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=nelements&page=12",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nelements&page=10",
"results": [
{
"id": "mp-23153",
"created_at": "2022-09-04T14:46:41.832670Z",
"structure_string": "I4\n1.0\n2.301666 -4.570426 0.000000\n2.301666 4.570426 0.000000\n0.000000 0.000000 9.832479\nI\n4\ndirect\n0.658867 0.658867 0.122443 I\n0.341133 0.341133 0.877557 I\n0.841133 0.841133 0.622443 I\n0.158867 0.158867 0.377557 I\n",
"nsites": 4,
"nelements": 1,
"elements": [
"I"
],
"chemical_system": "I",
"density": 4.074684630977836,
"density_atomic": 0.019336059958200924,
"volume": 206.8673767379117,
"volume_molar": 31.14461153419135,
"formula_full": "I4",
"formula_reduced": "I",
"formula_anonymous": "A",
"energy": -6.09605046,
"energy_per_atom": -1.524012615,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.09605046,
"band_gap": 1.0548,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015802,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:44.205000Z",
"spacegroup": 64
},
{
"id": "mp-557869",
"created_at": "2022-09-04T14:46:42.607016Z",
"structure_string": "S48\n1.0\n11.599142 0.000000 0.000000\n0.000000 11.858253 0.000000\n0.000000 1.724424 11.735367\nS\n48\ndirect\n0.319742 0.212544 0.730353 S\n0.017637 0.950298 0.961469 S\n0.819742 0.787456 0.269647 S\n0.076159 0.659723 0.245731 S\n0.154623 0.453340 0.950970 S\n0.851140 0.723281 0.746024 S\n0.593105 0.846393 0.775079 S\n0.180247 0.764479 0.134887 S\n0.980835 0.757914 0.341583 S\n0.441604 0.833155 0.336174 S\n0.068583 0.299605 0.960866 S\n0.689669 0.753482 0.675058 S\n0.517637 0.049702 0.038531 S\n0.490000 0.736580 0.882034 S\n0.093105 0.153607 0.224921 S\n0.319300 0.054703 0.830366 S\n0.845859 0.924655 0.001855 S\n0.941604 0.166845 0.663826 S\n0.235725 0.928428 0.499117 S\n0.381466 0.562254 0.449756 S\n0.576159 0.340277 0.754269 S\n0.173955 0.657244 0.610796 S\n0.735725 0.071572 0.500883 S\n0.353190 0.437529 0.159765 S\n0.407507 0.940845 0.453884 S\n0.351140 0.276719 0.253976 S\n0.601494 0.204939 0.022492 S\n0.819300 0.945297 0.169634 S\n0.568583 0.700395 0.039134 S\n0.907507 0.059155 0.546116 S\n0.510088 0.682796 0.418659 S\n0.320724 0.558478 0.613753 S\n0.326158 0.424117 0.990306 S\n0.189669 0.246518 0.324942 S\n0.826158 0.575883 0.009694 S\n0.480835 0.242086 0.658417 S\n0.673955 0.342756 0.389204 S\n0.990000 0.263420 0.117966 S\n0.217500 0.816326 0.648350 S\n0.680247 0.235521 0.865113 S\n0.345859 0.075345 0.998145 S\n0.853190 0.562471 0.840235 S\n0.654623 0.546660 0.049030 S\n0.010088 0.317204 0.581341 S\n0.881466 0.437746 0.550244 S\n0.717500 0.183674 0.351650 S\n0.820724 0.441522 0.386247 S\n0.101494 0.795061 0.977508 S\n",
"nsites": 48,
"nelements": 1,
"elements": [
"S"
],
"chemical_system": "S",
"density": 1.5833551030390092,
"density_atomic": 0.029737056937035322,
"volume": 1614.1476307367702,
"volume_molar": 20.25130049941111,
"formula_full": "S48",
"formula_reduced": "S",
"formula_anonymous": "A",
"energy": -198.50822487,
"energy_per_atom": -4.1355880181249995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -198.50822487,
"band_gap": 2.5243,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.1e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:49.885000Z",
"spacegroup": 4
},
{
"id": "mp-41",
"created_at": "2022-09-04T14:46:54.311959Z",
"structure_string": "Zr1\n1.0\n-1.791637 1.791637 1.791637\n1.791637 -1.791637 1.791637\n1.791637 1.791637 -1.791637\nZr\n1\ndirect\n0.000000 0.000000 0.000000 Zr\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Zr"
],
"chemical_system": "Zr",
"density": 6.5848843117904075,
"density_atomic": 0.04347003006623424,
"volume": 23.004354919385243,
"volume_molar": 13.853546341753638,
"formula_full": "Zr1",
"formula_reduced": "Zr",
"formula_anonymous": "A",
"energy": -8.47313825,
"energy_per_atom": -8.47313825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.47313825,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0372375,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:47.625000Z",
"spacegroup": 229
},
{
"id": "mp-989695",
"created_at": "2022-09-04T14:46:56.119189Z",
"structure_string": "Cu4\n1.0\n1.278814 -2.214971 0.000000\n1.278814 2.214971 0.000000\n0.000000 0.000000 8.343082\nCu\n4\ndirect\n0.000000 0.000000 0.000000 Cu\n0.333333 0.666667 0.250000 Cu\n0.000000 0.000000 0.500000 Cu\n0.666667 0.333333 0.750000 Cu\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Cu"
