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=chemical_system&page=10215",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=chemical_system&page=10213",
"results": [
{
"id": "mp-1246942",
"created_at": "2022-09-04T14:40:08.915577Z",
"structure_string": "Mg2 V3 Ni1 S8\n1.0\n6.270280 0.067872 3.712079\n2.145072 5.879043 3.727973\n0.086576 0.080567 7.273502\nMg V Ni S\n2 3 1 8\ndirect\n0.875892 0.875492 0.875176 Mg\n0.124108 0.124513 0.124843 Mg\n0.500025 0.500011 0.999982 V\n0.999990 0.500050 0.499989 V\n0.499993 0.999955 0.500001 V\n0.500005 0.500009 0.499982 Ni\n0.739998 0.738577 0.740412 S\n0.268514 0.267616 0.708681 S\n0.268870 0.707965 0.268305 S\n0.708701 0.267709 0.268462 S\n0.731130 0.292043 0.731685 S\n0.291282 0.732267 0.731553 S\n0.260000 0.261422 0.259618 S\n0.731495 0.732365 0.291311 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Mg",
"V",
"Ni",
"S"
],
"chemical_system": "Mg-Ni-S-V",
"density": 3.250207439460086,
"density_atomic": 0.053039002750129564,
"volume": 263.9566974129392,
"volume_molar": 11.354174188324627,
"formula_full": "Mg2 V3 Ni1 S8",
"formula_reduced": "Mg2V3NiS8",
"formula_anonymous": "AB2C3D8",
"energy": -85.34153655,
"energy_per_atom": -6.095824039285715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -81.31753655,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.8243192,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.012000Z",
"spacegroup": 166
},
{
"id": "mp-1246482",
"created_at": "2022-09-04T14:41:02.174985Z",
"structure_string": "Mg2 Ni2 W2 S8\n1.0\n6.269803 -0.001913 3.616929\n1.946155 5.886536 3.863396\n-0.037535 0.274882 7.299428\nMg Ni W S\n2 2 2 8\ndirect\n0.866285 0.884197 0.883969 Mg\n0.133600 0.115926 0.116149 Mg\n0.499947 0.499991 0.499979 Ni\n0.000079 0.499984 0.499991 Ni\n0.500007 0.500745 0.999237 W\n0.500006 0.999234 0.500750 W\n0.750430 0.737419 0.737319 S\n0.270542 0.261162 0.697508 S\n0.270529 0.697576 0.261114 S\n0.724731 0.262622 0.262715 S\n0.729472 0.302540 0.738754 S\n0.274783 0.737341 0.737256 S\n0.250122 0.262545 0.262656 S\n0.729471 0.738713 0.302604 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Mg",
"Ni",
"W",
"S"
],
"chemical_system": "Mg-Ni-S-W",
"density": 4.942078958128447,
"density_atomic": 0.05272946334436716,
"volume": 265.5062106088276,
"volume_molar": 11.420826949575464,
"formula_full": "Mg2 Ni2 W2 S8",
"formula_reduced": "MgNiWS4",
"formula_anonymous": "ABCD4",
"energy": -85.13906552,
"energy_per_atom": -6.081361822857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -81.11506552,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.5684868,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:11.471000Z",
"spacegroup": 74
},
{
"id": "mp-1247084",
"created_at": "2022-09-04T14:42:44.323723Z",
"structure_string": "Mg2 Ni1 W3 S8\n1.0\n6.288116 0.229991 4.007121\n2.313361 5.853211 4.006372\n0.325963 0.229519 7.449640\nMg Ni W S\n2 1 3 8\ndirect\n0.873596 0.873638 0.873682 Mg\n0.126398 0.126360 0.126332 Mg\n0.499995 0.500020 0.499985 Ni\n0.500226 0.500232 0.999564 W\n0.999632 0.500153 0.500234 W\n0.500162 0.999616 0.500246 W\n0.743731 0.743865 0.743821 S\n0.269051 0.269261 0.710085 S\n0.268999 0.710100 0.269160 S\n0.709895 0.269336 0.269318 S\n0.730976 0.289830 0.730802 S\n0.290024 0.730644 0.730655 S\n0.256371 0.256215 0.256249 S\n0.730949 0.730725 0.289869 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Mg",
