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_theoretical&page=12193",
"results": [
{
"id": "mp-28649",
"created_at": "2022-09-04T14:42:44.175006Z",
"structure_string": "Na1 Ti8 O13\n1.0\n5.205240 -3.887334 0.000000\n5.205240 3.887334 0.000000\n2.302134 0.000000 6.075036\nNa Ti O\n1 8 13\ndirect\n0.500000 0.500000 0.500000 Na\n0.683537 0.124711 0.949038 Ti\n0.949038 0.683537 0.124711 Ti\n0.124711 0.949038 0.683537 Ti\n0.316463 0.875289 0.050962 Ti\n0.050962 0.316463 0.875289 Ti\n0.875289 0.050962 0.316463 Ti\n0.271335 0.271335 0.271335 Ti\n0.728665 0.728665 0.728665 Ti\n0.000000 0.000000 0.000000 O\n0.177481 0.264896 0.578639 O\n0.578639 0.177481 0.264896 O\n0.264896 0.578639 0.177481 O\n0.822519 0.735104 0.421361 O\n0.421361 0.822519 0.735104 O\n0.735104 0.421361 0.822519 O\n0.356945 0.205918 0.952127 O\n0.952127 0.356945 0.205918 O\n0.205918 0.952127 0.356945 O\n0.643055 0.794082 0.047873 O\n0.047873 0.643055 0.794082 O\n0.794082 0.047873 0.643055 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Na",
"Ti",
"O"
],
"chemical_system": "Na-O-Ti",
"density": 4.146560209779147,
"density_atomic": 0.08948520018113426,
"volume": 245.85071001090697,
"volume_molar": 6.729761734689196,
"formula_full": "Na1 Ti8 O13",
"formula_reduced": "NaTi8O13",
"formula_anonymous": "AB8C13",
"energy": -200.23079501,
"energy_per_atom": -9.101399773181818,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -191.29979501,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.9674157,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:59.047000Z",
"spacegroup": 148
},
{
"id": "mp-18711",
"created_at": "2022-09-04T14:42:42.981380Z",
"structure_string": "Li2 Nd2 P8 O24\n1.0\n3.588031 8.348313 0.000000\n-3.588031 8.348313 0.000000\n0.000000 5.886847 7.979631\nLi Nd P O\n2 2 8 24\ndirect\n0.703265 0.296735 0.750000 Li\n0.296735 0.703265 0.250000 Li\n0.201924 0.798076 0.750000 Nd\n0.798075 0.201924 0.250000 Nd\n0.991952 0.303185 0.801936 P\n0.696815 0.008048 0.698064 P\n0.008048 0.696815 0.198064 P\n0.303185 0.991952 0.301936 P\n0.583950 0.692940 0.885974 P\n0.307060 0.416050 0.614026 P\n0.416050 0.307060 0.114026 P\n0.692940 0.583950 0.385974 P\n0.780297 0.536964 0.769532 O\n0.463036 0.219703 0.730468 O\n0.219703 0.463036 0.230468 O\n0.536964 0.780297 0.269532 O\n0.659861 0.829441 0.852194 O\n0.170559 0.340139 0.647806 O\n0.340139 0.170559 0.147806 O\n0.829441 0.659861 0.352194 O\n0.573581 0.561718 0.569920 O\n0.438282 0.426419 0.930080 O\n0.426419 0.438282 0.430080 O\n0.561718 0.573581 0.069920 O\n0.827387 0.399014 0.319982 O\n0.600986 0.172613 0.180018 O\n0.172613 0.600986 0.680018 O\n0.399014 0.827387 0.819982 O\n0.240864 0.013916 0.467416 O\n0.986084 0.759136 0.032584 O\n0.759136 0.986084 0.532584 O\n0.013916 0.240864 0.967416 O\n0.168944 0.980618 0.268260 O\n0.019382 0.831056 0.231740 O\n0.831056 0.019382 0.731740 O\n0.980618 0.168944 0.768260 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Li",
"Nd",
"P",
"O"
],
"chemical_system": "Li-Nd-O-P",
"density": 3.2448463755034975,
"density_atomic": 0.0753069027427279,
"volume": 478.04382717726867,
"volume_molar": 7.9967978241961815,
"formula_full": "Li2 Nd2 P8 O24",
"formula_reduced": "LiNd(PO3)4",
"formula_anonymous": "ABC4D12",
"energy": -280.75745821,
"energy_per_atom": -7.79881828361111,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -264.26945821,
