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=density&page=152",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=density&page=150",
"results": [
{
"id": "mp-1093794",
"created_at": "2022-09-04T14:48:21.007849Z",
"structure_string": "Zn1 Sn1 Rh2\n1.0\n-4.968723 5.421324 7.667868\n4.968723 -5.421324 7.667868\n4.968723 5.421324 -7.667868\nZn Sn Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Sn\n0.000000 0.252559 0.252559 Rh\n0.000000 0.747441 0.747441 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zn",
"Sn",
"Rh"
],
"chemical_system": "Rh-Sn-Zn",
"density": 0.7837020423732679,
"density_atomic": 0.004841447454365947,
"volume": 826.1991971828297,
"volume_molar": 124.38719653084989,
"formula_full": "Zn1 Sn1 Rh2",
"formula_reduced": "ZnSnRh2",
"formula_anonymous": "ABC2",
"energy": -12.07401783,
"energy_per_atom": -3.0185044575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.07401783,
"band_gap": 0.209,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9992135,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:05.222000Z",
"spacegroup": 71
},
{
"id": "mp-1096056",
"created_at": "2022-09-04T14:43:47.474518Z",
"structure_string": "In1 Ag1 Pd2\n1.0\n-5.167570 5.619824 7.940083\n5.167570 -5.619824 7.940083\n5.167570 5.619824 -7.940083\nIn Ag Pd\n1 1 2\ndirect\n0.000000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Ag\n0.000000 0.257690 0.257690 Pd\n0.000000 0.742310 0.742310 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"In",
"Ag",
"Pd"
],
"chemical_system": "Ag-In-Pd",
"density": 0.784096051621511,
"density_atomic": 0.004336764854887504,
"volume": 922.3465264647742,
"volume_molar": 138.8625152966984,
"formula_full": "In1 Ag1 Pd2",
"formula_reduced": "InAgPd2",
"formula_anonymous": "ABC2",
"energy": -10.04078789,
"energy_per_atom": -2.5101969725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.04078789,
"band_gap": 0.3441999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.24e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:20.891000Z",
"spacegroup": 71
},
{
"id": "mp-1095786",
"created_at": "2022-09-04T14:42:25.003396Z",
"structure_string": "Mn2 Ge1 W1\n1.0\n-5.131800 5.160666 7.317525\n5.131800 -5.160666 7.317525\n5.131800 5.160666 -7.317525\nMn Ge W\n2 1 1\ndirect\n0.000000 0.229881 0.229881 Mn\n0.000000 0.770119 0.770119 Mn\n0.000000 0.000000 0.000000 Ge\n0.000000 0.500000 0.500000 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Ge",
"W"
],
"chemical_system": "Ge-Mn-W",
"density": 0.7847888639899263,
"density_atomic": 0.005160126048360298,
"volume": 775.174862496054,
"volume_molar": 116.70530338912204,
"formula_full": "Mn2 Ge1 W1",
"formula_reduced": "Mn2GeW",
"formula_anonymous": "ABC2",
"energy": -22.38404707,
"energy_per_atom": -5.5960117675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.38404707,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.6577464,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:47.491000Z",
"spacegroup": 71
},
{
"id": "mp-1097349",
"created_at": "2022-09-04T14:40:13.747385Z",
"structure_string": "Sr1 Hg2 Pb1\n1.0\n-6.222020 6.482761 9.125378\n6.222020 -6.482761 9.125378\n6.222020 6.482761 -9.125378\nSr Hg Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.263185 0.263185 Hg\n0.000000 0.736815 0.736815 Hg\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Hg",
"Pb"
],
"chemical_system": "Hg-Pb-Sr",
"density": 0.7849754400723382,
"density_atomic": 0.0027168003418920664,
"volume": 1472.320191631849,
"volume_molar": 221.66298594492923,
"formula_full": "Sr1 Hg2 Pb1",
"formula_reduced": "SrHg2Pb",
"formula_anonymous": "ABC2",
"energy": -2.8125653,
"energy_per_atom": -0.703141325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.8125653,
