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=-volume_molar&page=12194",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-volume_molar&page=12192",
"results": [
{
"id": "mp-569517",
"created_at": "2022-09-04T14:45:14.517353Z",
"structure_string": "C10\n1.0\n10.394450 -1.260497 0.000000\n10.394450 1.260497 0.000000\n10.241594 0.000000 2.177888\nC\n10\ndirect\n0.574689 0.574689 0.574689 C\n0.841647 0.841647 0.841647 C\n0.108640 0.108640 0.108640 C\n0.024811 0.024811 0.024811 C\n0.891360 0.891360 0.891360 C\n0.975189 0.975189 0.975189 C\n0.425311 0.425311 0.425311 C\n0.374838 0.374838 0.374838 C\n0.158353 0.158353 0.158353 C\n0.625162 0.625162 0.625162 C\n",
"nsites": 10,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 3.4946891234956476,
"density_atomic": 0.17522300799624244,
"volume": 57.07013088266607,
"volume_molar": 3.4368436136703817,
"formula_full": "C10",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -90.82063157,
"energy_per_atom": -9.082063157,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -90.82063157,
"band_gap": 4.5686,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0106046,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:58.217000Z",
"spacegroup": 166
},
{
"id": "mp-616440",
"created_at": "2022-09-04T14:43:59.798818Z",
"structure_string": "C16\n1.0\n1.261626 -2.185200 0.000000\n1.261626 2.185200 0.000000\n0.000000 0.000000 16.559912\nC\n16\ndirect\n0.000000 0.000000 0.953187 C\n0.666667 0.333333 0.297321 C\n0.333333 0.666667 0.797321 C\n0.666667 0.333333 0.202679 C\n0.333333 0.666667 0.077931 C\n0.333333 0.666667 0.328685 C\n0.333333 0.666667 0.422069 C\n0.666667 0.333333 0.671315 C\n0.333333 0.666667 0.702679 C\n0.000000 0.000000 0.453187 C\n0.000000 0.000000 0.046813 C\n0.333333 0.666667 0.171315 C\n0.666667 0.333333 0.828685 C\n0.000000 0.000000 0.546813 C\n0.666667 0.333333 0.577931 C\n0.666667 0.333333 0.922069 C\n",
"nsites": 16,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 3.4948420856278513,
"density_atomic": 0.17523067748670842,
"volume": 91.30821286252021,
"volume_molar": 3.43669319001337,
"formula_full": "C16",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -145.36998162,
"energy_per_atom": -9.08562385125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -145.36998162,
"band_gap": 4.3668,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001867,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:12.412000Z",
"spacegroup": 194
},
{
"id": "mp-66",
"created_at": "2022-09-04T14:40:21.558049Z",
"structure_string": "C2\n1.0\n0.000000 1.786855 1.786855\n1.786855 0.000000 1.786855\n1.786855 1.786855 0.000000\nC\n2\ndirect\n0.250000 0.250000 0.250000 C\n0.000000 0.000000 0.000000 C\n",
"nsites": 2,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 3.4958233725910053,
"density_atomic": 0.175279879017178,
"volume": 11.410322800393955,
"volume_molar": 3.4357285010504888,
"formula_full": "C2",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -18.18073633,
"energy_per_atom": -9.090368165,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.18073633,
"band_gap": 4.1145,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005442,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:52.938000Z",
"spacegroup": 227
},
{
"id": "mp-644330",
"created_at": "2022-09-04T14:43:53.669434Z",
