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=12",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=id&page=10",
"results": [
{
"id": "mp-1002229",
"created_at": "2022-09-04T14:43:55.822421Z",
"structure_string": "Er1 N1\n1.0\n2.964162 0.000000 0.000000\n0.000000 2.964162 0.000000\n0.000000 0.000000 2.964162\nEr N\n1 1\ndirect\n0.000000 0.000000 0.000000 Er\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Er",
"N"
],
"chemical_system": "Er-N",
"density": 11.557367516311183,
"density_atomic": 0.07679345184701777,
"volume": 26.0438872312219,
"volume_molar": 7.841997742199246,
"formula_full": "Er1 N1",
"formula_reduced": "ErN",
"formula_anonymous": "AB",
"energy": -14.90463796,
"energy_per_atom": -7.45231898,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.54363796,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003029,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:27.066000Z",
"spacegroup": 221
},
{
"id": "mp-1002230",
"created_at": "2022-09-04T14:44:24.619184Z",
"structure_string": "Pu1 Bi1\n1.0\n3.870075 0.000000 0.000000\n0.000000 3.870075 0.000000\n0.000000 0.000000 3.870075\nPu Bi\n1 1\ndirect\n0.000000 0.000000 0.000000 Pu\n0.500000 0.500000 0.500000 Bi\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pu",
"Bi"
],
"chemical_system": "Bi-Pu",
"density": 12.976882249247337,
"density_atomic": 0.03450419115613804,
"volume": 57.96397286780667,
"volume_molar": 17.45336018093763,
"formula_full": "Pu1 Bi1",
"formula_reduced": "PuBi",
"formula_anonymous": "AB",
"energy": -18.85157409,
"energy_per_atom": -9.425787045,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.85157409,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.7960759,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:25.929000Z",
"spacegroup": 221
},
{
"id": "mp-1002252",
"created_at": "2022-09-04T14:39:45.882895Z",
"structure_string": "Ca40 H15 N20\n1.0\n7.181309 0.000000 0.000000\n-3.585366 6.224239 0.000000\n-0.021231 -4.131284 29.346225\nCa H N\n40 15 20\ndirect\n0.259133 0.577237 0.053116 Ca\n0.265084 0.308861 0.142458 Ca\n0.715602 0.582159 0.051974 Ca\n0.259421 0.129459 0.052767 Ca\n0.261574 0.981317 0.252325 Ca\n0.735353 0.270539 0.147249 Ca\n0.741049 0.091156 0.057553 Ca\n0.288195 0.822830 0.146896 Ca\n0.263716 0.708873 0.342464 Ca\n0.712319 0.978042 0.252763 Ca\n0.737347 0.817695 0.148036 Ca\n0.263641 0.529469 0.252763 Ca\n0.261601 0.381403 0.452326 Ca\n0.736264 0.670525 0.347256 Ca\n0.736309 0.491137 0.257550 Ca\n0.287685 0.221964 0.347258 Ca\n0.712304 0.378025 0.452749 Ca\n0.263724 0.108879 0.542458 Ca\n0.738385 0.218588 0.347683 Ca\n0.263721 0.929458 0.452753 Ca\n0.261615 0.781412 0.652317 Ca\n0.736279 0.070542 0.547247 Ca\n0.287696 0.621975 0.547251 Ca\n0.736276 0.891121 0.457542 Ca\n0.263691 0.508863 0.742450 Ca\n0.712315 0.778036 0.652742 Ca\n0.738399 0.618597 0.547674 Ca\n0.263736 0.329475 0.652744 Ca\n0.262653 0.182305 0.851964 Ca\n0.736359 0.470531 0.747237 Ca\n0.736284 0.291127 0.657536 Ca\n0.287681 0.021958 0.747237 Ca\n0.258951 0.908844 0.942447 Ca\n0.711805 0.177170 0.853104 Ca\n0.738426 0.018683 0.747675 Ca\n0.264647 0.729461 0.852751 Ca\n0.740579 0.870541 0.947233 Ca\n0.734916 