"band_gap": 0.3974000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.000255,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:55.963000Z",
"spacegroup": 71
},
{
"id": "mp-1097211",
"created_at": "2022-09-04T14:48:18.008626Z",
"structure_string": "Ti1 V2 Os1\n1.0\n-4.590320 5.276992 7.419889\n4.590320 -5.276992 7.419889\n4.590320 5.276992 -7.419889\nTi V Os\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.258250 0.258250 V\n0.000000 0.741750 0.741750 V\n0.000000 0.500000 0.500000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"V",
"Os"
],
"chemical_system": "Os-Ti-V",
"density": 0.7852639666088574,
"density_atomic": 0.005563821568690759,
"volume": 718.930316261248,
"volume_molar": 108.23748902891381,
"formula_full": "Ti1 V2 Os1",
"formula_reduced": "TiV2Os",
"formula_anonymous": "ABC2",
"energy": -22.05648885,
"energy_per_atom": -5.5141222125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.05648885,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.3084868,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:52.179000Z",
"spacegroup": 71
},
{
"id": "mp-1093589",
"created_at": "2022-09-04T14:45:30.582378Z",
"structure_string": "Zn1 Sb1 Ru2\n1.0\n-5.022262 5.383708 7.608898\n5.022262 -5.383708 7.608898\n5.022262 5.383708 -7.608898\nZn Sb Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Sb\n0.000000 0.257555 0.257555 Ru\n0.000000 0.742445 0.742445 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zn",
"Sb",
"Ru"
],
"chemical_system": "Ru-Sb-Zn",
"density": 0.7855628296683416,
"density_atomic": 0.004860683865743161,
"volume": 822.9294705197683,
"volume_molar": 123.89492767555788,
"formula_full": "Zn1 Sb1 Ru2",
"formula_reduced": "ZnSbRu2",
"formula_anonymous": "ABC2",
"energy": -13.00575927,
"energy_per_atom": -3.2514398175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.00575927,
"band_gap": 0.0113000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.3810123,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:03.884000Z",
"spacegroup": 71
},
{
"id": "mp-1093921",
"created_at": "2022-09-04T14:46:59.531307Z",
"structure_string": "Y2 Hg1 Ir1\n1.0\n-5.638035 6.269078 8.531216\n5.638035 -6.269078 8.531216\n5.638035 6.269078 -8.531216\nY Hg Ir\n2 1 1\ndirect\n0.000000 0.216351 0.216351 Y\n0.000000 0.783649 0.783649 Y\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Hg",
"Ir"
],
"chemical_system": "Hg-Ir-Y",
"density": 0.7855841767495513,
"density_atomic": 0.00331632909531315,
"volume": 1206.1529133682957,
"volume_molar": 181.5905655596991,
"formula_full": "Y2 Hg1 Ir1",
"formula_reduced": "Y2HgIr",
"formula_anonymous": "ABC2",
"energy": -14.99033851,
"energy_per_atom": -3.7475846275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.99033851,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.3597712,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:51.343000Z",
"spacegroup": 71
},
{
"id": "mp-29611",
"created_at": "2022-09-04T14:45:36.738158Z",
"structure_string": "B40 H64\n1.0\n6.061127 0.000000 0.000000\n0.000000 11.412392 0.000000\n0.000000 0.000000 15.183705\nB H\n40 64\ndirect\n0.062241 0.151830 0.110425 B\n0.937759 0.848170 0.610425 B\n0.437759 0.651830 0.110425 B\n0.562241 0.348170 0.610425 B\n0.176069 0.042086 0.039582 B\n0.823931 0.957914 0.539582 B\n0.323931 0.542086 0.039582 B\n0.676069 0.457914 0.539582 B\n0.403779 0.025875 0.113236 B\n0.596221 0.974125 0.613236 B\n0.096221 0.525875 0.113236 B\n0.903779 0.474125 0.613236 B\n0.293426 0.138014 0.184910 B\n0.706574 0.861986 0.684910 B\n0.206574 0.638014 0.184910 B\n0.793426 0.361986 0.684910 B\n0.326219 0.158635 0.074361 B\n0.673781 0.841365 0.574361 B\n0.173781 0.658635 0.074361 B\n0.826219 0.341365 0.574361 B\n0.540423 0.334671 