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=elements&page=91",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=elements&page=89",
"results": [
{
"id": "mp-1065540",
"created_at": "2022-09-04T14:41:07.977753Z",
"structure_string": "Al1 C3\n1.0\n3.207929 0.000000 0.000000\n0.000000 3.207929 0.000000\n0.000000 0.000000 3.207929\nAl C\n1 3\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 C\n0.500000 0.000000 0.500000 C\n0.500000 0.500000 0.000000 C\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Al",
"C"
],
"chemical_system": "Al-C",
"density": 3.1696361574580036,
"density_atomic": 0.12116738870428614,
"volume": 33.012182921282225,
"volume_molar": 4.970100308670739,
"formula_full": "Al1 C3",
"formula_reduced": "AlC3",
"formula_anonymous": "AB3",
"energy": -20.59392042,
"energy_per_atom": -5.148480105,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.59392042,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003133,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:19.250000Z",
"spacegroup": 221
},
{
"id": "mp-632442",
"created_at": "2022-09-04T14:40:41.693788Z",
"structure_string": "Al4 C3\n1.0\n-3.192403 0.000000 0.000000\n1.169933 4.919186 0.000000\n-0.327215 -2.274162 -5.076284\nAl C\n4 3\ndirect\n0.040254 0.174355 0.759888 Al\n0.634794 0.205396 0.207611 Al\n0.258290 0.661041 0.685017 Al\n0.946555 0.748126 0.226721 Al\n0.076519 0.981998 0.002583 C\n0.618102 0.343807 0.615125 C\n0.497067 0.953213 0.482261 C\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Al",
"C"
],
"chemical_system": "Al-C",
"density": 2.998670890049211,
"density_atomic": 0.08780943331111972,
"volume": 79.71808649758769,
"volume_molar": 6.858193400090407,
"formula_full": "Al4 C3",
"formula_reduced": "Al4C3",
"formula_anonymous": "A3B4",
"energy": -40.45820019,
"energy_per_atom": -5.779742884285715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.45820019,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.3e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:03.483000Z",
"spacegroup": 1
},
{
"id": "mp-1214819",
"created_at": "2022-09-04T14:45:15.898108Z",
"structure_string": "Al1 C6\n1.0\n5.351627 0.000000 0.000000\n0.000000 5.351627 0.000000\n0.000000 0.000000 5.351627\nAl C\n1 6\ndirect\n0.000000 0.000000 0.000000 Al\n0.380466 0.000000 0.000000 C\n0.619534 0.000000 0.000000 C\n0.000000 0.380466 0.000000 C\n0.000000 0.619534 0.000000 C\n0.000000 0.000000 0.380466 C\n0.000000 0.000000 0.619534 C\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Al",
"C"
],
"chemical_system": "Al-C",
"density": 1.073068345783191,
"density_atomic": 0.045671001114104895,
"volume": 153.2701239132273,
"volume_molar": 13.185918007258529,
"formula_full": "Al1 C6",
"formula_reduced": "AlC6",
"formula_anonymous": "AB6",
"energy": -45.25749634,
"energy_per_atom": -6.4653566200000006,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.25749634,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0000718,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:57.154000Z",
"spacegroup": 221
},
{
"id": "mp-743752",
"created_at": "2022-09-04T14:41:47.971498Z",
"structure_string": "Al4 C3\n1.0\n4.489516 0.000000 0.000000\n-2.208615 3.956015 0.000000\n-1.863738 -1.117337 4.535775\nAl C\n4 3\ndirect\n0.071456 0.456979 0.965673 Al\n0.208073 0.035060 0.654481 Al\n0.627765 0.233533 0.287017 Al\n0.523284 0.695376 0.634037 Al\n0.052807 0.917659 0.991263 C\n0.641704 0.708781 0.281195 C\n0.923584 0.002881 0.203220 C\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Al",
"C"
],
"chemical_system": "Al-C",
"density": 2.967404241171015,
"density_atomic": 0.08689385877153191,
"volume": 80.55805207598092,
"volume_molar": 6.930456127899535,
"formula_full": "Al4 C3",
"formula_reduced": "Al4C3",
"formula_anonymous": "A3B4",
