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=-nelements&page=10229",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nelements&page=10227",
"results": [
{
"id": "mp-1046283",
"created_at": "2022-09-04T14:43:35.032352Z",
"structure_string": "Mg4 Cu4 O8\n1.0\n3.190002 0.000000 0.000000\n-1.176137 7.813819 0.000000\n-1.377279 -2.622605 7.637700\nMg Cu O\n4 4 8\ndirect\n0.437146 0.757195 0.134370 Mg\n0.613419 0.227860 0.862467 Mg\n0.947820 0.842104 0.786536 Mg\n0.058273 0.098568 0.186909 Mg\n0.525565 0.435704 0.240764 Cu\n0.147020 0.816395 0.475665 Cu\n0.835183 0.148697 0.515171 Cu\n0.355732 0.484938 0.661897 Cu\n0.809528 0.359268 0.700621 O\n0.662960 0.234027 0.321938 O\n0.350938 0.721480 0.654088 O\n0.129835 0.610972 0.267169 O\n0.178824 0.232046 0.015173 O\n0.877621 0.941532 0.340708 O\n0.926642 0.833776 0.018328 O\n0.114910 0.032891 0.676041 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Cu",
"O"
],
"chemical_system": "Cu-Mg-O",
"density": 4.181474997517438,
"density_atomic": 0.08404329762143224,
"volume": 190.37806050960774,
"volume_molar": 7.165521737529095,
"formula_full": "Mg4 Cu4 O8",
"formula_reduced": "MgCuO2",
"formula_anonymous": "ABC2",
"energy": -90.86795451,
"energy_per_atom": -5.679247156875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -85.37195451,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.3881869,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:20.791000Z",
"spacegroup": 1
},
{
"id": "mp-640470",
"created_at": "2022-09-04T14:43:35.251355Z",
"structure_string": "Pu4 In2 Pt4\n1.0\n7.915305 0.000000 0.000000\n0.000000 7.915305 0.000000\n0.000000 0.000000 3.760671\nPu In Pt\n4 2 4\ndirect\n0.668079 0.168079 0.500000 Pu\n0.168079 0.331921 0.500000 Pu\n0.331921 0.831921 0.500000 Pu\n0.831921 0.668079 0.500000 Pu\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.000000 In\n0.866332 0.366332 0.000000 Pt\n0.633668 0.866332 0.000000 Pt\n0.133668 0.633668 0.000000 Pt\n0.366332 0.133668 0.000000 Pt\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Pu",
"In",
"Pt"
],
"chemical_system": "In-Pt-Pu",
"density": 13.996568345888535,
"density_atomic": 0.042442342976149565,
"volume": 235.61375972150006,
"volume_molar": 14.188992260356917,
"formula_full": "Pu4 In2 Pt4",
"formula_reduced": "Pu2InPt2",
"formula_anonymous": "AB2C2",
"energy": -94.26264739,
"energy_per_atom": -9.426264739,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -94.26264739,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 21.1130128,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:22.447000Z",
"spacegroup": 127
},
{
"id": "mp-676143",
"created_at": "2022-09-04T14:43:35.274137Z",
"structure_string": "Ce5 Ag1 Se8\n1.0\n-4.423953 4.423953 4.511988\n4.423953 -4.423953 4.511988\n4.423953 4.423953 -4.511988\nCe Ag Se\n5 1 8\ndirect\n0.012120 0.632804 0.880126 Ce\n0.868006 0.987880 0.620684 Ce\n0.752678 0.131994 0.119874 Ce\n0.500000 0.500000 0.000000 Ce\n0.367196 0.247322 0.379316 Ce\n0.250000 0.750000 0.500000 Ag\n0.136374 0.384998 0.111655 Se\n0.643329 0.245681 0.760299 Se\n0.975282 0.863626 0.248624 Se\n0.754319 0.514618 0.397649 Se\n0.485382 0.883030 0.239701 Se\n0.615002 0.726658 0.751376 Se\n0.273342 0.024718 0.888345 Se\n0.116970 0.356671 0.602351 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ce",
"Ag",
"Se"
],
"chemical_system": "Ag-Ce-Se",
"density": 6.770197156803499,
"density_atomic": 0.039635021640043504,
"volume": 353.222968493493,
"volume_molar": 15.193988828091857,
"formula_full": "Ce5 Ag1 Se8",
"formula_reduced": "Ce5AgSe8",
"formula_anonymous": "AB5C8",
"energy": -87.08179084,
