HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": null,
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_gap_direct&page=12193",
"results": [
{
"id": "mp-1034266",
"created_at": "2022-09-04T14:39:29.841054Z",
"structure_string": "Mg14 Ti1 Sn1 O16\n1.0\n8.720509 0.000000 0.000000\n0.000000 8.756705 0.000000\n0.000000 0.000000 4.356131\nMg Ti Sn O\n14 1 1 16\ndirect\n0.500000 -0.000000 -0.000000 Mg\n0.500000 0.500000 -0.000000 Mg\n-0.000000 0.255907 0.500000 Mg\n-0.000000 0.744093 0.500000 Mg\n0.500000 0.250724 0.500000 Mg\n0.500000 0.749276 0.500000 Mg\n0.259900 -0.000000 0.500000 Mg\n0.253537 0.500000 0.500000 Mg\n0.740100 -0.000000 0.500000 Mg\n0.746463 0.500000 0.500000 Mg\n0.255623 0.253621 0.000000 Mg\n0.255623 0.746379 0.000000 Mg\n0.744377 0.253621 0.000000 Mg\n0.744377 0.746379 0.000000 Mg\n-0.000000 0.500000 -0.000000 Ti\n-0.000000 -0.000000 -0.000000 Sn\n0.272989 -0.000000 -0.000000 O\n0.257668 0.500000 -0.000000 O\n0.727011 -0.000000 0.000000 O\n0.742332 0.500000 -0.000000 O\n0.248656 0.250153 0.500000 O\n0.248656 0.749847 0.500000 O\n0.751344 0.250153 0.500000 O\n0.751344 0.749847 0.500000 O\n-0.000000 -0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n0.500000 -0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n-0.000000 0.265582 -0.000000 O\n-0.000000 0.734418 -0.000000 O\n0.500000 0.253707 0.000000 O\n0.500000 0.746293 -0.000000 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Mg",
"Ti",
"Sn",
"O"
],
"chemical_system": "Mg-O-Sn-Ti",
"density": 3.808005695092004,
"density_atomic": 0.09619809964703092,
"volume": 332.6469038100968,
"volume_molar": 6.2601452441330725,
"formula_full": "Mg14 Ti1 Sn1 O16",
"formula_reduced": "Mg14TiSnO16",
"formula_anonymous": "ABC14D16",
"energy": -202.79415801,
"energy_per_atom": -6.3373174378125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -191.80215801,
"band_gap": 0.0,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 1.8820657,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:37.592000Z",
"spacegroup": 47
},
{
"id": "mp-561320",
"created_at": "2022-09-04T14:39:26.544281Z",
"structure_string": "Pb2 S2\n1.0\n3.012737 3.003715 0.000000\n-3.012737 3.003715 0.000000\n0.000000 2.132706 22.337020\nPb S\n2 2\ndirect\n0.270001 0.273719 0.937441 Pb\n0.726281 0.729999 0.062559 Pb\n0.751790 0.788672 0.942033 S\n0.211328 0.248210 0.057967 S\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pb",
"S"
],
"chemical_system": "Pb-S",
"density": 1.965545465358616,
"density_atomic": 0.00989429416476278,
"volume": 404.2734058024544,
"volume_molar": 60.86478388167453,
"formula_full": "Pb2 S2",
"formula_reduced": "PbS",
"formula_anonymous": "AB",
"energy": -18.60239507,
"energy_per_atom": -4.6505987675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.59639507,
"band_gap": 1.6721,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 2.28e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:30.479000Z",
"spacegroup": 5
},
{
"id": "mp-1224400",
"created_at": "2022-09-04T14:39:29.612994Z",
"structure_string": "In2 Cu2 Se2 S2\n1.0\n-2.850393 2.863164 5.735499\n2.850393 -2.863164 5.735499\n2.850393 2.863164 -5.735499\nIn Cu Se S\n2 2 2 2\ndirect\n0.380207 0.630207 0.750000 In\n0.119793 0.869793 0.250000 In\n0.885535 0.135535 0.750000 Cu\n0.614465 0.364465 0.250000 Cu\n0.533827 0.750000 0.283827 Se\n0.966173 0.250000 0.216173 Se\n0.250000 0.029096 0.779096 S\n0.750000 0.470904 0.720904 S\n",
"nsites": 8,
"nelements": 4,
"elements": [
"In",
"Cu",
"Se",
"S"
],
"chemical_system": "Cu-In-S-Se",
"density": 5.13309077937662,