"Ni",
"W",
"S"
],
"chemical_system": "Mg-Ni-S-W",
"density": 5.86347085225142,
"density_atomic": 0.05400695035028924,
"volume": 259.2258942450177,
"volume_molar": 11.150677312716931,
"formula_full": "Mg2 Ni1 W3 S8",
"formula_reduced": "Mg2NiW3S8",
"formula_anonymous": "AB2C3D8",
"energy": -92.00267464,
"energy_per_atom": -6.571619617142857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -87.97867464,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.2719604,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:57.959000Z",
"spacegroup": 166
},
{
"id": "mp-1246618",
"created_at": "2022-09-04T14:40:35.750609Z",
"structure_string": "Mg2 Ni3 W1 S8\n1.0\n6.156527 -0.002304 3.545270\n2.048739 5.832671 3.547497\n-0.003052 0.000558 7.095803\nMg Ni W S\n2 3 1 8\ndirect\n0.868782 0.893305 0.868881 Mg\n0.131207 0.106715 0.131133 Mg\n0.499982 0.500059 0.499904 Ni\n0.500013 0.499986 0.999994 Ni\n0.000003 0.499994 0.500011 Ni\n0.499991 0.999985 0.500028 W\n0.739326 0.732657 0.739242 S\n0.260718 0.267210 0.711190 S\n0.270300 0.688612 0.270375 S\n0.711356 0.267171 0.260751 S\n0.729717 0.311364 0.729631 S\n0.288637 0.732821 0.739260 S\n0.260680 0.267329 0.260776 S\n0.739293 0.732787 0.288825 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Mg",
"Ni",
"W",
"S"
],
"chemical_system": "Mg-Ni-S-W",
"density": 4.3325930509754755,
"density_atomic": 0.054925296323351774,
"volume": 254.8916608038003,
"volume_molar": 10.964238999361859,
"formula_full": "Mg2 Ni3 W1 S8",
"formula_reduced": "Mg2Ni3WS8",
"formula_anonymous": "AB2C3D8",
"energy": -77.65608177,
"energy_per_atom": -5.546862983571429,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -73.63208177,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0252063,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:05.874000Z",
"spacegroup": 166
},
{
"id": "mp-1208458",
"created_at": "2022-09-04T14:42:48.517615Z",
"structure_string": "Tb16 Mg4 Ni4\n1.0\n0.000000 6.821226 6.821226\n6.821226 0.000000 6.821226\n6.821226 6.821226 0.000000\nTb Mg Ni\n16 4 4\ndirect\n0.184266 0.815734 0.815734 Tb\n0.815734 0.184266 0.184266 Tb\n0.815734 0.184266 0.815734 Tb\n0.184266 0.815734 0.184266 Tb\n0.815734 0.815734 0.184266 Tb\n0.184266 0.184266 0.815734 Tb\n0.061941 0.438059 0.438059 Tb\n0.438059 0.061941 0.061941 Tb\n0.438059 0.061941 0.438059 Tb\n0.061941 0.438059 0.061941 Tb\n0.438059 0.438059 0.061941 Tb\n0.061941 0.061941 0.438059 Tb\n0.596070 0.596070 0.596070 Tb\n0.596070 0.596070 0.211789 Tb\n0.596070 0.211789 0.596070 Tb\n0.211789 0.596070 0.596070 Tb\n0.830279 0.830279 0.830279 Mg\n0.830279 0.830279 0.509163 Mg\n0.830279 0.509163 0.830279 Mg\n0.509163 0.830279 0.830279 Mg\n0.391462 0.391462 0.391462 Ni\n0.391462 0.391462 0.825615 Ni\n0.391462 0.825615 0.391462 Ni\n0.825615 0.391462 0.391462 Ni\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Tb",