0.282994 B\n0.459577 0.665329 0.782994 B\n0.959577 0.834671 0.282994 B\n0.040423 0.165329 0.782994 B\n0.276701 0.322226 0.334623 B\n0.723299 0.677774 0.834623 B\n0.223299 0.822226 0.334623 B\n0.776701 0.177774 0.834623 B\n0.360908 0.188333 0.385111 B\n0.639092 0.811667 0.885111 B\n0.139092 0.688333 0.385111 B\n0.860908 0.311667 0.885111 B\n0.623397 0.200457 0.332981 B\n0.376603 0.799543 0.832981 B\n0.876603 0.700457 0.332981 B\n0.123397 0.299543 0.832981 B\n0.385022 0.210579 0.274316 B\n0.614978 0.789421 0.774316 B\n0.114978 0.710579 0.274316 B\n0.885022 0.289421 0.774316 B\n0.985655 0.045185 0.085037 H\n0.014345 0.954815 0.585037 H\n0.514345 0.545185 0.085037 H\n0.485655 0.454815 0.585037 H\n0.072023 0.116166 0.194091 H\n0.927977 0.883834 0.694091 H\n0.427977 0.616166 0.194091 H\n0.572023 0.383834 0.694091 H\n0.134980 0.007290 0.967383 H\n0.865020 0.992710 0.467383 H\n0.365020 0.507290 0.967383 H\n0.634980 0.492710 0.467383 H\n0.912100 0.218747 0.103898 H\n0.087900 0.781253 0.603898 H\n0.587900 0.718747 0.103898 H\n0.412100 0.281253 0.603898 H\n0.574731 0.974529 0.109525 H\n0.425269 0.025471 0.609525 H\n0.925269 0.474529 0.109525 H\n0.074731 0.525471 0.609525 H\n0.424212 0.231623 0.034120 H\n0.575788 0.768377 0.534120 H\n0.075788 0.731623 0.034120 H\n0.924212 0.268377 0.534120 H\n0.617168 0.397035 0.228032 H\n0.331650 0.020562 0.196194 H\n0.382832 0.602965 0.728032 H\n0.117168 0.102965 0.728032 H\n0.107062 0.374332 0.328647 H\n0.892938 0.625668 0.828647 H\n0.392938 0.874332 0.328647 H\n0.607062 0.125668 0.828647 H\n0.269862 0.113919 0.426352 H\n0.730138 0.886081 0.926352 H\n0.230138 0.613919 0.426352 H\n0.769862 0.386081 0.926352 H\n0.779148 0.137536 0.325853 H\n0.220852 0.862464 0.825853 H\n0.720852 0.637536 0.325853 H\n0.279148 0.362464 0.825853 H\n0.065302 0.299334 0.919023 H\n0.934698 0.700666 0.419023 H\n0.434698 0.799334 0.919023 H\n0.565302 0.200666 0.419023 H\n0.938639 0.096823 0.842957 H\n0.061361 0.903177 0.342957 H\n0.561361 0.596823 0.842957 H\n0.438639 0.403177 0.342957 H\n0.744426 0.550350 0.587305 H\n0.255574 0.449650 0.087305 H\n0.755574 0.050350 0.587305 H\n0.244426 0.949650 0.087305 H\n0.801482 0.207598 0.920227 H\n0.198518 0.792402 0.420227 H\n0.698518 0.707598 0.920227 H\n0.301482 0.292402 0.420227 H\n0.201164 0.188894 0.841714 H\n0.798836 0.811106 0.341714 H\n0.298836 0.688894 0.841714 H\n0.701164 0.311106 0.341714 H\n0.831650 0.479438 0.696194 H\n0.168350 0.520562 0.196194 H\n0.668350 0.979438 0.696194 H\n0.882832 0.897035 0.228032 H\n",
"nsites": 104,
"nelements": 2,
"elements": [
"B",
"H"
],
"chemical_system": "B-H",
"density": 0.7856920565347503,
"density_atomic": 0.09902059173547029,
"volume": 1050.286593699945,
"volume_molar": 6.081705486155767,
"formula_full": "B40 H64",
"formula_reduced": "B5H8",
"formula_anonymous": "A5B8",
"energy": -500.1781475900001,
"energy_per_atom": -4.809405265288462,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -488.72214759,
"band_gap": 5.4267,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.000129,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:08.280000Z",
"spacegroup": 33
},
{
"id": "mp-1096121",
"created_at": "2022-09-04T14:45:14.248876Z",
"structure_string": "K1 Tl1 Hg2\n1.0\n-6.225479 6.437354 8.494041\n6.225479 -6.437354 8.494041\n6.225479 6.437354 -8.494041\nK Tl Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.000000 0.500000 Tl\n0.259780 0.000000 0.259780 Hg\n0.740220 0.000000 0.740220 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Tl",
"Hg"
],
"chemical_system": "Hg-K-Tl",
"density": 0.7861879628033146,
"density_atomic": 0.0029376867351524325,
"volume": 1361.6155705562137,
"volume_molar": 204.9960156724308,
"formula_full": "K1 Tl1 Hg2",