"energy": -39.2099656,
"energy_per_atom": -5.601423657142857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.2099656,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.84e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:25.347000Z",
"spacegroup": 1
},
{
"id": "mp-1183140",
"created_at": "2022-09-04T14:41:04.615244Z",
"structure_string": "Al3 Cd1\n1.0\n4.201756 0.000000 0.000000\n0.000000 4.201756 0.000000\n0.000000 0.000000 4.201756\nAl Cd\n3 1\ndirect\n0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Al",
"Cd"
],
"chemical_system": "Al-Cd",
"density": 4.328260596477741,
"density_atomic": 0.05392218779705732,
"volume": 74.18096637796828,
"volume_molar": 11.168205531023808,
"formula_full": "Al3 Cd1",
"formula_reduced": "Al3Cd",
"formula_anonymous": "AB3",
"energy": -11.6123163,
"energy_per_atom": -2.903079075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.6123163,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008889,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.534000Z",
"spacegroup": 221
},
{
"id": "mp-1183215",
"created_at": "2022-09-04T14:40:16.982442Z",
"structure_string": "Al1 Cd3\n1.0\n-2.193786 2.193786 4.465218\n2.193786 -2.193786 4.465218\n2.193786 2.193786 -4.465218\nAl Cd\n1 3\ndirect\n0.000000 0.000000 0.000000 Al\n0.750000 0.250000 0.500000 Cd\n0.250000 0.750000 0.500000 Cd\n0.500000 0.500000 0.000000 Cd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Al",
"Cd"
],
"chemical_system": "Al-Cd",
"density": 7.035827706738082,
"density_atomic": 0.04653383139574335,
"volume": 85.95896533819257,
"volume_molar": 12.941424721263918,
"formula_full": "Al1 Cd3",
"formula_reduced": "AlCd3",
"formula_anonymous": "AB3",
"energy": -6.05296002,
"energy_per_atom": -1.513240005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.05296002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014003,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.822000Z",
"spacegroup": 139
},
{
"id": "mp-25470",
"created_at": "2022-09-04T14:40:58.352197Z",
"structure_string": "Al1 Cl3\n1.0\n1.832331 -3.173690 0.000000\n1.832331 3.173690 0.000000\n0.000000 0.000000 7.072989\nAl Cl\n1 3\ndirect\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Cl\n0.333333 0.666667 0.323095 Cl\n0.666667 0.333333 0.676905 Cl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Al",
"Cl"
],
"chemical_system": "Al-Cl",
"density": 2.691596107270746,
"density_atomic": 0.04862488423353057,
"volume": 82.26240664737037,
"volume_molar": 12.384894802170601,
"formula_full": "Al1 Cl3",
"formula_reduced": "AlCl3",
"formula_anonymous": "AB3",
"energy": -13.51732673,
"energy_per_atom": -3.3793316825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.67532673,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0037895,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:09.561000Z",
"spacegroup": 164
},
{
"id": "mp-25469",
"created_at": "2022-09-04T14:41:10.075182Z",
"structure_string": "Al2 Cl6\n1.0\n5.216302 3.013440 0.000000\n-5.216302 3.013440 0.000000\n0.000000 1.957904 6.358629\nAl Cl\n2 6\ndirect\n0.833383 0.166617 0.000000 Al\n0.166617 0.833383 0.000000 Al\n0.204527 0.204527 0.788733 Cl\n0.795473 0.795473 0.211267 Cl\n0.068497 0.431680 0.210368 Cl\n0.568320 0.931503 0.789632 Cl\n0.931503 0.568320 0.789632 Cl\n0.431680 0.068497 0.210368 Cl\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Al",
"Cl"
],
"chemical_system": "Al-Cl",
"density": 2.2152489543245237,
"density_atomic": 0.0400194604463531,
"volume": 199.90274508383646,
"volume_molar": 15.048030865065764,
"formula_full": "Al2 Cl6",
"formula_reduced": "AlCl3",
"formula_anonymous": "AB3",
"energy": -34.30886611,
"energy_per_atom": -4.28860826375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.62486611,