0.691139 0.857542 Ca\n0.284398 0.417841 0.948026 Ca\n0.740867 0.422763 0.946884 Ca\n0.000000 0.000000 0.000000 H\n0.000000 0.500000 0.000000 H\n0.999915 0.900019 0.200000 H\n0.000009 0.300009 0.399996 H\n0.500002 0.400046 0.200001 H\n0.999155 0.700013 0.099994 H\n0.000017 0.100017 0.299991 H\n0.999991 0.699991 0.600004 H\n0.500001 0.800002 0.399996 H\n0.000845 0.299987 0.900006 H\n0.000085 0.099981 0.800000 H\n0.999983 0.899983 0.700009 H\n0.499999 0.199998 0.600004 H\n0.000000 0.500000 0.500000 H\n0.499998 0.599954 0.799999 H\n0.500000 0.500000 0.000000 N\n0.999726 0.199624 0.100143 N\n0.500399 0.200389 0.099842 N\n0.500019 0.100022 0.299988 N\n0.500158 0.900014 0.199993 N\n0.000028 0.600012 0.299990 N\n0.500008 0.600006 0.299991 N\n0.500325 0.700021 0.099990 N\n0.500000 0.500000 0.500000 N\n0.500013 0.300008 0.399993 N\n0.000000 0.000000 0.500000 N\n0.500000 0.000000 0.500000 N\n0.499981 0.899978 0.700012 N\n0.999972 0.399988 0.700010 N\n0.499987 0.699992 0.600007 N\n0.499992 0.399994 0.700009 N\n0.499842 0.099986 0.800007 N\n0.000274 0.800376 0.899857 N\n0.499601 0.799611 0.900158 N\n0.499675 0.299979 0.900010 N\n",
"nsites": 75,
"nelements": 3,
"elements": [
"Ca",
"H",
"N"
],
"chemical_system": "Ca-H-N",
"density": 2.4031924514925938,
"density_atomic": 0.05717670786603755,
"volume": 1311.72295151588,
"volume_molar": 10.532507002868378,
"formula_full": "Ca40 H15 N20",
"formula_reduced": "Ca8H3N4",
"formula_anonymous": "A3B4C8",
"energy": -321.82919128000003,
"energy_per_atom": -4.291055883733334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -314.60919128,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.8220526,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.852000Z",
"spacegroup": 2
},
{
"id": "mp-10023",
"created_at": "2022-09-04T14:45:15.106703Z",
"structure_string": "La1\n1.0\n-2.111814 2.111814 2.111814\n2.111814 -2.111814 2.111814\n2.111814 2.111814 -2.111814\nLa\n1\ndirect\n0.000000 0.000000 0.000000 La\n",
"nsites": 1,
"nelements": 1,
"elements": [
"La"
],
"chemical_system": "La",
"density": 6.122678571967442,
"density_atomic": 0.02654440620759267,
"volume": 37.67272065456727,
"volume_molar": 22.687042659396344,
"formula_full": "La1",
"formula_reduced": "La",
"formula_anonymous": "A",
"energy": -4.80249767,
"energy_per_atom": -4.80249767,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.80249767,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.6083648,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:58.084000Z",
"spacegroup": 229
},
{
"id": "mp-1002346",
"created_at": "2022-09-04T14:42:38.694215Z",
"structure_string": "Sm2 H16 N6 O30\n1.0\n6.806110 0.000000 0.000000\n-3.079446 8.272044 0.000000\n-0.233747 -4.749634 11.050269\nSm H N O\n2 16 6 30\ndirect\n0.205062 0.046875 0.275930 Sm\n0.794938 0.953125 0.724070 Sm\n0.550996 0.396762 0.484737 H\n0.449004 0.603238 0.515263 H\n0.784737 0.509138 0.503566 H\n0.215263 0.490862 0.496434 H\n0.357823 0.773067 0.271748 H\n0.642177 0.226933 0.728252 H\n0.335829 0.031911 0.131010 H\n0.664171 0.968089 0.868990 H\n0.704933 0.142762 0.349891 H\n0.295067 0.857238 0.650109 H\n0.638972 0.092783 0.272363 H\n0.361028 0.907217 