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=is_theoretical&page=12175",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_theoretical&page=12173",
"results": [
{
"id": "mp-1522779",
"created_at": "2022-09-04T14:48:23.802886Z",
"structure_string": "Eu2 Y1 V1 O6\n1.0\n0.000000 -4.093139 -4.093139\n4.093139 -0.000000 -4.093139\n4.093139 -4.093139 -0.000000\nEu Y V O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Eu\n0.750000 0.750000 0.750000 Eu\n0.500000 0.500000 0.500000 Y\n0.000000 -0.000000 0.000000 V\n0.767498 0.232502 0.232502 O\n0.232502 0.767498 0.767498 O\n0.767498 0.232502 0.767498 O\n0.232502 0.767498 0.232502 O\n0.767498 0.767498 0.232502 O\n0.232502 0.232502 0.767498 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Eu",
"Y",
"V",
"O"
],
"chemical_system": "Eu-O-V-Y",
"density": 6.5352133966338455,
"density_atomic": 0.07291225408659736,
"volume": 137.15115689775647,
"volume_molar": 8.259435722351345,
"formula_full": "Eu2 Y1 V1 O6",
"formula_reduced": "Eu2YVO6",
"formula_anonymous": "ABC2D6",
"energy": -97.04931183,
"energy_per_atom": -9.704931183,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -91.22731183,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.9990334,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:28.969000Z",
"spacegroup": 225
},
{
"id": "mp-1101589",
"created_at": "2022-09-04T14:48:23.855202Z",
"structure_string": "Mo4 P4 O22\n1.0\n6.437696 0.000000 0.000000\n0.013221 7.607010 0.000000\n0.026623 2.398368 8.833915\nMo P O\n4 4 22\ndirect\n0.246726 0.391400 0.704935 Mo\n0.753274 0.608600 0.295065 Mo\n0.247829 0.184175 0.139310 Mo\n0.752171 0.815825 0.860690 Mo\n0.748811 0.070014 0.116290 P\n0.748898 0.490767 0.670689 P\n0.251102 0.509233 0.329311 P\n0.251189 0.929986 0.883710 P\n0.254720 0.982365 0.037751 O\n0.240385 0.042515 0.315571 O\n0.753215 0.906416 0.251101 O\n0.745280 0.017635 0.962249 O\n0.062507 0.638741 0.304893 O\n0.758119 0.376324 0.357977 O\n0.759615 0.957485 0.684429 O\n0.246785 0.093584 0.748899 O\n0.058459 0.803177 0.892033 O\n0.443466 0.633516 0.306901 O\n0.751523 0.636736 0.520132 O\n0.248719 0.356196 0.906668 O\n0.750481 0.587847 0.804011 O\n0.751281 0.643804 0.093332 O\n0.555821 0.194610 0.115688 O\n0.937493 0.361259 0.695107 O\n0.249519 0.412153 0.195989 O\n0.556534 0.366484 0.693099 O\n0.241881 0.623676 0.642023 O\n0.248477 0.363264 0.479868 O\n0.444179 0.805390 0.884312 O\n0.941541 0.196823 0.107967 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Mo",
"P",
"O"
],
"chemical_system": "Mo-O-P",
"density": 3.299658378099443,
"density_atomic": 0.06934634673472229,
"volume": 432.6111094901955,
"volume_molar": 8.68414998563243,
"formula_full": "Mo4 P4 O22",
"formula_reduced": "Mo2P2O11",
"formula_anonymous": "A2B2C11",
"energy": -241.81170443,
"energy_per_atom": -8.060390147666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -213.88970443,
"band_gap": 1.9922,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0046165,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:04.787000Z",
"spacegroup": 2
},
{
"id": "mp-759198",
"created_at": "2022-09-04T14:48:23.855901Z",
"structure_string": "Li4 Ag2 F6\n1.0\n2.753984 -4.600808 0.000000\n2.753984 4.600808 0.000000\n0.000000 0.000000 5.393580\nLi Ag F\n4 2 6\ndirect\n0.832994 0.167006 0.000000 Li\n0.832994 0.167006 0.500000 Li\n0.167006 0.832994 0.000000 Li\n0.167006 0.832994 0.500000 Li\n0.467900 0.467900 0.750000 Ag\n0.532100 0.532100 0.250000 Ag\n0.517825 0.098979 0.250000 F\n0.058398 0.058398 0.750000 F\n0.901021 0.482175 0.750000 F\n0.098979 0.517825 0.250000 F\n0.941602 0.941602 0.250000 F\n0.482175 0.901021 0.750000 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"Ag",