"energy_per_atom": -6.2201279171428565,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -83.30579084,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.9999999,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:15.339000Z",
"spacegroup": 82
},
{
"id": "mp-976426",
"created_at": "2022-09-04T14:43:34.689723Z",
"structure_string": "Li1 Lu1 Hg2\n1.0\n0.000000 3.511195 3.511195\n3.511195 0.000000 3.511195\n3.511195 3.511195 0.000000\nLi Lu Hg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Lu\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Lu",
"Hg"
],
"chemical_system": "Hg-Li-Lu",
"density": 11.183773355667611,
"density_atomic": 0.046202465081800835,
"volume": 86.57546719461948,
"volume_molar": 13.03424124521902,
"formula_full": "Li1 Lu1 Hg2",
"formula_reduced": "LiLuHg2",
"formula_anonymous": "ABC2",
"energy": -8.6838086,
"energy_per_atom": -2.17095215,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.6838086,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0030671,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:28.944000Z",
"spacegroup": 225
},
{
"id": "mp-21144",
"created_at": "2022-09-04T14:43:35.122659Z",
"structure_string": "Tb4 Co4 Ge4\n1.0\n4.261303 0.000000 0.000000\n0.000000 6.952696 0.000000\n0.000000 0.000000 7.166386\nTb Co Ge\n4 4 4\ndirect\n0.250000 0.486958 0.695960 Tb\n0.750000 0.513042 0.304040 Tb\n0.250000 0.986958 0.804040 Tb\n0.750000 0.013042 0.195960 Tb\n0.750000 0.346145 0.931257 Co\n0.250000 0.153855 0.431257 Co\n0.750000 0.846145 0.568743 Co\n0.250000 0.653855 0.068743 Co\n0.250000 0.799935 0.399196 Ge\n0.750000 0.700065 0.899196 Ge\n0.250000 0.299935 0.100804 Ge\n0.750000 0.200065 0.600804 Ge\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Tb",
"Co",
"Ge"
],
"chemical_system": "Co-Ge-Tb",
"density": 9.087767281022204,
"density_atomic": 0.0565178188200746,
"volume": 212.32241884992405,
"volume_molar": 10.655295773482665,
"formula_full": "Tb4 Co4 Ge4",
"formula_reduced": "TbCoGe",
"formula_anonymous": "ABC",
"energy": -73.27845214,
"energy_per_atom": -6.106537678333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -73.27845214,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.2665877,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:20.226000Z",
"spacegroup": 62
},
{
"id": "mp-1225224",
"created_at": "2022-09-04T14:43:36.948227Z",
"structure_string": "Fe3 Si2 Ni3\n1.0\n3.461195 0.000000 0.000000\n0.000000 3.624621 0.000000\n0.000000 0.000000 7.049848\nFe Si Ni\n3 2 3\ndirect\n0.500000 0.500000 0.253173 Fe\n0.500000 0.500000 0.746827 Fe\n0.000000 0.500000 0.500000 Fe\n0.000000 0.000000 0.247140 Si\n0.000000 0.000000 0.752860 Si\n0.000000 0.500000 0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n0.500000 0.000000 0.000000 Ni\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Fe",
"Si",
"Ni"
],
"chemical_system": "Fe-Ni-Si",
"density": 7.505998494886454,
"density_atomic": 0.09045270596368815,
"volume": 88.44400965971727,
"volume_molar": 6.657778444370214,
"formula_full": "Fe3 Si2 Ni3",
"formula_reduced": "Fe3Si2Ni3",
"formula_anonymous": "A2B3C3",
"energy": -56.16650697,
"energy_per_atom": -7.02081337125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -56.16650697,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.400569,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:20.463000Z",
"spacegroup": 47
},
{
"id": "mp-1186591",
"created_at": "2022-09-04T14:43:35.547610Z",
"structure_string": "Pm1 Ho1 In2\n1.0\n0.000000 3.808961 3.808961\n3.808961 0.000000 3.808961\n3.808961 3.808961 0.000000\nPm Ho In\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.500000 Ho\n0.250000 0.250000 0.250000 In\n0.750000 0.750000 0.750000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pm",