"band_gap": 5.9792000000000005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0025216,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:52.527000Z",
"spacegroup": 15
},
{
"id": "mp-160",
"created_at": "2022-09-04T14:42:45.224810Z",
"structure_string": "B12\n1.0\n4.416315 -2.449989 0.000000\n4.416315 2.449989 0.000000\n3.057163 0.000000 4.019955\nB\n12\ndirect\n0.654034 0.010308 0.010308 B\n0.010308 0.010308 0.654034 B\n0.010308 0.654034 0.010308 B\n0.989692 0.345966 0.989692 B\n0.345966 0.989692 0.989692 B\n0.989692 0.989692 0.345966 B\n0.630458 0.221130 0.221130 B\n0.221130 0.221130 0.630458 B\n0.221130 0.630458 0.221130 B\n0.778870 0.369542 0.778870 B\n0.369542 0.778870 0.778870 B\n0.778870 0.778870 0.369542 B\n",
"nsites": 12,
"nelements": 1,
"elements": [
"B"
],
"chemical_system": "B",
"density": 2.476400292715375,
"density_atomic": 0.13794497406336956,
"volume": 86.99120849801606,
"volume_molar": 4.365610853813008,
"formula_full": "B12",
"formula_reduced": "B",
"formula_anonymous": "A",
"energy": -80.15270125,
"energy_per_atom": -6.679391770833334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -80.15270125,
"band_gap": 1.4333999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002856,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:59.369000Z",
"spacegroup": 166
},
{
"id": "mp-6504",
"created_at": "2022-09-04T14:42:41.496052Z",
"structure_string": "Ba1 Mg1 C2 O6\n1.0\n5.836188 -2.545522 0.000000\n5.836188 2.545522 0.000000\n4.725928 0.000000 4.266892\nBa Mg C O\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Mg\n0.760003 0.760003 0.760003 C\n0.239997 0.239997 0.239997 C\n0.610819 0.051572 0.610819 O\n0.051572 0.610819 0.610819 O\n0.389181 0.389181 0.948428 O\n0.389181 0.948428 0.389181 O\n0.948428 0.389181 0.389181 O\n0.610819 0.610819 0.051572 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Mg",
"C",
"O"
],
"chemical_system": "Ba-C-Mg-O",
"density": 3.689017966422611,
"density_atomic": 0.07887733443319758,
"volume": 126.77913207715142,
"volume_molar": 7.63481778799237,
"formula_full": "Ba1 Mg1 C2 O6",
"formula_reduced": "BaMg(CO3)2",
"formula_anonymous": "ABC2D6",
"energy": -77.27174939,
"energy_per_atom": -7.727174938999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -73.14974939,
"band_gap": 4.0848,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013049,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:49.709000Z",
"spacegroup": 166
},
{
"id": "mp-1101806",
"created_at": "2022-09-04T14:42:41.550853Z",
"structure_string": "Sr6 Co4 Cl4 O8\n1.0\n-4.061948 4.061936 -0.001063\n-4.062119 -4.062107 0.000061\n-2.029537 2.029356 11.266681\nSr Co Cl O\n6 4 4 8\ndirect\n0.500289 0.500028 0.000004 Sr\n0.999701 0.999972 0.999994 Sr\n0.148910 0.999990 0.701749 Sr\n0.649153 0.500022 0.701747 Sr\n0.351090 0.500009 0.298248 Sr\n0.850822 0.999978 0.298250 Sr\n0.419424 0.000017 0.160988 Co\n0.080555 0.499991 0.839012 Co\n0.919798 0.499976 0.160987 Co\n0.580208 0.000022 0.839012 Co\n0.300395 0.000000 0.399334 Cl\n0.800214 0.500017 0.399363 Cl\n0.199630 0.500003 0.600654 Cl\n0.699791 0.999984 0.600646 Cl\n0.827723 0.250223 0.845082 O\n0.327194 0.749798 0.845242 O\n0.327192 0.250196 0.845264 O\n0.827733 0.749768 0.845062 O\n0.672265 0.249761 0.154923 O\n0.172822 0.750210 0.154759 O\n0.172835 0.249789 0.154740 O\n0.672256 0.750245 0.154943 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Sr",