"density_atomic": 0.042727533137675175,
"volume": 187.23290142266526,
"volume_molar": 14.094286090881182,
"formula_full": "In2 Cu2 Se2 S2",
"formula_reduced": "InCuSeS",
"formula_anonymous": "ABCD",
"energy": -34.508977970000004,
"energy_per_atom": -4.3136222462500005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.55897797,
"band_gap": 0.1883999999999996,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 9.8e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.995000Z",
"spacegroup": 24
},
{
"id": "mp-1194681",
"created_at": "2022-09-04T14:39:29.635121Z",
"structure_string": "Mg4 H32 C16 N8 O24\n1.0\n8.600245 0.000000 0.000000\n0.000000 8.769983 0.000000\n0.000000 0.069502 12.602749\nMg H C N O\n4 32 16 8 24\ndirect\n0.000000 0.000000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.141977 0.005058 0.137439 H\n0.641977 0.994942 0.362561 H\n0.858023 0.994942 0.862561 H\n0.358023 0.005058 0.637439 H\n0.448647 0.292474 0.165432 H\n0.948647 0.707526 0.334568 H\n0.551353 0.707526 0.834568 H\n0.051353 0.292474 0.665432 H\n0.522843 0.279157 0.297842 H\n0.022843 0.720843 0.202158 H\n0.477157 0.720843 0.702158 H\n0.977157 0.279157 0.797842 H\n0.028352 0.170063 0.119864 H\n0.528352 0.829937 0.380136 H\n0.971648 0.829937 0.880136 H\n0.471648 0.170063 0.619864 H\n0.201909 0.700576 0.454761 H\n0.701909 0.299424 0.045239 H\n0.798091 0.299424 0.545239 H\n0.298091 0.700576 0.954761 H\n0.370217 0.539956 0.188827 H\n0.870217 0.460044 0.311173 H\n0.629783 0.460044 0.811173 H\n0.129783 0.539956 0.688827 H\n0.280620 0.214106 0.420890 H\n0.780620 0.785894 0.079110 H\n0.719380 0.785894 0.579110 H\n0.219380 0.214106 0.920890 H\n0.939817 0.180283 0.287737 H\n0.439817 0.819717 0.212263 H\n0.060183 0.819717 0.712263 H\n0.560183 0.180283 0.787737 H\n0.270041 0.766823 0.513245 C\n0.770041 0.233177 0.986755 C\n0.729959 0.233177 0.486755 C\n0.229959 0.766823 0.013245 C\n0.224822 0.272328 0.489186 C\n0.724822 0.727672 0.010814 C\n0.775178 0.727672 0.510814 C\n0.275178 0.272328 0.989186 C\n0.020664 0.086666 0.268653 C\n0.520664 0.913334 0.231347 C\n0.979336 0.913334 0.731347 C\n0.479336 0.086666 0.768653 C\n0.426023 0.482512 0.257089 C\n0.926023 0.517488 0.242911 C\n0.573977 0.517488 0.742911 C\n0.073977 0.482512 0.757089 C\n0.065591 0.084195 0.168113 N\n0.565591 0.915805 0.331887 N\n0.934409 0.915805 0.831887 N\n0.434409 0.084195 0.668113 N\n0.469673 0.340304 0.238579 N\n0.969673 0.659696 0.261421 N\n0.530327 0.659696 0.761421 N\n0.030327 0.340304 0.738579 N\n0.213279 0.892182 0.545329 O\n0.713279 0.107818 0.954671 O\n0.786721 0.107818 0.454671 O\n0.286721 0.892182 0.045329 O\n0.101073 0.212571 0.526355 O\n0.601073 0.787429 0.973645 O\n0.898927 0.787429 0.473645 O\n0.398927 0.212571 0.026355 O\n0.062489 0.992460 0.338589 O\n0.562489 0.007540 0.161411 O\n0.937511 0.007540 0.661411 O\n0.437511 0.992460 0.838589 O\n0.288168 0.390945 0.525063 O\n0.788168 0.609055 0.974937 O\n0.711832 0.609055 0.474937 O\n0.211832 0.390945 0.025063 O\n0.399476 0.712139 0.543849 O\n0.899476 0.287861 0.956151 O\n0.600524 0.287861 0.456151 O\n0.100524 0.712139 0.043849 O\n0.442547 0.552601 0.343132 O\n0.942547 0.447399 0.156868 O\n0.557453 0.447399 0.656868 O\n0.057453 0.552601 0.843132 O\n",
"nsites": 84,
"nelements": 5,
"elements": [
"Mg",
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-Mg-N-O",
"density": 1.4284333803924336,
"density_atomic": 0.08836991236793475,
"volume": 950.5497714002444,
"volume_molar": 6.814695860426302,
"formula_full": "Mg4 H32 C16 N8 O24",
"formula_reduced": "MgH8C4(NO3)2",
