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=formation_energy_per_atom&page=12132",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formation_energy_per_atom&page=12130",
"results": [
{
"id": "mp-541785",
"created_at": "2022-09-04T14:47:44.269054Z",
"structure_string": "Ge2 Pd2 S6\n1.0\n1.750219 7.557177 0.000000\n-1.750219 7.557177 0.000000\n0.000000 2.881437 8.944534\nGe Pd S\n2 2 6\ndirect\n0.916150 0.916150 0.300522 Ge\n0.083850 0.083850 0.699478 Ge\n0.609211 0.609211 0.027639 Pd\n0.390789 0.390789 0.972361 Pd\n0.373121 0.373121 0.457856 S\n0.626879 0.626879 0.542144 S\n0.829635 0.829635 0.141732 S\n0.170365 0.170365 0.858268 S\n0.072848 0.072848 0.203098 S\n0.927152 0.927152 0.796902 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ge",
"Pd",
"S"
],
"chemical_system": "Ge-Pd-S",
"density": 3.863443866603597,
"density_atomic": 0.04226299756786584,
"volume": 236.61359996867282,
"volume_molar": 14.249204047416795,
"formula_full": "Ge2 Pd2 S6",
"formula_reduced": "GePdS3",
"formula_anonymous": "ABC3",
"energy": -50.94248789,
"energy_per_atom": -5.094248789,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.92448789,
"band_gap": 1.3441,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0027148,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:20.260000Z",
"spacegroup": 12
},
{
"id": "mp-1009657",
"created_at": "2022-09-04T14:47:55.216509Z",
"structure_string": "Ca1 N2\n1.0\n-1.811314 1.811314 2.983552\n1.811314 -1.811314 2.983552\n1.811314 1.811314 -2.983552\nCa N\n1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.605291 0.605291 0.000000 N\n0.394709 0.394709 0.000000 N\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ca",
"N"
],
"chemical_system": "Ca-N",
"density": 2.8877545079567786,
"density_atomic": 0.0766196500582307,
"volume": 39.15444664286524,
"volume_molar": 7.859786302108131,
"formula_full": "Ca1 N2",
"formula_reduced": "CaN2",
"formula_anonymous": "AB2",
"energy": -20.90610328,
"energy_per_atom": -6.968701093333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.18410328,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0038405,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:17.779000Z",
"spacegroup": 139
},
{
"id": "mp-27147",
"created_at": "2022-09-04T14:47:44.124935Z",
"structure_string": "Rb24 Bi8 Br48\n1.0\n8.655419 0.000000 0.000000\n0.000000 13.665252 0.000000\n0.000000 0.000000 27.337460\nRb Bi Br\n24 8 48\ndirect\n0.566069 0.344426 0.341071 Rb\n0.063204 0.178660 0.046163 Rb\n0.563204 0.321340 0.953837 Rb\n0.436796 0.678660 0.453837 Rb\n0.936796 0.821340 0.546163 Rb\n0.936796 0.821340 0.953837 Rb\n0.436796 0.678660 0.046163 Rb\n0.563204 0.321340 0.546163 Rb\n0.069802 0.493768 0.159251 Rb\n0.569802 0.006232 0.840749 Rb\n0.430198 0.993768 0.340749 Rb\n0.930198 0.506232 0.659251 Rb\n0.930198 0.506232 0.840749 Rb\n0.430198 0.993768 0.159251 Rb\n0.569802 0.006232 0.659251 Rb\n0.069802 0.493768 0.340749 Rb\n0.063204 0.178660 0.453837 Rb\n0.066069 0.155574 0.841071 Rb\n0.933931 0.844426 0.341071 Rb\n0.433931 0.655574 0.658929 Rb\n0.433931 0.655574 0.841071 Rb\n0.933931 0.844426 0.158929 Rb\n0.066069 0.155574 0.658929 Rb\n0.566069 0.344426 0.158929 Rb\n0.000000 0.500000 0.500000 Bi\n0.500000 0.000000 0.500000 