.350869 0.350869 0.767727 I\n0.877646 0.877646 0.365229 I\n0.479158 0.092093 0.937861 I\n0.092093 0.479158 0.937861 I\n0.934210 0.544044 0.437560 I\n0.544044 0.934210 0.437560 I\n0.887083 0.691286 0.888881 I\n0.691286 0.887083 0.888881 I\n0.434299 0.434299 0.241416 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Cs",
"Hg",
"I",
"O"
],
"chemical_system": "Cs-Hg-I-O",
"density": 4.897960178440377,
"density_atomic": 0.021747597719206896,
"volume": 643.749262827111,
"volume_molar": 27.691061963507842,
"formula_full": "Cs2 Hg3 I8 O1",
"formula_reduced": "Cs2Hg3I8O",
"formula_anonymous": "AB2C3D8",
"energy": -26.81419715,
"energy_per_atom": -1.9152997964285714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.12719715,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.3877538,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:16.617000Z",
"spacegroup": 8
},
{
"id": "mp-1104410",
"created_at": "2022-09-04T14:46:26.727417Z",
"structure_string": "Ba1 Dy1 Fe4 O7\n1.0\n0.000000 4.546924 4.546924\n4.546924 0.000000 4.546924\n4.546924 4.546924 0.000000\nBa Dy Fe O\n1 1 4 7\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Dy\n0.378172 0.378172 0.865485 Fe\n0.378172 0.865485 0.378172 Fe\n0.865485 0.378172 0.378172 Fe\n0.378172 0.378172 0.378172 Fe\n0.751851 0.751851 0.248149 O\n0.248149 0.751851 0.248149 O\n0.751851 0.248149 0.248149 O\n0.248149 0.248149 0.751851 O\n0.751851 0.248149 0.751851 O\n0.248149 0.751851 0.751851 O\n0.250000 0.250000 0.250000 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Ba",
"Dy",
"Fe",
"O"
],
"chemical_system": "Ba-Dy-Fe-O",
"density": 5.610200983526351,
"density_atomic": 0.06914491881060685,
"volume": 188.01092290827592,
"volume_molar": 8.709448016701124,
"formula_full": "Ba1 Dy1 Fe4 O7",
"formula_reduced": "BaDyFe4O7",
"formula_anonymous": "ABC4D7",
"energy": -101.76579864,
"energy_per_atom": -7.828138356923077,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -87.93279864,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 17.0039776,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:37.576000Z",
"spacegroup": 216
},
{
"id": "mp-1104411",
"created_at": "2022-09-04T14:43:56.368240Z",
"structure_string": "Hg3 Bi2 S2 Cl8\n1.0\n3.787883 6.644864 0.000000\n-3.787883 6.644864 0.000000\n0.000000 4.246926 8.525701\nHg Bi S Cl\n3 2 2 8\ndirect\n0.000000 0.500000 0.000000 Hg\n0.500000 0.000000 0.000000 Hg\n0.500000 0.500000 0.000000 Hg\n0.126745 0.126745 0.573944 Bi\n0.873255 0.873255 0.426056 Bi\n0.624782 0.624782 0.124804 S\n0.375218 0.375218 0.875196 S\n0.239510 0.760490 0.500000 Cl\n0.760490 0.239510 0.500000 Cl\n0.927462 0.459427 0.710354 Cl\n0.459427 0.927462 0.710354 Cl\n0.072538 0.540573 0.289646 Cl\n0.540573 0.072538 0.289646 Cl\n0.951070 0.951070 0.850016 Cl\n0.048930 0.048930 0.149984 Cl\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Hg",
"Bi",
"S",
"Cl"
],
"chemical_system": "Bi-Cl-Hg-S",
"density": 5.290891542721745,
"density_atomic": 0.034950107263175684,
"volume": 429.1832321729204,
"volume_molar": 17.230678906513916,
"formula_full": "Hg3 Bi2 S2 Cl8",
"formula_reduced": "Hg3Bi2(SCl4)2",
"formula_anonymous": "A2B2C3D8",
"energy": -48.27165945,
"energy_per_atom": -3.21811063,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.35365945,
"band_gap": 2.7814,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010234,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:23.743000Z",
"spacegroup": 12
}
]
}