"structure_string": "H16 C6 N4 O2\n1.0\n0.000000 6.479762 7.195881\n1.703916 0.000000 7.195881\n1.703916 6.479762 0.000000\nH C N O\n16 6 4 2\ndirect\n0.259025 0.589808 0.031201 H\n0.119966 0.031201 0.589808 H\n0.218799 0.130034 0.990975 H\n0.660192 0.990975 0.130034 H\n0.675511 0.064343 0.865157 H\n0.394990 0.865157 0.064343 H\n0.384843 0.855010 0.574489 H\n0.185657 0.574489 0.855010 H\n0.584963 0.078679 0.703252 H\n0.633106 0.703252 0.078679 H\n0.546748 0.616894 0.665037 H\n0.171321 0.665037 0.616894 H\n0.665019 0.371594 0.914035 H\n0.049352 0.914035 0.371594 H\n0.335965 0.200648 0.584981 H\n0.878406 0.584981 0.200648 H\n0.677272 0.322728 0.322728 C\n0.927272 0.572728 0.572728 C\n0.823159 0.867924 0.612267 C\n0.696651 0.612267 0.867924 C\n0.637733 0.553349 0.426841 C\n0.382076 0.426841 0.553349 C\n0.166685 0.679703 0.256913 N\n0.896700 0.256913 0.679703 N\n0.993087 0.353300 0.083315 N\n0.570297 0.083315 0.353300 N\n0.027233 0.972767 0.972767 O\n0.277233 0.222767 0.222767 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-N-O",
"density": 1.8415151768839373,
"density_atomic": 0.1762125464851748,
"volume": 158.89901461900564,
"volume_molar": 3.4175436880748205,
"formula_full": "H16 C6 N4 O2",
"formula_reduced": "H8C3N2O",
"formula_anonymous": "AB2C3D8",
"energy": -157.93536121999998,
"energy_per_atom": -5.640548614999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -152.25336122,
"band_gap": 1.686,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:23.411000Z",
"spacegroup": 43
},
{
"id": "mp-1095646",
"created_at": "2022-09-04T14:43:53.236231Z",
"structure_string": "H10 W2\n1.0\n3.073748 0.000000 0.000000\n0.000000 3.591207 0.000000\n0.000000 0.000000 6.141878\nH W\n10 2\ndirect\n0.448500 0.295137 0.603667 H\n0.448500 0.704863 0.396333 H\n0.448500 0.295137 0.896333 H\n0.448500 0.704863 0.103667 H\n0.956473 0.726834 0.572899 H\n0.956473 0.273166 0.427101 H\n0.956473 0.726834 0.927101 H\n0.956473 0.273166 0.072899 H\n0.437748 0.836940 0.750000 H\n0.437748 0.163060 0.250000 H\n0.980814 0.133452 0.750000 W\n0.980814 0.866548 0.250000 W\n",
"nsites": 12,
"nelements": 2,
"elements": [
"H",
"W"
],
"chemical_system": "H-W",
"density": 9.252401999529013,
"density_atomic": 0.17699922404109458,
"volume": 67.79690738764998,
"volume_molar": 3.402354328175934,
"formula_full": "H10 W2",
"formula_reduced": "H5W",
"formula_anonymous": "AB5",
"energy": -57.42754354,
"energy_per_atom": -4.785628628333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -55.63754354,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.49e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:19.820000Z",
"spacegroup": 28
},
{
"id": "mp-24",
"created_at": "2022-09-04T14:43:04.661171Z",
"structure_string": "C8\n1.0\n-2.238470 2.238470 2.238470\n2.238470 -2.238470 2.238470\n2.238470 2.238470 -2.238470\nC\n8\ndirect\n0.500000 0.000000 0.688271 C\n0.688271 0.500000 0.000000 C\n0.000000 0.688271 0.500000 C\n0.811729 0.811729 0.811729 C\n0.500000 0.000000 0.311729 C\n0.311729 0.500000 0.000000 C\n0.000000 0.311729 0.500000 C\n0.188271 0.188271 0.188271 C\n",
"nsites": 8,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 3.5562605942940047,
"density_atomic": 0.17831018912703478,
"volume": 44.86563577306569,
"volume_molar": 3.3773396739036623,
"formula_full": "C8",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -67.14952989,
"energy_per_atom": -8.39369123625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.14952989,
"band_gap": 2.407,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:57.552000Z",
"spacegroup": 206
},
{
"id": "mp-864958",
"created_at": "2022-09-04T14:39:28.066931Z",
"structure_string": "Fe4 C8 Cl4 O18\n1.0\n0.000000 8.964850 11.940506\n0.890435 0.000000 11.940506\n0.890435 8.964850 0.000000\nFe C Cl O\n4 8 4 18\ndirect\n0.181597 0.958588 0.817423 Fe\n0.042392 0.817423 0.958588 Fe\n0.432577 0.207608 0.068403 Fe\n0.291412 0.068403 0.207608 Fe\n0.996348 0.153759 0.704110 C\n0.145783 0.704110 0.153759 C\n0.545890 0.104217 0.253652 C\n0.096241 0.253652 0.104217 C\n0.028181 0.225379 0.741497 C\n0.004943 0.741497 0.225379 C\n0.508503 0.245057 0.221819 C\n0.024621 0.221819 0.245057 C\n0.057510 0.898794 0.579606 Cl\n0.464091 0.579606 0.898794 