Bi\n0.500000 0.000000 0.000000 Bi\n0.000000 0.500000 0.000000 Bi\n0.002545 0.830499 0.750000 Bi\n0.502545 0.669501 0.250000 Bi\n0.497455 0.330499 0.750000 Bi\n0.997455 0.169501 0.250000 Bi\n0.790376 0.771298 0.827903 Br\n0.826700 0.384774 0.431105 Br\n0.326700 0.115226 0.568895 Br\n0.673300 0.884774 0.068895 Br\n0.283227 0.435322 0.451686 Br\n0.173300 0.615226 0.568895 Br\n0.673300 0.884774 0.431105 Br\n0.326700 0.115226 0.931105 Br\n0.854971 0.361862 0.250000 Br\n0.354971 0.138138 0.750000 Br\n0.645029 0.861862 0.250000 Br\n0.145029 0.638138 0.750000 Br\n0.141267 0.976517 0.250000 Br\n0.641267 0.523483 0.750000 Br\n0.358733 0.476517 0.250000 Br\n0.858733 0.023483 0.750000 Br\n0.209624 0.228702 0.172097 Br\n0.709624 0.271298 0.827903 Br\n0.290376 0.728702 0.327903 Br\n0.790376 0.771298 0.672097 Br\n0.173300 0.615226 0.931105 Br\n0.290376 0.728702 0.172097 Br\n0.709624 0.271298 0.672097 Br\n0.209624 0.228702 0.327903 Br\n0.795541 0.110125 0.172166 Br\n0.295541 0.389875 0.827834 Br\n0.704459 0.610125 0.327834 Br\n0.204459 0.889875 0.672166 Br\n0.204459 0.889875 0.827834 Br\n0.704459 0.610125 0.172166 Br\n0.295541 0.389875 0.672166 Br\n0.795541 0.110125 0.327834 Br\n0.004039 0.669467 0.061766 Br\n0.504039 0.830533 0.938234 Br\n0.495961 0.169467 0.438234 Br\n0.995961 0.330533 0.561766 Br\n0.995961 0.330533 0.938234 Br\n0.495961 0.169467 0.061766 Br\n0.504039 0.830533 0.561766 Br\n0.004039 0.669467 0.438234 Br\n0.283227 0.435322 0.048314 Br\n0.783227 0.064678 0.951686 Br\n0.216773 0.935322 0.451686 Br\n0.716773 0.564678 0.548314 Br\n0.716773 0.564678 0.951686 Br\n0.216773 0.935322 0.048314 Br\n0.783227 0.064678 0.548314 Br\n0.826700 0.384774 0.068895 Br\n",
"nsites": 80,
"nelements": 3,
"elements": [
"Rb",
"Bi",
"Br"
],
"chemical_system": "Bi-Br-Rb",
"density": 3.881670370054772,
"density_atomic": 0.024741503362344555,
"volume": 3233.4332650843025,
"volume_molar": 24.34023782550508,
"formula_full": "Rb24 Bi8 Br48",
"formula_reduced": "Rb3BiBr6",
"formula_anonymous": "AB3C6",
"energy": -271.24706527,
"energy_per_atom": -3.390588315875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -245.61506527,
"band_gap": 3.3162000000000003,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.04497,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:17.278000Z",
"spacegroup": 62
},
{
"id": "mp-1216738",
"created_at": "2022-09-04T14:47:44.162759Z",
"structure_string": "U2 As1 Se1\n1.0\n3.516592 0.000000 0.000000\n0.000000 3.516592 0.000000\n0.000000 0.000000 7.128213\nU As Se\n2 1 1\ndirect\n0.500000 0.500000 0.242911 U\n0.500000 0.500000 0.757089 U\n0.000000 0.000000 0.000000 As\n0.000000 0.000000 0.500000 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"U",
"As",
"Se"
],
"chemical_system": "As-Se-U",
"density": 11.866516505995254,
"density_atomic": 0.04537695561561299,
"volume": 88.15047077824912,
"volume_molar": 13.271363577172073,
"formula_full": "U2 As1 Se1",
"formula_reduced": "U2AsSe",
"formula_anonymous": "ABC2",
"energy": -34.09227895,
"energy_per_atom": -8.5230697375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.62027895,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.4447009,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:18.026000Z",