"Mg",
"Ni"
],
"chemical_system": "Mg-Ni-Tb",
"density": 7.520371603017345,
"density_atomic": 0.03780889020132866,
"volume": 634.7713427239555,
"volume_molar": 15.927843234574427,
"formula_full": "Tb16 Mg4 Ni4",
"formula_reduced": "Tb4MgNi",
"formula_anonymous": "ABC4",
"energy": -108.35886117,
"energy_per_atom": -4.51495254875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -108.35886117,
"band_gap": 0.0121999999999999,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0084662,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:52.850000Z",
"spacegroup": 216
},
{
"id": "mp-1077298",
"created_at": "2022-09-04T14:42:24.830462Z",
"structure_string": "Tb2 Mg2 Ni2\n1.0\n1.840433 -8.817969 0.000000\n1.840433 8.817969 0.000000\n0.000000 0.000000 3.958982\nTb Mg Ni\n2 2 2\ndirect\n0.586655 0.413345 0.750000 Tb\n0.413345 0.586655 0.250000 Tb\n0.797719 0.202281 0.750000 Mg\n0.202281 0.797719 0.250000 Mg\n0.957249 0.042751 0.750000 Ni\n0.042751 0.957249 0.250000 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Tb",
"Mg",
"Ni"
],
"chemical_system": "Mg-Ni-Tb",
"density": 6.252525858731223,
"density_atomic": 0.04669271723817721,
"volume": 128.4996966313676,
"volume_molar": 12.897387678856559,
"formula_full": "Tb2 Mg2 Ni2",
"formula_reduced": "TbMgNi",
"formula_anonymous": "ABC",
"energy": -25.89285828,
"energy_per_atom": -4.31547638,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.89285828,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004484,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:50.085000Z",
"spacegroup": 63
},
{
"id": "mp-1206554",
"created_at": "2022-09-04T14:42:24.017860Z",
"structure_string": "Tb4 Mg2 Ni4\n1.0\n7.284937 0.000000 0.000000\n0.000000 7.284937 0.000000\n0.000000 0.000000 3.765412\nTb Mg Ni\n4 2 4\ndirect\n0.674231 0.174231 0.500000 Tb\n0.325769 0.825769 0.500000 Tb\n0.174231 0.325769 0.500000 Tb\n0.825769 0.674231 0.500000 Tb\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.119101 0.619101 0.000000 Ni\n0.880899 0.380899 0.000000 Ni\n0.619101 0.880899 0.000000 Ni\n0.380899 0.119101 0.000000 Ni\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Tb",
"Mg",
"Ni"
],
"chemical_system": "Mg-Ni-Tb",
"density": 7.637314459621185,
"density_atomic": 0.05004214269639511,
"volume": 199.83157117531601,
"volume_molar": 12.034138499097116,
"formula_full": "Tb4 Mg2 Ni4",
"formula_reduced": "Tb2MgNi2",
"formula_anonymous": "AB2C2",
"energy": -48.56028202,
"energy_per_atom": -4.856028202,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.56028202,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004991,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:43.397000Z",
"spacegroup": 127
},
{
"id": "mp-570272",
"created_at": "2022-09-04T14:42:13.932477Z",
"structure_string": "Tb2 Mg3 Ni2\n1.0\n1.977267 -10.546813 0.000000\n1.977267 10.546813 0.000000\n0.000000 0.000000 3.630119\nTb Mg Ni\n2 3 2\ndirect\n0.823523 0.176477 0.000000 Tb\n0.176477 0.823523 0.000000 Tb\n0.420011 0.579989 0.500000 Mg\n0.579989 0.420011 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.286912 0.713088 0.500000 Ni\n0.713088 0.286912 0.500000 Ni\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Tb",