0.727637 H\n0.575330 0.477101 0.935904 H\n0.424670 0.522899 0.064096 H\n0.786358 0.504693 0.007297 H\n0.213642 0.495307 0.992703 H\n0.069890 0.476436 0.173484 N\n0.930110 0.523564 0.826516 N\n0.091069 0.833142 0.499519 N\n0.908931 0.166858 0.500481 N\n0.821880 0.895859 0.184963 N\n0.178120 0.104141 0.815037 N\n0.253577 0.415440 0.233924 O\n0.746423 0.584560 0.766076 O\n0.942851 0.343723 0.162322 O\n0.057149 0.656277 0.837678 O\n0.012476 0.657478 0.125661 O\n0.987524 0.342522 0.874339 O\n0.956768 0.827811 0.426521 O\n0.043232 0.172189 0.573479 O\n0.278539 0.928304 0.476814 O\n0.721461 0.071696 0.523186 O\n0.038100 0.748874 0.589180 O\n0.961900 0.251126 0.410820 O\n0.906799 0.748342 0.297493 O\n0.093201 0.251658 0.702507 O\n0.918043 0.107341 0.115568 O\n0.081957 0.892659 0.884432 O\n0.658058 0.839589 0.146526 O\n0.341942 0.160411 0.853474 O\n0.311744 0.638180 0.454831 O\n0.688256 0.361820 0.545169 O\n0.365811 0.947827 0.216279 O\n0.634189 0.052173 0.783721 O\n0.585120 0.122106 0.304812 O\n0.414880 0.877894 0.695188 O\n0.301777 0.410346 0.073180 O\n0.698223 0.589654 0.926820 O\n0.358889 0.492562 0.384804 O\n0.641111 0.507438 0.615196 O\n0.345441 0.262944 0.977942 O\n0.654559 0.737056 0.022058 O\n",
"nsites": 54,
"nelements": 4,
"elements": [
"Sm",
"H",
"N",
"O"
],
"chemical_system": "H-N-O-Sm",
"density": 2.3511259348414213,
"density_atomic": 0.086797878396311,
"volume": 622.1350221654156,
"volume_molar": 6.938119768899728,
"formula_full": "Sm2 H16 N6 O30",
"formula_reduced": "SmH8(NO5)3",
"formula_anonymous": "AB3C8D15",
"energy": -209.58546517,
"energy_per_atom": -3.8812123179629627,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -188.97546517,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.742831,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:51.049000Z",
"spacegroup": 2
},
{
"id": "mp-10024",
"created_at": "2022-09-04T14:40:53.930711Z",
"structure_string": "Ce1\n1.0\n-1.887976 1.887976 1.887976\n1.887976 -1.887976 1.887976\n1.887976 1.887976 -1.887976\nCe\n1\ndirect\n0.000000 0.000000 0.000000 Ce\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ce"
],
"chemical_system": "Ce",
"density": 8.643456071208345,
"density_atomic": 0.037149297105028206,
"volume": 26.918409712377805,
"volume_molar": 16.21064523232903,
"formula_full": "Ce1",
"formula_reduced": "Ce",
"formula_anonymous": "A",
"energy": -5.70483875,
"energy_per_atom": -5.70483875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.70483875,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.2594113,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:00.149000Z",
"spacegroup": 229
},
{
"id": "mp-10025",
"created_at": "2022-09-04T14:46:56.770398Z",
"structure_string": "Si4 Ru8\n1.0\n4.037645 0.000000 0.000000\n0.000000 5.325269 0.000000\n0.000000 0.000000 7.453036\nSi Ru\n4 8\ndirect\n0.250000 0.298336 0.901689 Si\n0.750000 0.701664 0.098311 Si\n0.250000 0.798336 0.598311 Si\n0.750000 0.201664 0.401689 Si\n0.750000 0.513935 0.788461 Ru\n0.250000 0.486065 0.211539 Ru\n0.750000 0.013935 0.711539 Ru\n0.250000 0.986065 0.288461 Ru\n0.250000 0.834011 0.934971 Ru\n0.750000 0.165989 0.065029 Ru\n0.250000 0.334011 0.565029 Ru\n0.750000 0.665989 0.434971 Ru\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Si",