"spacegroup": 123
},
{
"id": "mp-542609",
"created_at": "2022-09-04T14:47:44.172678Z",
"structure_string": "Ag12 As12 S24\n1.0\n3.960885 7.699752 0.000000\n-3.960885 7.699752 0.000000\n0.000000 3.431260 17.245713\nAg As S\n12 12 24\ndirect\n0.121974 0.878026 0.250000 Ag\n0.878026 0.121974 0.750000 Ag\n0.633528 0.366472 0.250000 Ag\n0.366472 0.633528 0.750000 Ag\n0.525869 0.762118 0.087762 Ag\n0.237882 0.474131 0.412238 Ag\n0.474131 0.237882 0.912238 Ag\n0.762118 0.525869 0.587762 Ag\n0.947892 0.186430 0.419197 Ag\n0.813570 0.052108 0.080803 Ag\n0.052108 0.813570 0.580803 Ag\n0.186430 0.947892 0.919197 Ag\n0.377967 0.114366 0.268743 As\n0.885634 0.622033 0.231257 As\n0.622033 0.885634 0.731257 As\n0.114366 0.377967 0.768743 As\n0.707609 0.946937 0.418625 As\n0.053063 0.292391 0.081375 As\n0.292391 0.053063 0.581375 As\n0.946937 0.707609 0.918625 As\n0.471136 0.714311 0.412440 As\n0.285689 0.528864 0.087560 As\n0.528864 0.285689 0.587560 As\n0.714311 0.471136 0.912440 As\n0.592281 0.412229 0.103174 S\n0.587771 0.407719 0.396826 S\n0.407719 0.587771 0.896826 S\n0.412229 0.592281 0.603174 S\n0.157034 0.980417 0.090195 S\n0.019583 0.842966 0.409805 S\n0.842966 0.019583 0.909805 S\n0.980417 0.157034 0.590195 S\n0.197612 0.548839 0.221315 S\n0.451161 0.802388 0.278685 S\n0.802388 0.451161 0.778685 S\n0.548839 0.197612 0.721315 S\n0.691928 0.021143 0.285171 S\n0.978857 0.308072 0.214829 S\n0.308072 0.978857 0.714829 S\n0.021143 0.691928 0.785171 S\n0.248535 0.183564 0.391498 S\n0.816436 0.751465 0.108502 S\n0.751465 0.816436 0.608502 S\n0.183564 0.248535 0.891498 S\n0.354414 0.232071 0.074163 S\n0.767929 0.645586 0.425837 S\n0.645586 0.767929 0.925837 S\n0.232071 0.354414 0.574163 S\n",
"nsites": 48,
"nelements": 3,
"elements": [
"Ag",
"As",
"S"
],
"chemical_system": "Ag-As-S",
"density": 4.6774175346713776,
"density_atomic": 0.045631118762962705,
"volume": 1051.9137225046527,
"volume_molar": 13.197442717288748,
"formula_full": "Ag12 As12 S24",
"formula_reduced": "AgAsS2",
"formula_anonymous": "ABC2",
"energy": -206.10718305,
"energy_per_atom": -4.293899646875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -194.03518305,
"band_gap": 1.4122,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0011843,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:22.176000Z",
"spacegroup": 15
},
{
"id": "mp-1179550",
"created_at": "2022-09-04T14:47:44.178631Z",
"structure_string": "Sc1 N3 F6\n1.0\n5.191923 3.901933 -0.067288\n0.006044 3.859150 5.270920\n5.209155 -0.094496 5.308928\nSc N F\n1 3 6\ndirect\n0.013181 0.005191 0.864431 Sc\n0.454523 0.472841 0.496811 N\n0.747155 0.737263 0.740561 N\n0.258218 0.241764 0.225245 N\n0.313964 0.623773 0.376637 F\n0.211351 0.785584 0.739999 F\n0.262445 0.261233 0.736920 F\n0.607544 0.345230 0.370768 F\n0.846411 0.823076 0.206742 F\n0.785208 0.204044 0.741887 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sc",
"N",
"F"
],
"chemical_system": "F-N-Sc",
"density": 1.5355753009741453,
"density_atomic": 0.046014901881988486,
"volume": 217.32090238171907,
"volume_molar": 13.087370642329315,
"formula_full": "Sc1 N3 F6",
"formula_reduced": "Sc(NF2)3",
"formula_anonymous": "AB3C6",
"energy": -50.3440536,