"formula_reduced": "KTlHg2",
"formula_anonymous": "ABC2",
"energy": -2.17041384,
"energy_per_atom": -0.54260346,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.17041384,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1652586,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:50.141000Z",
"spacegroup": 71
},
{
"id": "mp-1096185",
"created_at": "2022-09-04T14:42:05.073073Z",
"structure_string": "Ti2 Cu1 Os1\n1.0\n-4.767375 5.204576 7.437358\n4.767375 -5.204576 7.437358\n4.767375 5.204576 -7.437358\nTi Cu Os\n2 1 1\ndirect\n0.000000 0.272045 0.272045 Ti\n0.000000 0.727955 0.727955 Ti\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Cu",
"Os"
],
"chemical_system": "Cu-Os-Ti",
"density": 0.7862585042518809,
"density_atomic": 0.005418968713900244,
"volume": 738.1478305529915,
"volume_molar": 111.1307534319686,
"formula_full": "Ti2 Cu1 Os1",
"formula_reduced": "Ti2CuOs",
"formula_anonymous": "ABC2",
"energy": -19.24833567,
"energy_per_atom": -4.8120839175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.24833567,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9996796,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:34.280000Z",
"spacegroup": 71
},
{
"id": "mp-1097601",
"created_at": "2022-09-04T14:44:10.112410Z",
"structure_string": "Ga1 Cu1 Ni2\n1.0\n-7.835762 0.000000 -4.523979\n-7.838761 -0.100173 4.529174\n-5.177619 7.426674 -0.080059\nGa Cu Ni\n1 1 2\ndirect\n0.500000 0.000000 0.000000 Ga\n0.000000 0.000000 0.000000 Cu\n0.744797 0.000000 0.000000 Ni\n0.255203 0.000000 0.000000 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ga",
"Cu",
"Ni"
],
"chemical_system": "Cu-Ga-Ni",
"density": 0.7864848016279404,
"density_atomic": 0.007558288589597219,
"volume": 529.2203324315194,
"volume_molar": 79.67598337391507,
"formula_full": "Ga1 Cu1 Ni2",
"formula_reduced": "GaCuNi2",
"formula_anonymous": "ABC2",
"energy": -10.49518335,
"energy_per_atom": -2.6237958375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.49518335,
"band_gap": 0.0026999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0003278,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:28.309000Z",
"spacegroup": 71
},
{
"id": "mp-696308",
"created_at": "2022-09-04T14:45:08.719615Z",
"structure_string": "B6 H14 C2 O2\n1.0\n5.851622 0.000000 0.000000\n1.270379 5.832664 0.000000\n2.410846 1.649276 8.349428\nB H C O\n6 14 2 2\ndirect\n0.834564 0.269979 0.346981 B\n0.596178 0.388276 0.238770 B\n0.788010 0.574804 0.244452 B\n0.165366 0.736145 0.650671 B\n0.380863 0.618866 0.778013 B\n0.200110 0.432575 0.759359 B\n0.696883 0.133936 0.422629 H\n0.915022 0.327956 0.441687 H\n0.635658 0.277363 0.134592 H\n0.398566 0.407624 0.325422 H\n0.634543 0.598513 0.155057 H\n0.971067 0.607133 0.145006 H\n0.708307 0.705519 0.337084 H\n0.304327 0.866668 0.568700 H\n0.085944 0.661017 0.562873 H\n0.333827 0.744488 0.874240 H\n0.585135 0.582485 0.703520 H\n0.313181 0.425064 0.872087 H\n0.002985 0.401720 0.839649 H\n0.309711 0.295272 0.675610 H\n0.039278 0.126143 0.246920 C\n0.957111 0.881285 0.747814 C\n0.803074 0.990204 0.822983 O\n0.192292 0.012962 0.173882 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"B",
"H",
"C",
"O"
],
"chemical_system": "B-C-H-O",
"density": 0.7866371017533462,
"density_atomic": 0.08421923549499072,
"volume": 284.97052791968764,
"volume_molar": 7.150552631599454,
"formula_full": "B6 H14 C2 O2",
"formula_reduced": "B3H7CO",
"formula_anonymous": "ABC3D7",
"energy": -122.76203752,
"energy_per_atom": -5.115084896666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -118.88203751999998,
"band_gap": 4.0448,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007973,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:48.742000Z",
"spacegroup": 1
}
]
}