"Mg",
"Ni"
],
"chemical_system": "Mg-Ni-Tb",
"density": 5.573214294514907,
"density_atomic": 0.046233909476324504,
"volume": 151.40402529845687,
"volume_molar": 13.025376456827262,
"formula_full": "Tb2 Mg3 Ni2",
"formula_reduced": "Tb2Mg3Ni2",
"formula_anonymous": "A2B2C3",
"energy": -27.62002832,
"energy_per_atom": -3.9457183314285715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.62002832,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012065,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:42.026000Z",
"spacegroup": 65
},
{
"id": "mp-1208372",
"created_at": "2022-09-04T14:41:19.002462Z",
"structure_string": "Tb9 Mg5 Ni4\n1.0\n10.939548 0.000000 0.000000\n0.000000 10.939548 0.000000\n0.000000 0.000000 3.647725\nTb Mg Ni\n9 5 4\ndirect\n0.324126 0.324126 0.500000 Tb\n0.675874 0.675874 0.500000 Tb\n0.324126 0.675874 0.500000 Tb\n0.675874 0.324126 0.500000 Tb\n0.000000 0.275790 0.500000 Tb\n0.000000 0.724210 0.500000 Tb\n0.275790 0.000000 0.500000 Tb\n0.724210 0.000000 0.500000 Tb\n0.000000 0.000000 0.000000 Tb\n0.500000 0.141924 0.000000 Mg\n0.500000 0.858076 0.000000 Mg\n0.141924 0.500000 0.000000 Mg\n0.858076 0.500000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.190355 0.190355 0.000000 Ni\n0.809645 0.809645 0.000000 Ni\n0.190355 0.809645 0.000000 Ni\n0.809645 0.190355 0.000000 Ni\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Tb",
"Mg",
"Ni"
],
"chemical_system": "Mg-Ni-Tb",
"density": 6.796136350530465,
"density_atomic": 0.04123363849452235,
"volume": 436.53678543044884,
"volume_molar": 14.604922048778224,
"formula_full": "Tb9 Mg5 Ni4",
"formula_reduced": "Tb9Mg5Ni4",
"formula_anonymous": "A4B5C9",
"energy": -77.29296239,
"energy_per_atom": -4.294053466111111,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -77.29296239,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0304591,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:09.867000Z",
"spacegroup": 123
},
{
"id": "mp-1217746",
"created_at": "2022-09-04T14:47:16.640868Z",
"structure_string": "Tb17 Mg11 Ni8\n1.0\n3.643967 0.000000 0.000000\n0.000000 10.949729 0.000000\n0.000000 0.000000 21.904590\nTb Mg Ni\n17 11 8\ndirect\n0.500000 0.324172 0.162130 Tb\n0.500000 0.324781 0.662059 Tb\n0.500000 0.675219 0.337941 Tb\n0.500000 0.675828 0.837870 Tb\n0.500000 0.675828 0.162130 Tb\n0.500000 0.675219 0.662059 Tb\n0.500000 0.324781 0.337941 Tb\n0.500000 0.324172 0.837870 Tb\n0.500000 0.000000 0.135624 Tb\n0.500000 0.000000 0.633348 Tb\n0.500000 0.000000 0.366652 Tb\n0.500000 0.000000 0.864376 Tb\n0.500000 0.728759 0.000000 Tb\n0.500000 0.733345 0.500000 Tb\n0.500000 0.271241 0.000000 Tb\n0.500000 0.266655 0.500000 Tb\n0.000000 0.000000 0.000000 Tb\n0.000000 0.500000 0.070838 Mg\n0.000000 0.500000 0.570832 Mg\n0.000000 0.500000 0.429168 Mg\n0.000000 0.500000 0.929162 Mg\n0.000000 0.858353 0.250177 Mg\n0.000000 0.858353 0.749823 Mg\n0.000000 0.141647 0.250177 Mg\n0.000000 0.141647 0.749823 Mg\n0.000000 0.500000 0.250078 Mg\n0.000000 0.500000 0.749922 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.190307 0.095259 Ni\n0.000000 0.190141 0.595161 Ni\n0.000000 0.809859 0.404839 Ni\n0.000000 0.809693 0.904741 Ni\n0.000000 0.809693 0.095259 Ni\n0.000000 0.809859 0.595161 Ni\n0.000000 0.190141 0.404839 Ni\n0.000000 0.190307 0.904741 Ni\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Tb",