"F"
],
"chemical_system": "Ag-F-Li",
"density": 4.343215190147743,
"density_atomic": 0.08779678301202752,
"volume": 136.6792676031887,
"volume_molar": 6.859181570667584,
"formula_full": "Li4 Ag2 F6",
"formula_reduced": "Li2AgF3",
"formula_anonymous": "AB2C3",
"energy": -53.9947038,
"energy_per_atom": -4.49955865,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -51.222703800000005,
"band_gap": 1.8653,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.93e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:04.676000Z",
"spacegroup": 63
},
{
"id": "mp-1233711",
"created_at": "2022-09-04T14:48:24.498309Z",
"structure_string": "Ca1 V4 Ni2 O12\n1.0\n7.033148 -0.041894 0.096660\n-0.776864 6.851194 0.007337\n-1.381320 1.296206 5.301166\nCa V Ni O\n1 4 2 12\ndirect\n0.262673 0.341085 0.240033 Ca\n0.196787 0.643279 0.707097 V\n0.390279 0.865972 0.177326 V\n0.608693 0.204624 0.792941 V\n0.797696 0.411506 0.287520 V\n0.072932 0.102404 0.772327 Ni\n0.914639 0.942563 0.270233 Ni\n0.040196 0.834509 0.646684 O\n0.089186 0.402868 0.799289 O\n0.181885 0.018109 0.157028 O\n0.315912 0.651090 0.463308 O\n0.382963 0.067800 0.808489 O\n0.357917 0.654850 0.998468 O\n0.634096 0.376330 0.978650 O\n0.623371 0.936526 0.299542 O\n0.590336 0.335259 0.473243 O\n0.806686 0.059109 0.881985 O\n0.889295 0.652282 0.237023 O\n0.974458 0.219834 0.383814 O\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Ca",
"V",
"Ni",
"O"
],
"chemical_system": "Ca-Ni-O-V",
"density": 3.5882280657799606,
"density_atomic": 0.07421365890265041,
"volume": 256.0175617391834,
"volume_molar": 8.11459891487028,
"formula_full": "Ca1 V4 Ni2 O12",
"formula_reduced": "CaV4(NiO6)2",
"formula_anonymous": "AB2C4D12",
"energy": -150.29356428,
"energy_per_atom": -7.910187593684211,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -130.16756428,
"band_gap": 0.9981,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.6355704,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:32.084000Z",
"spacegroup": 1
},
{
"id": "mp-865903",
"created_at": "2022-09-04T14:48:23.800193Z",
"structure_string": "Yb1 Pm1 Pt2\n1.0\n0.000000 3.514141 3.514141\n3.514141 0.000000 3.514141\n3.514141 3.514141 0.000000\nYb Pm Pt\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Pm\n0.250000 0.250000 0.250000 Pt\n0.750000 0.750000 0.750000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"Pm",
"Pt"
],
"chemical_system": "Pm-Pt-Yb",
"density": 13.549472292249314,
"density_atomic": 0.04608636411666818,
"volume": 86.7935684809926,
"volume_molar": 13.067077161380922,
"formula_full": "Yb1 Pm1 Pt2",
"formula_reduced": "YbPmPt2",
"formula_anonymous": "ABC2",
"energy": -22.93929594,
"energy_per_atom": -5.734823985,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.93929594,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0071339,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:59.637000Z",
"spacegroup": 225
},
{
"id": "mp-1517380",
"created_at": "2022-09-04T14:48:23.809097Z",
"structure_string": "Ba1 Sm1 Eu1 W1 O6\n1.0\n0.000000 -4.281172 -4.281172\n4.281172 0.000000 -4.281172\n4.281172 -4.281172 0.000000\nBa Sm Eu W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Sm\n0.250000 0.250000 0.250000 Eu\n0.500000 0.500000 0.500000 W\n0.733184 0.266816 0.266816 O\n0.266816 0.733184 0.733184 O\n0.733184 0.266816 0.733184 O\n0.266816 0.733184 0.266816 O\n0.733184 0.733184 0.266816 O\n0.266816 0.266816 0.733184 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Sm",
"Eu",
"W",
"O"
],