Cl\n0.670394 0.785909 0.192490 Cl\n0.351206 0.192490 0.785909 Cl\n0.186115 0.087497 0.741981 O\n0.984407 0.741981 0.087497 O\n0.508019 0.265593 0.063885 O\n0.162503 0.063885 0.265593 O\n0.429013 0.703419 0.160454 O\n0.707114 0.160454 0.703419 O\n0.089546 0.542886 0.820987 O\n0.546581 0.820987 0.542886 O\n0.933769 0.404116 0.741114 O\n0.921001 0.741114 0.404116 O\n0.508886 0.328999 0.316231 O\n0.845884 0.316231 0.328999 O\n0.071644 0.007112 0.758255 O\n0.162989 0.758255 0.007112 O\n0.491745 0.087011 0.178356 O\n0.242888 0.178356 0.087011 O\n0.155604 0.844396 0.844396 O\n0.405604 0.094396 0.094396 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
"Fe",
"C",
"Cl",
"O"
],
"chemical_system": "C-Cl-Fe-O",
"density": 6.526609224095355,
"density_atomic": 0.17835321426017753,
"volume": 190.63295349643425,
"volume_molar": 3.376524939559004,
"formula_full": "Fe4 C8 Cl4 O18",
"formula_reduced": "Fe2C4Cl2O9",
"formula_anonymous": "A2B2C4D9",
"energy": -126.16815734000002,
"energy_per_atom": -3.710828157058824,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -102.32215734,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002134,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:32.124000Z",
"spacegroup": 43
},
{
"id": "mp-998866",
"created_at": "2022-09-04T14:41:03.656770Z",
"structure_string": "C1\n1.0\n1.776060 0.000000 0.000000\n0.000000 1.776060 0.000000\n0.000000 0.000000 1.776060\nC\n1\ndirect\n0.000000 0.000000 0.000000 C\n",
"nsites": 1,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 3.5599550713415904,
"density_atomic": 0.1784954294612604,
"volume": 5.602384346861016,
"volume_molar": 3.3738347128417705,
"formula_full": "C1",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -6.47199271,
"energy_per_atom": -6.47199271,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.47199271,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010241,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:11.269000Z",
"spacegroup": 221
},
{
"id": "mp-563",
"created_at": "2022-09-04T14:44:56.223572Z",
"structure_string": "C6 N8\n1.0\n0.000000 3.391248 3.391248\n3.391248 0.000000 3.391248\n3.391248 3.391248 0.000000\nC N\n6 8\ndirect\n0.000000 0.000000 0.000000 C\n0.250000 0.250000 0.250000 C\n0.625000 0.125000 0.625000 C\n0.625000 0.625000 0.125000 C\n0.125000 0.625000 0.625000 C\n0.625000 0.625000 0.625000 C\n0.869142 0.392574 0.869142 N\n0.380858 0.380858 0.857426 N\n0.857426 0.380858 0.380858 N\n0.380858 0.380858 0.380858 N\n0.392574 0.869142 0.869142 N\n0.869142 0.869142 0.869142 N\n0.869142 0.869142 0.392574 N\n0.380858 0.857426 0.380858 N\n",
"nsites": 14,
"nelements": 2,
"elements": [
"C",
"N"
],
"chemical_system": "C-N",
"density": 3.919550161284183,
"density_atomic": 0.17948137504036854,
"volume": 78.00252252831889,
"volume_molar": 3.3553012164329106,
"formula_full": "C6 N8",
"formula_reduced": "C3N4",
"formula_anonymous": "A3B4",
"energy": -100.89763803,
"energy_per_atom": -7.206974144999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -98.00963803,
"band_gap": 0.873800000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004373,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:42.853000Z",
"spacegroup": 227
},
{
"id": "mp-1102232",
"created_at": "2022-09-04T14:41:30.736394Z",
"structure_string": "H4 C4 N4\n1.0\n4.027221 0.000000 0.000000\n0.000000 4.027221 0.000000\n0.000000 0.000000 4.027221\nH C N\n4 4 4\ndirect\n0.082260 0.582260 0.917740 H\n0.582260 0.917740 0.082260 H\n0.917740 0.082260 0.582260 H\n0.417740 0.417740 0.417740 H\n0.925209 0.425209 0.074791 C\n0.425209 0.074791 0.925209 C\n0.074791 0.925209 0.425209 C\n0.574791 0.574791 0.574791 C\n0.388173 0.888173 0.611827 N\n0.888173 0.611827 0.388173 N\n0.611827 0.388173 0.888173 N\n0.111827 0.111827 0.111827 N\n",