"Ho",
"In"
],
"chemical_system": "Ho-In-Pm",
"density": 8.106704766064134,
"density_atomic": 0.036191819547129724,
"volume": 110.52221330820682,
"volume_molar": 16.63950814121917,
"formula_full": "Pm1 Ho1 In2",
"formula_reduced": "PmHoIn2",
"formula_anonymous": "ABC2",
"energy": -16.70443934,
"energy_per_atom": -4.176109835,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.70443934,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001697,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:22.208000Z",
"spacegroup": 225
},
{
"id": "mp-23020",
"created_at": "2022-09-04T14:43:35.653526Z",
"structure_string": "Bi4 Se4 I4\n1.0\n4.273991 0.000000 0.000000\n0.000000 9.037106 0.000000\n0.000000 0.000000 11.277488\nBi Se I\n4 4 4\ndirect\n0.750000 0.610746 0.371898 Bi\n0.250000 0.389254 0.628102 Bi\n0.750000 0.110746 0.128102 Bi\n0.250000 0.889254 0.871898 Bi\n0.250000 0.671597 0.538724 Se\n0.750000 0.828403 0.038724 Se\n0.250000 0.171597 0.961276 Se\n0.750000 0.328403 0.461276 Se\n0.250000 0.976062 0.315752 I\n0.750000 0.523938 0.815752 I\n0.250000 0.476062 0.184248 I\n0.750000 0.023938 0.684248 I\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Bi",
"Se",
"I"
],
"chemical_system": "Bi-I-Se",
"density": 6.325858300086527,
"density_atomic": 0.027549003407539022,
"volume": 435.5874447609272,
"volume_molar": 21.859740880325237,
"formula_full": "Bi4 Se4 I4",
"formula_reduced": "BiSeI",
"formula_anonymous": "ABC",
"energy": -44.03586552,
"energy_per_atom": -3.66965546,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.63186552,
"band_gap": 1.5764000000000005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0023243,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:17.959000Z",
"spacegroup": 62
},
{
"id": "mp-1026635",
"created_at": "2022-09-04T14:43:35.761259Z",
"structure_string": "Cs1 Ba1 Mg14\n1.0\n7.057790 -0.000000 0.000000\n-3.528895 6.112225 0.000000\n0.000000 -0.000000 10.532473\nCs Ba Mg\n1 1 14\ndirect\n0.166667 0.333333 0.125000 Cs\n0.166667 0.333333 0.625000 Ba\n0.173236 0.836618 0.125000 Mg\n0.177974 0.838986 0.625000 Mg\n0.663382 0.326764 0.125000 Mg\n0.661014 0.322026 0.625000 Mg\n0.663382 0.836618 0.125000 Mg\n0.661014 0.838986 0.625000 Mg\n0.352847 0.147153 0.378531 Mg\n0.352847 0.147153 0.871469 Mg\n0.352847 0.705694 0.378531 Mg\n0.352847 0.705694 0.871469 Mg\n0.794306 0.147153 0.378531 Mg\n0.794306 0.147153 0.871469 Mg\n0.833333 0.666667 0.375648 Mg\n0.833333 0.666667 0.874352 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Cs",
"Ba",
"Mg"
],
"chemical_system": "Ba-Cs-Mg",
"density": 2.2311978898854252,
"density_atomic": 0.035214502989480055,
"volume": 454.35825133695124,
"volume_molar": 17.101308406366115,
"formula_full": "Cs1 Ba1 Mg14",
"formula_reduced": "CsBaMg14",
"formula_anonymous": "ABC14",
"energy": -22.18834196,
"energy_per_atom": -1.3867713725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.18834196,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001626,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:18.469000Z",
"spacegroup": 187
},
{
"id": "mp-1207552",
"created_at": "2022-09-04T14:43:34.669672Z",
"structure_string": "Zn4 O8 F8\n1.0\n3.119460 0.000000 0.000000\n1.559730 9.944470 0.000000\n1.559730 0.000000 12.458335\nZn O F\n4 8 8\ndirect\n0.875000 0.250000 0.250000 Zn\n0.875000 0.750000 0.250000 Zn\n0.875000 0.250000 0.750000 Zn\n0.375000 0.750000 0.750000 Zn\n0.780975 0.248818 0.459755 O\n0.759270 0.751182 0.459755 O\n0.970207 0.248818 0.540245 O\n0.969025 0.251182 0.040245 O\n0.489548 0.751182 0.540245 O\n0.990730 0.748818 0.040245 O\n0.779793 0.251182 0.959755 O\n0.260452 0.748818 0.959755 O\n0.476266 0.124588 0.250688 F\n0.273046 0.875412 0.250688 F\n0.399146 0.124588 0.749312 F\n0.273734 0.375412 0.249312 F\n0.851543 0.875412 0.749312 F\n0.476954 0.624588 0.249312 F\n0.350854 0.375412 0.750688 F\n0.898457 0.624588 0.750688 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Zn",