"band_gap": 5.263,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:17.611000Z",
"spacegroup": 12
},
{
"id": "mp-30751",
"created_at": "2022-09-04T14:43:19.959223Z",
"structure_string": "Al78 Co24\n1.0\n8.202240 0.000000 0.000000\n0.000000 12.388164 0.000000\n0.000000 0.000000 14.443812\nAl Co\n78 24\ndirect\n0.000000 0.755440 0.403720 Al\n0.500000 0.744560 0.903720 Al\n0.000000 0.850560 0.564952 Al\n0.500000 0.649440 0.064952 Al\n0.000000 0.656134 0.209816 Al\n0.500000 0.843866 0.709816 Al\n0.000000 0.659830 0.024959 Al\n0.500000 0.840170 0.524959 Al\n0.000000 0.885762 0.256210 Al\n0.500000 0.614238 0.756210 Al\n0.000000 0.570662 0.739165 Al\n0.500000 0.929338 0.239165 Al\n0.000000 0.554241 0.421610 Al\n0.500000 0.945759 0.921610 Al\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.000000 0.149440 0.435048 Al\n0.500000 0.350560 0.935048 Al\n0.000000 0.114238 0.743790 Al\n0.500000 0.385762 0.243790 Al\n0.000000 0.429338 0.260835 Al\n0.500000 0.070662 0.760835 Al\n0.000000 0.340170 0.975041 Al\n0.500000 0.159830 0.475041 Al\n0.000000 0.244560 0.596280 Al\n0.500000 0.255440 0.096280 Al\n0.000000 0.343866 0.790184 Al\n0.500000 0.156134 0.290184 Al\n0.000000 0.445759 0.578390 Al\n0.500000 0.054241 0.078390 Al\n0.000000 0.847930 0.829349 Al\n0.500000 0.652070 0.329349 Al\n0.000000 0.152070 0.170651 Al\n0.500000 0.347930 0.670651 Al\n0.221621 0.955183 0.683504 Al\n0.278379 0.544817 0.183504 Al\n0.778379 0.955183 0.683504 Al\n0.721621 0.544817 0.183504 Al\n0.209735 0.658572 0.868216 Al\n0.290265 0.841428 0.368216 Al\n0.790265 0.658572 0.868216 Al\n0.709735 0.841428 0.368216 Al\n0.231503 0.829168 0.992018 Al\n0.268497 0.670832 0.492018 Al\n0.768497 0.829168 0.992018 Al\n0.731503 0.670832 0.492018 Al\n0.250784 0.000000 0.500000 Al\n0.249216 0.500000 0.000000 Al\n0.749216 0.000000 0.500000 Al\n0.750784 0.500000 0.000000 Al\n0.219761 0.734313 0.679062 Al\n0.280239 0.765687 0.179062 Al\n0.780239 0.734313 0.679062 Al\n0.719761 0.765687 0.179062 Al\n0.220783 0.971360 0.134176 Al\n0.279217 0.528640 0.634176 Al\n0.779217 0.971360 0.134176 Al\n0.720783 0.528640 0.634176 Al\n0.209735 0.341428 0.131784 Al\n0.290265 0.158572 0.631784 Al\n0.790265 0.341428 0.131784 Al\n0.709735 0.158572 0.631784 Al\n0.221621 0.044817 0.316496 Al\n0.278379 0.455183 0.816496 Al\n0.778379 0.044817 0.316496 Al\n0.721621 0.455183 0.816496 Al\n0.231503 0.170832 0.007982 Al\n0.268497 0.329168 0.507982 Al\n0.768497 0.170832 0.007982 Al\n0.731503 0.329168 0.507982 Al\n0.219761 0.265687 0.320938 Al\n0.280239 0.234313 0.820938 Al\n0.780239 0.265687 0.320938 Al\n0.719761 0.234313 0.820938 Al\n0.220783 0.028640 0.865824 Al\n0.279217 0.471360 0.365824 Al\n0.779217 0.028640 0.865824 Al\n0.720783 0.471360 0.365824 Al\n0.000000 0.645885 0.583504 Co\n0.500000 0.854115 0.083504 Co\n0.000000 0.837449 0.100603 Co\n0.500000 0.662551 0.600603 Co\n0.000000 0.950705 0.409034 Co\n0.500000 0.549295 0.909034 Co\n0.000000 0.518739 0.897757 Co\n0.500000 0.981261 0.397757 Co\n0.000000 0.354115 0.416496 Co\n0.500000 0.145885 0.916496 Co\n0.000000 0.162551 0.899397 Co\n0.500000 0.337449 0.399397 Co\n0.000000 0.481261 0.102243 Co\n0.500000 0.018739 0.602243 Co\n0.000000 0.049295 0.590966 Co\n0.500000 0.450705 0.090966 Co\n0.222625 0.656743 0.322802 Co\n0.277375 0.843257 0.822802 Co\n0.777375 0.656743 0.322802 Co\n0.722625 0.843257 0.822802 Co\n0.222625 0.343257 0.677198 Co\n0.277375 0.156743 0.177198 Co\n0.777375 0.343257 0.677198 Co\n0.722625 0.156743 0.177198 Co\n",
"nsites": 102,
"nelements": 2,
"elements": [
"Al",
"Co"
],
"chemical_system": "Al-Co",
"density": 3.98145465084436,
"density_atomic": 0.06949905924125457,
"volume": 1467.6457654761016,
"volume_molar": 8.665068025014738,
"formula_full": "Al78 Co24",
"formula_reduced": "Al13Co4",
"formula_anonymous": "A4B13",
"energy": -502.28260959,