],
"chemical_system": "Cu",
"density": 8.930286104733547,
"density_atomic": 0.08463072415000558,
"volume": 47.26415897032988,
"volume_molar": 7.11578545555858,
"formula_full": "Cu4",
"formula_reduced": "Cu",
"formula_anonymous": "A",
"energy": -16.37376234,
"energy_per_atom": -4.093440585,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.37376234,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:49.828000Z",
"spacegroup": 194
},
{
"id": "mp-1096861",
"created_at": "2022-09-04T14:47:04.860892Z",
"structure_string": "Cd1\n1.0\n0.000000 2.265485 2.265485\n2.265485 0.000000 2.265485\n2.265485 2.265485 0.000000\nCd\n1\ndirect\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Cd"
],
"chemical_system": "Cd",
"density": 8.026835080186322,
"density_atomic": 0.04300177983194949,
"volume": 23.25485140168592,
"volume_molar": 14.004398849383591,
"formula_full": "Cd1",
"formula_reduced": "Cd",
"formula_anonymous": "A",
"energy": -0.92288976,
"energy_per_atom": -0.92288976,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.92288976,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004163,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:56.791000Z",
"spacegroup": 225
},
{
"id": "mp-10752",
"created_at": "2022-09-04T14:47:05.919791Z",
"structure_string": "Er1\n1.0\n0.000000 2.479631 2.479631\n2.479631 0.000000 2.479631\n2.479631 2.479631 0.000000\nEr\n1\ndirect\n0.000000 0.000000 0.000000 Er\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Er"
],
"chemical_system": "Er",
"density": 9.108511817257998,
"density_atomic": 0.032795090426588104,
"volume": 30.49236904037519,
"volume_molar": 18.36293384670055,
"formula_full": "Er1",
"formula_reduced": "Er",
"formula_anonymous": "A",
"energy": -4.5408031,
"energy_per_atom": -4.5408031,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.5408031,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0026353,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:54.704000Z",
"spacegroup": 225
},
{
"id": "mp-11446",
"created_at": "2022-09-04T14:43:06.138768Z",
"structure_string": "Tb1\n1.0\n-2.010000 2.010000 2.010000\n2.010000 -2.010000 2.010000\n2.010000 2.010000 -2.010000\nTb\n1\ndirect\n0.000000 0.000000 0.000000 Tb\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Tb"
],
"chemical_system": "Tb",
"density": 8.124452622043565,
"density_atomic": 0.030785898728431564,
"volume": 32.48240399999999,
"volume_molar": 19.561360911118697,
"formula_full": "Tb1",
"formula_reduced": "Tb",
"formula_anonymous": "A",
"energy": -4.48633589,
"energy_per_atom": -4.48633589,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.48633589,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.036963,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:58.587000Z",
"spacegroup": 229
},
{
"id": "mp-684673",
"created_at": "2022-09-04T14:43:07.186362Z",
"structure_string": "S1\n1.0\n0.000000 1.993812 1.993812\n1.993812 0.000000 1.993812\n1.993812 1.993812 0.000000\nS\n1\ndirect\n0.000000 0.000000 0.000000 S\n",
"nsites": 1,
"nelements": 1,
"elements": [
"S"
],
"chemical_system": "S",
"density": 3.3589050667306677,
"density_atomic": 0.06308373341125703,
"volume": 15.851947022234326,
"volume_molar": 9.546265628795794,
"formula_full": "S1",
"formula_reduced": "S",
"formula_anonymous": "A",
"energy": -2.83516414,
"energy_per_atom": -2.83516414,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.83516414,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0037238,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:58.117000Z",
"spacegroup": 225
},
{
"id": "mp-121",
"created_at": "2022-09-04T14:43:08.297363Z",
"structure_string": "Hg1\n1.0\n2.568470 -1.873816 0.000000\n2.568470 1.873816 0.000000\n1.201436 0.000000 2.943599\nHg\n1\ndirect\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 11.755694544915189,
"density_atomic": 0.035293108981259515,
"volume": 28.334143090964176,
"volume_molar": 17.063219800776775,
"formula_full": "Hg1",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"energy": -0.27636913,
"energy_per_atom": -0.27636913,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.27636913,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.66e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:00.748000Z",