"O",
"F"
],
"chemical_system": "F-O-Zn",
"density": 2.3271343681917003,
"density_atomic": 0.051749830046871795,
"volume": 386.47469918036904,
"volume_molar": 11.637025193214194,
"formula_full": "Zn4 O8 F8",
"formula_reduced": "Zn(OF)2",
"formula_anonymous": "AB2C2",
"energy": -87.89654379,
"energy_per_atom": -4.3948271895,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -82.91254379,
"band_gap": 0.8778999999999999,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 7.9973014,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:22.962000Z",
"spacegroup": 70
},
{
"id": "mp-567196",
"created_at": "2022-09-04T14:43:34.873669Z",
"structure_string": "Cs3 Sb2 Cl9\n1.0\n3.904648 -6.763050 0.000000\n3.904648 6.763050 0.000000\n0.000000 0.000000 9.573750\nCs Sb Cl\n3 2 9\ndirect\n0.333333 0.666667 0.325672 Cs\n0.666667 0.333333 0.674328 Cs\n0.000000 0.000000 0.000000 Cs\n0.333333 0.666667 0.820058 Sb\n0.666667 0.333333 0.179942 Sb\n0.530123 0.530123 0.000000 Cl\n0.355971 0.203330 0.325295 Cl\n0.000000 0.469877 0.000000 Cl\n0.847359 0.644029 0.325295 Cl\n0.152641 0.796670 0.674705 Cl\n0.469877 0.000000 0.000000 Cl\n0.203330 0.355971 0.674705 Cl\n0.796670 0.152641 0.325295 Cl\n0.644029 0.847359 0.674705 Cl\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Cs",
"Sb",
"Cl"
],
"chemical_system": "Cl-Cs-Sb",
"density": 3.1570212732679064,
"density_atomic": 0.02768799261685476,
"volume": 505.634344595919,
"volume_molar": 21.750008544621213,
"formula_full": "Cs3 Sb2 Cl9",
"formula_reduced": "Cs3Sb2Cl9",
"formula_anonymous": "A2B3C9",
"energy": -53.004908310000005,
"energy_per_atom": -3.7860648792857146,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.47890831,
"band_gap": 2.4898,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:20.964000Z",
"spacegroup": 150
},
{
"id": "mp-28542",
"created_at": "2022-09-04T14:43:35.013515Z",
"structure_string": "Na6 Er2 Cl12\n1.0\n7.303099 0.000000 0.000000\n0.000000 6.910419 0.000000\n0.000000 6.805868 10.256385\nNa Er Cl\n6 2 12\ndirect\n0.000000 0.500000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.924656 0.718327 0.758044 Na\n0.424656 0.281673 0.741956 Na\n0.075344 0.281673 0.241956 Na\n0.575344 0.718327 0.258044 Na\n0.000000 0.000000 0.000000 Er\n0.500000 0.000000 0.500000 Er\n0.064369 0.099717 0.763105 Cl\n0.196970 0.753702 0.578320 Cl\n0.935631 0.900283 0.236895 Cl\n0.564369 0.900283 0.736895 Cl\n0.678098 0.623190 0.564945 Cl\n0.435631 0.099717 0.263105 Cl\n0.178098 0.376810 0.935055 Cl\n0.803030 0.246298 0.421680 Cl\n0.821902 0.623190 0.064945 Cl\n0.321902 0.376810 0.435055 Cl\n0.303030 0.753702 0.078320 Cl\n0.696970 0.246298 0.921680 Cl\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Na",
"Er",
"Cl"
],
"chemical_system": "Cl-Er-Na",
"density": 2.880498237386225,
"density_atomic": 0.038638842880624885,
"volume": 517.6138442289852,
"volume_molar": 15.585717146358313,
"formula_full": "Na6 Er2 Cl12",
"formula_reduced": "Na3ErCl6",
"formula_anonymous": "AB3C6",
"energy": -86.58058837,
"energy_per_atom": -4.3290294185,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -79.21258837,
"band_gap": 5.228,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.002068,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:20.546000Z",
"spacegroup": 14
}
]
}