"chemical_system": "Ba-Eu-O-Sm-W",
"density": 7.612972578356061,
"density_atomic": 0.06372091086615814,
"volume": 156.9343542656568,
"volume_molar": 9.450807714674918,
"formula_full": "Ba1 Sm1 Eu1 W1 O6",
"formula_reduced": "BaSmEuWO6",
"formula_anonymous": "ABCDE6",
"energy": -89.16879688,
"energy_per_atom": -8.916879688,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -80.60879688,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9999999,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:29.765000Z",
"spacegroup": 216
},
{
"id": "mp-1112064",
"created_at": "2022-09-04T14:48:23.809028Z",
"structure_string": "K2 Sb1 Au1 I6\n1.0\n0.000000 5.986240 5.986240\n5.986240 0.000000 5.986240\n5.986240 5.986240 0.000000\nK Sb Au I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Au\n0.746826 0.253174 0.253174 I\n0.253174 0.253174 0.746826 I\n0.253174 0.746826 0.746826 I\n0.253174 0.746826 0.253174 I\n0.746826 0.253174 0.746826 I\n0.746826 0.746826 0.253174 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Sb",
"Au",
"I"
],
"chemical_system": "Au-I-K-Sb",
"density": 4.4832868517783115,
"density_atomic": 0.02330814067819404,
"volume": 429.0346509430292,
"volume_molar": 25.837070588963883,
"formula_full": "K2 Sb1 Au1 I6",
"formula_reduced": "K2SbAuI6",
"formula_anonymous": "ABC2D6",
"energy": -27.75225298,
"energy_per_atom": -2.775225298,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.47825298,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0033505,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:14.807000Z",
"spacegroup": 225
},
{
"id": "mp-632286",
"created_at": "2022-09-04T14:48:23.896242Z",
"structure_string": "Sb2\n1.0\n4.343764 0.000000 0.000000\n0.000000 3.164641 0.000000\n0.000000 0.127652 4.405890\nSb\n2\ndirect\n0.750000 0.043352 0.763535 Sb\n0.250000 0.956648 0.236465 Sb\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Sb"
],
"chemical_system": "Sb",
"density": 6.676662298315999,
"density_atomic": 0.033022174918970935,
"volume": 60.56536266637659,
"volume_molar": 18.236656957868437,
"formula_full": "Sb2",
"formula_reduced": "Sb",
"formula_anonymous": "A",
"energy": -8.14023186,
"energy_per_atom": -4.07011593,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.14023186,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003521,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:55.648000Z",
"spacegroup": 11
},
{
"id": "mp-1246802",
"created_at": "2022-09-04T14:48:23.914726Z",
"structure_string": "Ni16 C4 N16\n1.0\n9.046919 0.000000 0.000000\n0.000000 2.773821 0.000000\n0.000000 0.000000 15.191196\nNi C N\n16 4 16\ndirect\n0.039335 0.250000 0.155985 Ni\n0.539335 0.250000 0.344015 Ni\n0.960665 0.750000 0.844015 Ni\n0.460665 0.750000 0.655985 Ni\n0.856426 0.250000 0.034273 Ni\n0.356426 0.250000 0.465727 Ni\n0.143574 0.750000 0.965727 Ni\n0.643574 0.750000 0.534273 Ni\n0.446270 0.250000 0.813049 Ni\n0.946270 0.250000 0.686951 Ni\n0.553730 0.750000 0.186951 Ni\n0.053730 0.750000 0.313049 Ni\n0.188365 0.250000 0.784130 Ni\n0.688365 0.250000 0.715870 Ni\n0.811635 0.750000 0.215870 Ni\n0.311635 0.750000 0.284130 Ni\n0.332684 0.250000 0.083453 C\n0.832684 0.250000 0.416547 C\n0.667316 0.750000 0.916547 C\n0.167316 0.750000 0.583453 C\n0.665937 0.250000 0.243353 N\n0.165937 0.250000 0.256647 N\n0.334063 0.750000 0.756647 N\n0.834063 0.750000 0.743353 N\n0.093132 0.250000 0.888887 N\n0.593132 0.250000 0.611113 N\n0.906868 0.750000 0.111113 N\n0.406868 0.750000 0.388887 N\n0.204603 0.250000 0.052678 N\n0.704603 0.250000 0.447322 N\n0.795397 0.750000 0.947322 N\n0.295397 0.750000 0.552678 N\n0.452005 0.250000 0.120305 N\n0.952005 0.250000 0.379695 N\n0.547995 0.750000 0.879695 N\n0.047995 0.750000 0.620305 N\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Ni",