"spacegroup": 166
},
{
"id": "mp-568610",
"created_at": "2022-09-04T14:43:08.370312Z",
"structure_string": "Bi1\n1.0\n-1.993848 1.993848 1.993848\n1.993848 -1.993848 1.993848\n1.993848 1.993848 -1.993848\nBi\n1\ndirect\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Bi"
],
"chemical_system": "Bi",
"density": 10.945069438495326,
"density_atomic": 0.03154015822027858,
"volume": 31.70561139915447,
"volume_molar": 19.093565472756875,
"formula_full": "Bi1",
"formula_reduced": "Bi",
"formula_anonymous": "A",
"energy": -3.75067891,
"energy_per_atom": -3.75067891,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.75067891,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.64e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:16.241000Z",
"spacegroup": 229
},
{
"id": "mp-630227",
"created_at": "2022-09-04T14:43:09.698906Z",
"structure_string": "C60\n1.0\n-4.564359 4.585472 7.585401\n4.564359 -4.585472 7.585401\n4.564359 4.585472 -7.585401\nC\n60\ndirect\n0.235781 0.701088 0.034030 C\n0.332942 0.798249 0.034030 C\n0.360268 0.947356 0.412913 C\n0.917051 0.089496 0.669185 C\n0.082128 0.590078 0.826883 C\n0.917872 0.409922 0.173117 C\n0.579689 0.752134 0.669185 C\n0.323510 0.352175 0.282972 C\n0.667058 0.701088 0.465307 C\n0.764219 0.798249 0.465307 C\n0.069203 0.040537 0.717028 C\n0.930797 0.647825 0.971334 C\n0.769908 0.566097 0.635304 C\n0.639732 0.052644 0.587087 C\n0.465557 0.052644 0.412913 C\n0.774653 0.698435 0.923782 C\n0.082128 0.255244 0.492050 C\n0.917051 0.247866 0.827555 C\n0.930797 0.959463 0.282972 C\n0.667058 0.201751 0.965970 C\n0.534443 0.947356 0.587087 C\n0.676490 0.647825 0.717028 C\n0.239268 0.033940 0.463442 C\n0.911650 0.587976 0.499626 C\n0.323510 0.040537 0.971334 C\n0.088350 0.412024 0.500374 C\n0.930793 0.134604 0.364696 C\n0.069203 0.352175 0.028666 C\n0.676490 0.959463 0.028666 C\n0.760732 0.966060 0.536558 C\n0.429503 0.966060 0.205328 C\n0.239268 0.775826 0.205328 C\n0.420311 0.247866 0.330815 C\n0.082949 0.910504 0.330815 C\n0.760732 0.224174 0.794672 C\n0.917872 0.744756 0.507950 C\n0.236806 0.744756 0.826883 C\n0.069207 0.865396 0.635304 C\n0.088350 0.587976 0.676325 C\n0.332942 0.298912 0.534693 C\n0.930793 0.566097 0.796190 C\n0.420311 0.089496 0.172445 C\n0.429503 0.224174 0.463442 C\n0.570497 0.775826 0.536558 C\n0.236806 0.409922 0.492050 C\n0.763194 0.255244 0.173117 C\n0.230092 0.865396 0.796190 C\n0.570497 0.033940 0.794672 C\n0.230092 0.433903 0.364696 C\n0.579689 0.910504 0.827555 C\n0.769908 0.134604 0.203810 C\n0.774653 0.850871 0.076218 C\n0.763194 0.590078 0.507950 C\n0.225347 0.301565 0.076218 C\n0.069207 0.433903 0.203810 C\n0.764219 0.298912 0.965970 C\n0.911650 0.412024 0.323675 C\n0.082949 0.752134 0.172445 C\n0.235781 0.201751 0.534693 C\n0.225347 0.149129 0.923782 C\n",
"nsites": 60,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 1.884370470376474,
"density_atomic": 0.09448195542737846,
"volume": 635.0418948104617,
"volume_molar": 6.373852798409523,
"formula_full": "C60",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -529.98739764,
"energy_per_atom": -8.833123294,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -529.98739764,
"band_gap": 0.8110999999999997,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005625,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:01.783000Z",
"spacegroup": 71
},
{
"id": "mp-1068966",
"created_at": "2022-09-04T14:47:13.169073Z",
"structure_string": "K5\n1.0\n4.459769 -6.503227 0.000000\n4.459769 6.503227 0.000000\n0.000000 0.000000 8.659120\nK\n5\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.500000 0.747291 K\n0.500000 0.000000 0.747291 K\n0.500000 0.000000 0.252709 K\n0.000000 0.500000 0.252709 K\n",
"nsites": 5,
"nelements": 1,
"elements": [
"K"
],
"chemical_system": "K",
"density": 0.6462967090133793,
"density_atomic": 0.009954626558567391,
"volume": 502.2790127367238,
"volume_molar": 60.49589830988767,
"formula_full": "K5",
"formula_reduced": "K",
"formula_anonymous": "A",
"energy": -4.65632006,
"energy_per_atom": -0.931264012,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.65632006,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0038517,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:58.808000Z",
"spacegroup": 65
}
]
}