"energy_per_atom": -5.03440536,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.5720536,
"band_gap": 2.1281,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 6.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:21.523000Z",
"spacegroup": 1
},
{
"id": "mp-1215364",
"created_at": "2022-09-04T14:47:44.179743Z",
"structure_string": "Zr4 W1 C5\n1.0\n13.406919 -1.645418 0.000000\n13.406919 1.645418 0.000000\n13.204979 0.000000 2.842783\nZr W C\n4 1 5\ndirect\n0.102218 0.102218 0.102218 Zr\n0.700712 0.700712 0.700712 Zr\n0.299288 0.299288 0.299288 Zr\n0.897782 0.897782 0.897782 Zr\n0.500000 0.500000 0.500000 W\n0.598064 0.598064 0.598064 C\n0.401936 0.401936 0.401936 C\n0.000000 0.000000 0.000000 C\n0.195597 0.195597 0.195597 C\n0.804403 0.804403 0.804403 C\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Zr",
"W",
"C"
],
"chemical_system": "C-W-Zr",
"density": 8.060042207498078,
"density_atomic": 0.07972987169106645,
"volume": 125.42350549299175,
"volume_molar": 7.553180046914295,
"formula_full": "Zr4 W1 C5",
"formula_reduced": "Zr4WC5",
"formula_anonymous": "AB4C5",
"energy": -99.37001109,
"energy_per_atom": -9.937001109,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -99.37001109,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0026963,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:21.649000Z",
"spacegroup": 166
},
{
"id": "mp-1025360",
"created_at": "2022-09-04T14:47:44.199058Z",
"structure_string": "Na2 Ti2 As2 O1\n1.0\n-2.034885 2.034885 7.738685\n2.034885 -2.034885 7.738685\n2.034885 2.034885 -7.738685\nNa Ti As O\n2 2 2 1\ndirect\n0.181965 0.181965 0.000000 Na\n0.818035 0.818035 0.000000 Na\n0.500000 0.000000 0.500000 Ti\n0.000000 0.500000 0.500000 Ti\n0.382538 0.382538 0.000000 As\n0.617462 0.617462 0.000000 As\n0.000000 0.000000 0.000000 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Na",
"Ti",
"As",
"O"
],
"chemical_system": "As-Na-O-Ti",
"density": 3.9844336171475656,
"density_atomic": 0.05461238441990888,
"volume": 128.17605519981944,
"volume_molar": 11.027060663926322,
"formula_full": "Na2 Ti2 As2 O1",
"formula_reduced": "Na2Ti2As2O",
"formula_anonymous": "AB2C2D2",
"energy": -42.04412655,
"energy_per_atom": -6.006303792857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.35712655,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0771204,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:22.895000Z",
"spacegroup": 139
},
{
"id": "mp-1187342",
"created_at": "2022-09-04T14:47:44.200542Z",
"structure_string": "Tb1 Er1 O3\n1.0\n4.249760 0.000000 0.000000\n0.000000 4.249760 0.000000\n0.000000 0.000000 4.249760\nTb Er O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.500000 Er\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Tb",
"Er",
"O"
],
"chemical_system": "Er-O-Tb",
"density": 8.095420538997141,
"density_atomic": 0.06514435536088391,
"volume": 76.75262073438618,
"volume_molar": 9.244301715227364,
"formula_full": "Tb1 Er1 O3",
"formula_reduced": "TbErO3",
"formula_anonymous": "ABC3",
"energy": -40.01798608,
"energy_per_atom": -8.003597216,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.95698608,
"band_gap": 1.7284000000000002,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 4.09e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:18.256000Z",