"formula_anonymous": "AB2C4D6E8",
"energy": -542.44460396,
"energy_per_atom": -6.457673856666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -523.06860396,
"band_gap": 4.7958,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.000987,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:28.746000Z",
"spacegroup": 14
},
{
"id": "mp-882498",
"created_at": "2022-09-04T14:39:23.493028Z",
"structure_string": "Mn4 P10 O30\n1.0\n8.550712 0.000000 0.000000\n0.000000 5.404366 0.000000\n0.000000 4.347989 12.922828\nMn P O\n4 10 30\ndirect\n0.718180 0.905108 0.954684 Mn\n0.281820 0.905108 0.454684 Mn\n0.718180 0.094892 0.545316 Mn\n0.281820 0.094892 0.045316 Mn\n0.058307 0.000000 0.250000 P\n0.941693 0.000000 0.750000 P\n0.174461 0.305354 0.591860 P\n0.490957 0.465370 0.640032 P\n0.174461 0.694646 0.908140 P\n0.825539 0.305354 0.091860 P\n0.509043 0.465370 0.140032 P\n0.825539 0.694646 0.408140 P\n0.490957 0.534630 0.859968 P\n0.509043 0.534630 0.359968 P\n0.658845 0.716343 0.348602 O\n0.631872 0.695404 0.868292 O\n0.854793 0.094413 0.827844 O\n0.341155 0.716343 0.848602 O\n0.059233 0.767781 0.810022 O\n0.854793 0.905587 0.672156 O\n0.940767 0.232219 0.189978 O\n0.940767 0.767781 0.310022 O\n0.145207 0.094413 0.327844 O\n0.528960 0.734072 0.060564 O\n0.498200 0.500000 0.250000 O\n0.824139 0.900792 0.459564 O\n0.145207 0.905587 0.172156 O\n0.854968 0.414804 0.468788 O\n0.341155 0.283657 0.651398 O\n0.631872 0.304596 0.631708 O\n0.528960 0.265928 0.439436 O\n0.824139 0.099208 0.040436 O\n0.368128 0.695404 0.368292 O\n0.145032 0.585196 0.531212 O\n0.145032 0.414804 0.968788 O\n0.658845 0.283657 0.151398 O\n0.854968 0.585196 0.031212 O\n0.471040 0.265928 0.939436 O\n0.059233 0.232219 0.689978 O\n0.175861 0.099208 0.540436 O\n0.501800 0.500000 0.750000 O\n0.175861 0.900792 0.959564 O\n0.471040 0.734072 0.560564 O\n0.368128 0.304596 0.131708 O\n",
"nsites": 44,
"nelements": 3,
"elements": [
"Mn",
"P",
"O"
],
"chemical_system": "Mn-O-P",
"density": 2.8069759562651364,
"density_atomic": 0.0736797392729406,
"volume": 597.1790947441546,
"volume_molar": 8.173401289724262,
"formula_full": "Mn4 P10 O30",
"formula_reduced": "Mn2(PO3)5",
"formula_anonymous": "A2B5C15",
"energy": -349.37245337,
"energy_per_atom": -7.940283031136364,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -322.09045337,
"band_gap": 0.0132000000000001,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 18.0005064,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:35.390000Z",
"spacegroup": 13
},
{
"id": "mp-1200002",
"created_at": "2022-09-04T14:39:25.523477Z",
"structure_string": "U4 P8 H32 C8 N4 O32\n1.0\n8.862883 0.000000 0.000000\n0.000000 12.028528 0.000000\n-7.851477 0.000000 10.172759\nU P H C N O\n4 8 32 8 4 32\ndirect\n0.063554 0.363702 0.727196 U\n0.063554 0.136298 0.227196 U\n0.936446 0.636298 0.272804 U\n0.936446 0.863702 0.772804 U\n0.947348 0.633571 0.580006 P\n0.947348 0.866429 0.080006 P\n0.052652 0.366429 0.419994 P\n0.052652 0.133571 0.919994 P\n0.173159 0.605128 0.950312 P\n0.173159 0.894872 0.450312 P\n0.826841 0.394872 0.049688 P\n0.826841 0.105128 0.549688 P\n0.600147 0.487830 0.698496 H\n0.600147 0.012170 0.198496 H\n0.399853 0.512170 0.301504 H\n0.399853 0.987830 0.801504 H\n0.536244 0.617197 0.623159 H\n0.536244 0.882803 0.123159 H\n0.463756 0.382803 0.376841 H\n0.463756 0.117197 0.876841 H\n0.364862 0.549859 0.634713 H\n0.364862 0.950141 0.134713 H\n0.635138 0.450141 0.365287 H\n0.635138 0.049859 0.865287 H\n0.470231 0.759391 0.768451 H\n0.470231 0.740609 0.268451 H\n0.529769 0.240609 