"Ru"
],
"chemical_system": "Ru-Si",
"density": 9.542443826505641,
"density_atomic": 0.07488215676039664,
"volume": 160.2517945416138,
"volume_molar": 8.042157198101648,
"formula_full": "Si4 Ru8",
"formula_reduced": "SiRu2",
"formula_anonymous": "AB2",
"energy": -100.47259565,
"energy_per_atom": -8.372716304166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -100.75659565,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0046546,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:45.791000Z",
"spacegroup": 62
},
{
"id": "mp-1002568",
"created_at": "2022-09-04T14:41:32.606844Z",
"structure_string": "Mg2 Mn4 O8\n1.0\n4.467299 -2.565619 1.721421\n1.483420 2.582863 -5.213456\n2.958866 5.170100 0.001499\nMg Mn O\n2 4 8\ndirect\n0.999917 0.500057 0.999987 Mg\n0.999993 0.499823 0.500100 Mg\n0.999901 0.000025 0.499299 Mn\n0.999950 0.000034 0.000665 Mn\n0.500055 0.000074 0.249910 Mn\n0.500093 0.000078 0.749913 Mn\n0.199019 0.211179 0.144719 O\n0.199799 0.209158 0.645711 O\n0.800246 0.790859 0.854323 O\n0.801020 0.788853 0.355314 O\n0.786579 0.235469 0.382149 O\n0.786591 0.235453 0.881948 O\n0.213400 0.764460 0.618092 O\n0.213409 0.764442 0.117889 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"O"
],
"chemical_system": "Mg-Mn-O",
"density": 4.112036503035952,
"density_atomic": 0.08746795050501557,
"volume": 160.05862626445344,
"volume_molar": 6.8849684086912255,
"formula_full": "Mg2 Mn4 O8",
"formula_reduced": "MgMn2O4",
"formula_anonymous": "AB2C4",
"energy": -111.20899719,
"energy_per_atom": -7.943499799285715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -99.04099719,
"band_gap": 0.5051999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9977781,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:22.434000Z",
"spacegroup": 10
},
{
"id": "mp-1002569",
"created_at": "2022-09-04T14:42:44.765131Z",
"structure_string": "Mg2 Mn2 O4\n1.0\n3.038375 0.000000 0.000000\n0.000000 5.319945 0.000000\n0.000000 0.000000 5.348591\nMg Mn O\n2 2 4\ndirect\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.000000 0.163660 0.265038 O\n0.500000 0.663660 0.234962 O\n0.000000 0.836340 0.734962 O\n0.500000 0.336340 0.765038 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"O"
],
"chemical_system": "Mg-Mn-O",
"density": 4.273260523084813,
"density_atomic": 0.09253415882507578,
"volume": 86.4545601492201,
"volume_molar": 6.508019132031126,
"formula_full": "Mg2 Mn2 O4",
"formula_reduced": "MgMnO2",
"formula_anonymous": "ABC2",
"energy": -60.11875834,
"energy_per_atom": -7.5148447925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -54.03475834,
"band_gap": 0.7773000000000003,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 9.9999213,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:58.878000Z",
"spacegroup": 58
},
{
"id": "mp-1002570",
"created_at": "2022-09-04T14:47:28.860747Z",