"spacegroup": 221
},
{
"id": "mp-25283",
"created_at": "2022-09-04T14:47:44.220326Z",
"structure_string": "V4 O8\n1.0\n5.129364 0.006660 2.955498\n1.716187 4.833971 -2.956286\n-5.136383 0.002721 2.967990\nV O\n4 8\ndirect\n0.499986 0.499970 0.000011 V\n0.999964 0.000012 0.499925 V\n0.999955 0.499936 0.999969 V\n0.000082 0.500105 0.500096 V\n0.760692 0.734372 0.033110 O\n0.201365 0.737883 0.466616 O\n0.239282 0.265562 0.966839 O\n0.227818 0.701257 0.966943 O\n0.798637 0.262157 0.533388 O\n0.234364 0.271072 0.532956 O\n0.765638 0.728949 0.467041 O\n0.772224 0.298731 0.033111 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"V",
"O"
],
"chemical_system": "O-V",
"density": 3.745174533850451,
"density_atomic": 0.08157904500493357,
"volume": 147.09659814323996,
"volume_molar": 7.381970161131213,
"formula_full": "V4 O8",
"formula_reduced": "VO2",
"formula_anonymous": "AB2",
"energy": -103.72884915,
"energy_per_atom": -8.6440707625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -91.43284915,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0000009,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:20.770000Z",
"spacegroup": 227
},
{
"id": "mp-2707",
"created_at": "2022-09-04T14:47:44.223776Z",
"structure_string": "U2 Sb4\n1.0\n4.311774 0.000000 0.000000\n0.000000 4.311774 0.000000\n0.000000 0.000000 8.699674\nU Sb\n2 4\ndirect\n0.000000 0.500000 0.281505 U\n0.500000 0.000000 0.718495 U\n0.500000 0.500000 0.000000 Sb\n0.000000 0.000000 0.000000 Sb\n0.000000 0.500000 0.643181 Sb\n0.500000 0.000000 0.356819 Sb\n",
"nsites": 6,
"nelements": 2,
"elements": [
"U",
"Sb"
],
"chemical_system": "Sb-U",
"density": 9.887910795612763,
"density_atomic": 0.037096786692393274,
"volume": 161.73907594078236,
"volume_molar": 16.233591361795344,
"formula_full": "U2 Sb4",
"formula_reduced": "USb2",
"formula_anonymous": "AB2",
"energy": -41.41350676,
"energy_per_atom": -6.902251126666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.64550676,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.8476341,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:23.411000Z",
"spacegroup": 129
},
{
"id": "mp-1080511",
"created_at": "2022-09-04T14:47:44.317670Z",
"structure_string": "Ba1 Mg1 C2 O4\n1.0\n2.632476 3.623955 0.000000\n-2.632476 3.623955 0.000000\n0.000000 2.329989 5.976793\nBa Mg C O\n1 1 2 4\ndirect\n0.000000 0.000000 0.500000 Ba\n0.500000 0.500000 0.000000 Mg\n0.266825 0.266825 0.820031 C\n0.733175 0.733175 0.179969 C\n0.024117 0.604804 0.219573 O\n0.395196 0.975883 0.780427 O\n0.975883 0.395196 0.780427 O\n0.604804 0.024117 0.219573 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ba",
"Mg",
"C",
"O"
],
"chemical_system": "Ba-C-Mg-O",
"density": 3.6352725771501047,
"density_atomic": 0.07015272734539445,
"volume": 114.0369063716124,
"volume_molar": 8.584328775059884,
"formula_full": "Ba1 Mg1 C2 O4",
"formula_reduced": "BaMg(CO2)2",
"formula_anonymous": "ABC2D4",
"energy": -57.24117859,
"energy_per_atom": -7.15514732375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -54.49317859,
"band_gap": 1.2620999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000357,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:21.878000Z",
"spacegroup": 12
}
]
}