0.231549 H\n0.529769 0.259391 0.731549 H\n0.611589 0.711163 0.937406 H\n0.611589 0.788837 0.437406 H\n0.388411 0.288837 0.062594 H\n0.388411 0.211163 0.562594 H\n0.378816 0.648074 0.799792 H\n0.378816 0.851926 0.299792 H\n0.621184 0.351926 0.200208 H\n0.621184 0.148074 0.700208 H\n0.772583 0.590988 0.543587 H\n0.772583 0.909012 0.043587 H\n0.227417 0.409012 0.456413 H\n0.227417 0.090988 0.956413 H\n0.317703 0.646222 0.945454 H\n0.317703 0.853778 0.445454 H\n0.682297 0.353778 0.054546 H\n0.682297 0.146222 0.554546 H\n0.518268 0.562624 0.685916 C\n0.518268 0.937376 0.185916 C\n0.481732 0.437376 0.314084 C\n0.481732 0.062624 0.814084 C\n0.519108 0.683635 0.834703 C\n0.519108 0.816365 0.334703 C\n0.480892 0.316365 0.165297 C\n0.480892 0.183635 0.665297 C\n0.616061 0.619778 0.804095 N\n0.616061 0.880222 0.304095 N\n0.383939 0.380222 0.195905 N\n0.383939 0.119778 0.695905 N\n0.023548 0.246936 0.855662 O\n0.023548 0.253064 0.355662 O\n0.976452 0.753064 0.144338 O\n0.976452 0.746936 0.644338 O\n0.103302 0.549873 0.678289 O\n0.103302 0.950127 0.178289 O\n0.896698 0.450127 0.321711 O\n0.896698 0.049873 0.821711 O\n0.000197 0.182535 0.638519 O\n0.000197 0.317465 0.138519 O\n0.999803 0.817465 0.361481 O\n0.999803 0.682535 0.861481 O\n0.123399 0.486831 0.892615 O\n0.123399 0.013169 0.392615 O\n0.876601 0.513169 0.107385 O\n0.876601 0.986831 0.607385 O\n0.317196 0.332209 0.832242 O\n0.317196 0.167791 0.332242 O\n0.682804 0.667791 0.167758 O\n0.682804 0.832209 0.667758 O\n0.808815 0.392386 0.622566 O\n0.808815 0.107614 0.122566 O\n0.191185 0.607614 0.377434 O\n0.191185 0.892386 0.877434 O\n0.068084 0.358203 0.544781 O\n0.068084 0.141797 0.044781 O\n0.931916 0.641797 0.455219 O\n0.931916 0.858203 0.955219 O\n0.244549 0.606590 0.092628 O\n0.244549 0.893410 0.592628 O\n0.755451 0.393410 0.907372 O\n0.755451 0.106590 0.407372 O\n",
"nsites": 88,
"nelements": 6,
"elements": [
"U",
"P",
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-N-O-P-U",
"density": 2.9034819230965585,
"density_atomic": 0.0811440007756856,
"volume": 1084.4917573545222,
"volume_molar": 7.421547745282611,
"formula_full": "U4 P8 H32 C8 N4 O32",
"formula_reduced": "UP2H8C2NO8",
"formula_anonymous": "ABC2D2E8F8",
"energy": -577.3943200799999,
"energy_per_atom": -6.5612990918181815,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -553.96632008,
"band_gap": 0.0402,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 4.4954522,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:37.435000Z",
"spacegroup": 14
},
{
"id": "mp-1246218",
"created_at": "2022-09-04T14:39:29.139801Z",
"structure_string": "Na2 Cd2 N2\n1.0\n3.781094 0.000000 0.000000\n-1.890547 3.357398 0.000000\n0.000000 0.000000 8.658866\nNa Cd N\n2 2 2\ndirect\n0.673931 0.347862 0.759247 Na\n0.326069 0.652138 0.259247 Na\n0.000507 0.001015 0.526232 Cd\n0.999493 0.998985 0.026232 Cd\n0.328413 0.656825 0.559160 N\n0.671587 0.343175 0.059160 N\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Na",
"Cd",
"N"
],
"chemical_system": "Cd-N-Na",
"density": 4.514088634568248,
"density_atomic": 0.054584574588305824,
"volume": 109.92116445449842,
"volume_molar": 11.032678747468301,
"formula_full": "Na2 Cd2 N2",
"formula_reduced": "NaCdN",
"formula_anonymous": "ABC",
"energy": -19.96413985,
"energy_per_atom": -3.3273566416666664,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.24213985,
"band_gap": 0.0131999999999998,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0021755,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.938000Z",
"spacegroup": 36
}
]
}