"structure_string": "K4 Mn4 O8\n1.0\n-5.726162 0.002821 -1.390515\n0.143647 6.343845 -0.581085\n1.353292 -3.212361 -5.576955\nK Mn O\n4 4 8\ndirect\n0.000070 0.499953 0.499890 K\n0.749901 0.000065 0.499965 K\n0.500062 0.499968 0.499888 K\n0.249901 0.000059 0.499973 K\n0.001113 0.999989 0.000051 Mn\n0.748920 0.500048 0.000141 Mn\n0.248934 0.500085 0.000111 Mn\n0.501083 0.999891 0.000109 Mn\n0.250622 0.180152 0.184543 O\n0.999373 0.680274 0.184621 O\n0.750623 0.180167 0.184548 O\n0.499429 0.680352 0.184632 O\n0.250597 0.819702 0.815340 O\n0.999362 0.319794 0.815490 O\n0.750624 0.819671 0.815259 O\n0.499400 0.319800 0.815434 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"K",
"Mn",
"O"
],
"chemical_system": "K-Mn-O",
"density": 3.706544439040743,
"density_atomic": 0.07084161279875503,
"volume": 225.855953413319,
"volume_molar": 8.50085214336881,
"formula_full": "K4 Mn4 O8",
"formula_reduced": "KMnO2",
"formula_anonymous": "ABC2",
"energy": -111.44529003,
"energy_per_atom": -6.965330626875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -99.27729003,
"band_gap": 1.7098999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:10.439000Z",
"spacegroup": 12
},
{
"id": "mp-1002571",
"created_at": "2022-09-04T14:41:53.743178Z",
"structure_string": "Na1 Mn2 O4\n1.0\n3.015493 0.000000 0.000000\n-0.301840 5.144089 0.000000\n-0.108034 -1.717354 5.603803\nNa Mn O\n1 2 4\ndirect\n0.500000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.474597 0.783901 0.824565 O\n0.035903 0.249020 0.809991 O\n0.964097 0.750980 0.190009 O\n0.525403 0.216099 0.175435 O\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Na",
"Mn",
"O"
],
"chemical_system": "Mn-Na-O",
"density": 3.7606641650412893,
"density_atomic": 0.08052827239008907,
"volume": 86.92599247741366,
"volume_molar": 7.478293748595516,
"formula_full": "Na1 Mn2 O4",
"formula_reduced": "NaMn2O4",
"formula_anonymous": "AB2C4",
"energy": -53.26877630999999,
"energy_per_atom": -7.609825187142856,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.18477631,
"band_gap": 0.2538,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.9997595,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:32.435000Z",
"spacegroup": 2
},
{
"id": "mp-1002572",
"created_at": "2022-09-04T14:46:27.019505Z",
"structure_string": "Li4 Mn4 O8\n1.0\n0.000000 0.001784 -5.147291\n0.000001 -5.215066 -0.001970\n-5.674995 0.000001 -0.000004\nLi Mn O\n4 4 8\ndirect\n0.000006 0.500021 0.250100 Li\n0.000004 0.500021 0.750111 Li\n0.499996 0.999989 0.999887 Li\n0.499996 0.999989 0.499900 Li\n0.500011 0.499999 0.749700 Mn\n0.000013 0.000010 0.000298 Mn\n0.499999 0.500008 0.249665 Mn\n0.000005 0.000001 0.500313 Mn\n0.287916 0.347990 0.998941 O\n0.287915 0.347991 0.498944 O\n0.212078 0.847977 0.251062 O\n0.212076 0.847978 0.751067 O\n0.712080 0.652015 0.998940 O\n0.712081 0.652014 0.498944 O\n0.787913 0.152048 0.251063 O\n0.787916 0.152047 0.751067 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 4.093248672822287,
"density_atomic": 0.10503061582607717,
"volume": 152.33653420155892,
"volume_molar": 5.733700324077137,
"formula_full": "Li4 Mn4 O8",
"formula_reduced": "LiMnO2",
"formula_anonymous": "ABC2",
"energy": -117.74446359,
"energy_per_atom": -7.359028974375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -105.57646359,
"band_gap": 0.5078,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:36.185000Z",
"spacegroup": 58
}
]
}