"nsites": 12,
"nelements": 3,
"elements": [
"H",
"C",
"N"
],
"chemical_system": "C-H-N",
"density": 2.7482982839372436,
"density_atomic": 0.18372356227957995,
"volume": 65.3155199643859,
"volume_molar": 3.2778271253176836,
"formula_full": "H4 C4 N4",
"formula_reduced": "HCN",
"formula_anonymous": "ABC",
"energy": -82.46050892000001,
"energy_per_atom": -6.871709076666668,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -81.01650892,
"band_gap": 3.6401,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012936,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:25.302000Z",
"spacegroup": 198
},
{
"id": "mp-644118",
"created_at": "2022-09-04T14:46:21.564837Z",
"structure_string": "H20 N8 Cl4\n1.0\n0.000000 8.802307 10.651083\n0.911301 0.000000 10.651083\n0.911301 8.802307 0.000000\nH N Cl\n20 8 4\ndirect\n0.549441 0.882061 0.229952 H\n0.338546 0.229952 0.882061 H\n0.367939 0.700559 0.911454 H\n0.020048 0.911454 0.700559 H\n0.761830 0.766308 0.930319 H\n0.541544 0.930319 0.766307 H\n0.483692 0.488170 0.708456 H\n0.319681 0.708456 0.488170 H\n0.914948 0.679987 0.004137 H\n0.400928 0.004137 0.679987 H\n0.570013 0.335052 0.849072 H\n0.245863 0.849072 0.335052 H\n0.916068 0.812710 0.895894 H\n0.375328 0.895894 0.812710 H\n0.437290 0.333932 0.874672 H\n0.354106 0.874672 0.333932 H\n0.365791 0.346189 0.766040 H\n0.521980 0.766040 0.346189 H\n0.903811 0.884209 0.728020 H\n0.483960 0.728020 0.884209 H\n0.570719 0.814317 0.316956 N\n0.298008 0.316956 0.814317 N\n0.435683 0.679281 0.951992 N\n0.933044 0.951992 0.679281 N\n0.863625 0.766323 0.939853 N\n0.430199 0.939853 0.766323 N\n0.483677 0.386375 0.819801 N\n0.310147 0.819801 0.386375 N\n0.663289 0.201721 0.313834 Cl\n0.821156 0.313834 0.201721 Cl\n0.048279 0.586711 0.428844 Cl\n0.936166 0.428844 0.586711 Cl\n",
"nsites": 32,
"nelements": 3,
"elements": [
"H",
"N",
"Cl"
],
"chemical_system": "Cl-H-N",
"density": 2.6629082918479634,
"density_atomic": 0.1872698468606029,
"volume": 170.87641463080638,
"volume_molar": 3.2157556920963737,
"formula_full": "H20 N8 Cl4",
"formula_reduced": "H5N2Cl",
"formula_anonymous": "AB2C5",
"energy": -119.03565327,
"energy_per_atom": -3.7198641646875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -113.69165327,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:23.226000Z",
"spacegroup": 43
},
{
"id": "mp-677260",
"created_at": "2022-09-04T14:44:58.748086Z",
"structure_string": "Na2 Co6 O12\n1.0\n4.878589 0.000000 4.878590\n2.439295 1.991676 2.439295\n-3.809753 0.000000 7.062147\nNa Co O\n2 6 12\ndirect\n0.085021 0.333333 0.744936 Na\n0.748312 0.333333 0.755064 Na\n0.990381 0.939556 0.070264 Co\n0.236730 0.939556 0.429736 Co\n0.342751 0.980963 0.070264 Co\n0.596604 0.079481 0.070264 Co\n0.490582 0.079481 0.429736 Co\n0.842952 0.980963 0.429736 Co\n0.945688 0.333333 0.162937 O\n0.586769 0.333333 0.239693 O\n0.752428 0.557855 0.926313 O\n0.856384 0.557855 0.573687 O\n0.443097 0.333333 0.670710 O\n0.390236 0.333333 0.829290 O\n0.976950 0.700692 0.926313 O\n0.080905 0.741454 0.573687 O\n0.246564 0.333333 0.260307 O\n0.887646 0.333333 0.337063 O\n0.344309 0.741454 0.926313 O\n0.489024 0.700692 0.573687 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Na",
"Co",
"O"
],
"chemical_system": "Co-Na-O",
"density": 9.29903632231277,
"density_atomic": 0.1893265814000671,
"volume": 105.63757002371412,
"volume_molar": 3.1808215811358154,
"formula_full": "Na2 Co6 O12",
"formula_reduced": "Na(CoO2)3",
"formula_anonymous": "AB3C6",
"energy": -64.45734567,
"energy_per_atom": -3.2228672835,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -52.69734567,
"band_gap": 0.192400000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003885,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:46.669000Z",
"spacegroup": 155
}
]
}