"Mg",
"Ni"
],
"chemical_system": "Mg-Ni-Tb",
"density": 6.533140654554149,
"density_atomic": 0.041189788885947196,
"volume": 874.003022925961,
"volume_molar": 14.620470079793456,
"formula_full": "Tb17 Mg11 Ni8",
"formula_reduced": "Tb17Mg11Ni8",
"formula_anonymous": "A8B11C17",
"energy": -151.70582840999998,
"energy_per_atom": -4.2140507891666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -151.70582840999998,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0473,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:59.337000Z",
"spacegroup": 47
},
{
"id": "mp-1021984",
"created_at": "2022-09-04T14:39:49.090657Z",
"structure_string": "Mg12 Ti2 Ni2\n1.0\n4.822077 0.000000 0.000000\n0.000000 5.909928 0.000000\n0.000000 0.000000 10.989334\nMg Ti Ni\n12 2 2\ndirect\n0.000000 0.253358 0.426113 Mg\n0.000000 0.746642 0.426113 Mg\n0.500000 0.752651 0.085049 Mg\n0.500000 0.247349 0.085049 Mg\n0.500000 0.000000 0.311326 Mg\n0.500000 0.500000 0.328050 Mg\n0.000000 0.753358 0.926113 Mg\n0.000000 0.246642 0.926113 Mg\n0.500000 0.252651 0.585049 Mg\n0.500000 0.747349 0.585049 Mg\n0.500000 0.500000 0.811326 Mg\n0.500000 0.000000 0.828050 Mg\n0.000000 0.500000 0.177936 Ti\n0.000000 0.000000 0.677936 Ti\n0.000000 0.000000 0.160361 Ni\n0.000000 0.500000 0.660361 Ni\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Ti",
"Ni"
],
"chemical_system": "Mg-Ni-Ti",
"density": 2.67648134649172,
"density_atomic": 0.05108957366257214,
"volume": 313.175445653043,
"volume_molar": 11.787416351864719,
"formula_full": "Mg12 Ti2 Ni2",
"formula_reduced": "Mg6TiNi",
"formula_anonymous": "ABC6",
"energy": -44.6866768,
"energy_per_atom": -2.7929173,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.6866768,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.1642562,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.797000Z",
"spacegroup": 38
},
{
"id": "mp-1097548",
"created_at": "2022-09-04T14:43:55.463269Z",
"structure_string": "Mg1 Ti1 Ni2\n1.0\n-4.700089 5.149646 7.232165\n4.700089 -5.149646 7.232165\n4.700089 5.149646 -7.232165\nMg Ti Ni\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Ti\n0.000000 0.279974 0.279974 Ni\n0.000000 0.720026 0.720026 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Ti",
"Ni"
],
"chemical_system": "Mg-Ni-Ti",
"density": 0.44955338664290345,
"density_atomic": 0.005712789434062349,
"volume": 700.1833423353767,
"volume_molar": 105.41506613377264,
"formula_full": "Mg1 Ti1 Ni2",
"formula_reduced": "MgTiNi2",
"formula_anonymous": "ABC2",
"energy": -12.49310851,
"energy_per_atom": -3.1232771275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.49310851,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.7477869,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:24.589000Z",
"spacegroup": 71
}
]
}