"energy_per_atom": -4.924339309705882,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -502.28260959,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.023473,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:11.071000Z",
"spacegroup": 58
},
{
"id": "mp-1018101",
"created_at": "2022-09-04T14:41:50.239051Z",
"structure_string": "Al1 Co3\n1.0\n3.574948 0.000000 0.000000\n0.000000 3.574948 0.000000\n0.000000 0.000000 3.574948\nAl Co\n1 3\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Al",
"Co"
],
"chemical_system": "Al-Co",
"density": 7.406343710362048,
"density_atomic": 0.08754892223227381,
"volume": 45.688740626500255,
"volume_molar": 6.878600679997879,
"formula_full": "Al1 Co3",
"formula_reduced": "AlCo3",
"formula_anonymous": "AB3",
"energy": -25.80227373,
"energy_per_atom": -6.4505684325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.80227373,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.8780227,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:27.143000Z",
"spacegroup": 221
},
{
"id": "mp-1228607",
"created_at": "2022-09-04T14:39:11.140965Z",
"structure_string": "Al12 Co4\n1.0\n0.000000 4.087027 0.000000\n-0.002769 0.000000 7.519158\n7.639604 2.043513 -3.748189\nAl Co\n12 4\ndirect\n0.238094 0.398792 0.523812 Al\n0.755911 0.589489 0.488178 Al\n0.407398 0.790043 0.185204 Al\n0.579211 0.243758 0.841579 Al\n0.790603 0.902965 0.418795 Al\n0.191637 0.105182 0.616725 Al\n0.498988 0.003119 0.002023 Al\n0.586526 0.602549 0.826948 Al\n0.402736 0.398591 0.194529 Al\n0.125945 0.836824 0.748110 Al\n0.868241 0.156509 0.263518 Al\n0.981252 0.518730 0.037495 Al\n0.986309 0.823513 0.027381 Co\n0.007442 0.183922 0.985116 Co\n0.280921 0.723589 0.438158 Co\n0.712786 0.276823 0.574428 Co\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Al",
"Co"
],
"chemical_system": "Al-Co",
"density": 3.958118797666111,
"density_atomic": 0.06816334461129445,
"volume": 234.73026582308947,
"volume_molar": 8.834866883867889,
"formula_full": "Al12 Co4",
"formula_reduced": "Al3Co",
"formula_anonymous": "AB3",
"energy": -79.87290173,
"energy_per_atom": -4.992056358125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -79.87290173,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001314,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:31.490000Z",
"spacegroup": 8
},
{
"id": "mp-16488",
"created_at": "2022-09-04T14:46:11.153191Z",
"structure_string": "Al18 Co4\n1.0\n6.278438 0.000000 0.000000\n0.000000 6.198935 0.000000\n0.000000 0.728344 8.529583\nAl Co\n18 4\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.966167 0.405644 0.732560 Al\n0.466167 0.594356 0.767440 Al\n0.033833 0.594356 0.267440 Al\n0.533833 0.405644 0.232560 Al\n0.289772 0.087644 0.770720 Al\n0.789772 0.912356 0.729280 Al\n0.710228 0.912356 0.229280 Al\n0.210228 0.087644 0.270720 Al\n0.191730 0.390155 0.002337 Al\n0.691730 0.609845 0.497663 Al\n0.808270 0.609845 0.997663 Al\n0.308270 0.390155 0.502337 Al\n0.614050 0.215939 0.956006 Al\n0.114050 0.784061 0.543994 Al\n0.385950 0.784061 0.043994 Al\n0.885950 0.215939 0.456006 Al\n0.618468 0.263726 0.666486 Co\n0.118468 0.736274 0.833514 Co\n0.381532 0.736274 0.333514 Co\n0.881532 0.263726 0.166486 Co\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Al",
"Co"
],
"chemical_system": "Al-Co",
"density": 3.6085192734686924,
"density_atomic": 0.06627140664106003,
"volume": 331.96820642659145,
"volume_molar": 9.087087577025773,
"formula_full": "Al18 Co4",
"formula_reduced": "Al9Co2",
"formula_anonymous": "A2B9",
"energy": -103.15506926,
"energy_per_atom": -4.688866784545454,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -103.15506926,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.52e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:22.468000Z",
"spacegroup": 14
}
]
}