"Co",
"Cl",
"O"
],
"chemical_system": "Cl-Co-O-Sr",
"density": 4.605587928670804,
"density_atomic": 0.05916849149611516,
"volume": 371.8195181880623,
"volume_molar": 10.177952162926779,
"formula_full": "Sr6 Co4 Cl4 O8",
"formula_reduced": "Sr3Co2(ClO2)2",
"formula_anonymous": "A2B2C3D4",
"energy": -137.51557956,
"energy_per_atom": -6.2507081618181815,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -123.01157956,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0406075,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:05.760000Z",
"spacegroup": 139
},
{
"id": "mp-31002",
"created_at": "2022-09-04T14:42:41.621295Z",
"structure_string": "Rb2 Te5\n1.0\n4.704425 5.848207 0.000000\n-4.704425 5.848207 0.000000\n0.000000 2.784592 5.219541\nRb Te\n2 5\ndirect\n0.315921 0.315921 0.358610 Rb\n0.684079 0.684079 0.641390 Rb\n0.000000 0.000000 0.000000 Te\n0.856913 0.328305 0.235781 Te\n0.671695 0.143087 0.764219 Te\n0.143087 0.671695 0.764219 Te\n0.328305 0.856913 0.235781 Te\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Rb",
"Te"
],
"chemical_system": "Rb-Te",
"density": 4.677043954735576,
"density_atomic": 0.024372857285673608,
"volume": 287.2047342645627,
"volume_molar": 24.70839052399417,
"formula_full": "Rb2 Te5",
"formula_reduced": "Rb2Te5",
"formula_anonymous": "A2B5",
"energy": -23.56499419,
"energy_per_atom": -3.3664277414285713,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.45499419,
"band_gap": 0.2365000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008885,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:48.702000Z",
"spacegroup": 12
},
{
"id": "mp-641945",
"created_at": "2022-09-04T14:42:41.645367Z",
"structure_string": "Tb8 Sb20\n1.0\n4.229754 0.000000 0.000000\n0.000000 13.258321 0.000000\n0.000000 3.105648 14.456390\nTb Sb\n8 20\ndirect\n0.750000 0.338627 0.144744 Tb\n0.250000 0.951851 0.360886 Tb\n0.250000 0.661373 0.855256 Tb\n0.250000 0.670531 0.577397 Tb\n0.750000 0.048149 0.639114 Tb\n0.750000 0.329469 0.422603 Tb\n0.250000 0.392137 0.770689 Tb\n0.750000 0.607863 0.229311 Tb\n0.750000 0.846527 0.826862 Sb\n0.250000 0.862045 0.677658 Sb\n0.250000 0.141055 0.480881 Sb\n0.750000 0.278198 0.938239 Sb\n0.250000 0.140368 0.780106 Sb\n0.750000 0.575294 0.448659 Sb\n0.750000 0.137955 0.322342 Sb\n0.250000 0.714780 0.348276 Sb\n0.750000 0.285220 0.651724 Sb\n0.750000 0.859632 0.219894 Sb\n0.250000 0.418508 0.975767 Sb\n0.250000 0.424706 0.551341 Sb\n0.750000 0.575129 0.734133 Sb\n0.250000 0.424871 0.265867 Sb\n0.750000 0.858945 0.519119 Sb\n0.750000 0.028274 0.905351 Sb\n0.250000 0.721802 0.061761 Sb\n0.250000 0.971726 0.094649 Sb\n0.250000 0.153473 0.173138 Sb\n0.750000 0.581492 0.024233 Sb\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Tb",
"Sb"
],
"chemical_system": "Sb-Tb",
"density": 7.592095310776488,
"density_atomic": 0.03453778931850202,
"volume": 810.7062018876899,
"volume_molar": 17.43638165275945,
"formula_full": "Tb8 Sb20",
"formula_reduced": "Tb2Sb5",
"formula_anonymous": "A2B5",
"energy": -141.71882294,
"energy_per_atom": -5.0613865335714285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -137.87882294,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0076869,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:50.002000Z",
"spacegroup": 11
}
]
}