"C",
"N"
],
"chemical_system": "C-N-Ni",
"density": 5.2760606440279645,
"density_atomic": 0.0944346554034892,
"volume": 381.2159831174632,
"volume_molar": 6.377045306375409,
"formula_full": "Ni16 C4 N16",
"formula_reduced": "Ni4CN4",
"formula_anonymous": "AB4C4",
"energy": -256.58997386,
"energy_per_atom": -7.127499273888889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -250.81397386,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000278,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:26.097000Z",
"spacegroup": 62
},
{
"id": "mp-1026406",
"created_at": "2022-09-04T14:48:24.029194Z",
"structure_string": "Hf1 Mg14 Bi1\n1.0\n6.420663 0.043117 0.000000\n-3.172991 5.495782 0.000000\n0.000000 0.000000 10.391868\nHf Mg Bi\n1 14 1\ndirect\n0.167025 0.833512 0.125000 Hf\n0.166284 0.333142 0.625000 Mg\n0.166157 0.833078 0.625000 Mg\n0.666993 0.335636 0.125000 Mg\n0.666339 0.333326 0.625000 Mg\n0.666993 0.831356 0.125000 Mg\n0.666339 0.833013 0.625000 Mg\n0.334894 0.162029 0.378096 Mg\n0.334894 0.162029 0.871904 Mg\n0.334894 0.672866 0.378096 Mg\n0.334894 0.672866 0.871904 Mg\n0.828470 0.164235 0.378455 Mg\n0.828470 0.164235 0.871545 Mg\n0.836837 0.668419 0.373727 Mg\n0.836837 0.668419 0.876273 Mg\n0.163680 0.331839 0.125000 Bi\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Hf",
"Mg",
"Bi"
],
"chemical_system": "Bi-Hf-Mg",
"density": 3.2827819484153165,
"density_atomic": 0.043464675006804,
"volume": 368.11502668535644,
"volume_molar": 13.855253166064829,
"formula_full": "Hf1 Mg14 Bi1",
"formula_reduced": "HfMg14Bi",
"formula_anonymous": "ABC14",
"energy": -36.02286329,
"energy_per_atom": -2.251428955625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.02286329,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:27.092000Z",
"spacegroup": 38
},
{
"id": "mp-1227417",
"created_at": "2022-09-04T14:48:23.818654Z",
"structure_string": "Ca4 Mg2 Ag6\n1.0\n3.006607 -5.207597 0.000000\n3.006607 5.207597 0.000000\n0.000000 0.000000 9.063194\nCa Mg Ag\n4 2 6\ndirect\n0.333333 0.666667 0.440742 Ca\n0.666667 0.333333 0.559258 Ca\n0.666667 0.333333 0.940742 Ca\n0.333333 0.666667 0.059258 Ca\n0.000000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.831051 0.168949 0.250000 Ag\n0.831051 0.662103 0.250000 Ag\n0.337897 0.168949 0.250000 Ag\n0.168949 0.831051 0.750000 Ag\n0.168949 0.337897 0.750000 Ag\n0.662103 0.831051 0.750000 Ag\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ca",
"Mg",
"Ag"
],
"chemical_system": "Ag-Ca-Mg",
"density": 5.009150929045491,
"density_atomic": 0.0422820408739521,
"volume": 283.80843857025394,
"volume_molar": 14.242786382882354,
"formula_full": "Ca4 Mg2 Ag6",
"formula_reduced": "Ca2MgAg3",
"formula_anonymous": "AB2C3",
"energy": -31.63127858,
"energy_per_atom": -2.635939881666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.63127858,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008987,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:54.491000Z",
"spacegroup": 194
},
{
"id": "mp-1212370",
"created_at": "2022-09-04T14:48:23.839878Z",
"structure_string": "Ho12 Ge8 Rh8\n1.0\n5.580697 0.000000 0.000000\n0.000000 7.843472 0.000000\n0.000000 0.000000 13.186739\nHo Ge Rh\n12 8 8\ndirect\n0.632596 0.251970 0.250000 Ho\n0.367404 0.748030 0.750000 Ho\n0.367404 0.751970 0.250000 Ho\n0.632596 0.248030 0.750000 Ho\n0.147220 0.393423 0.100550 Ho\n0.852780 0.606577 0.899450 Ho\n0.852780 0.606577 0.600550 Ho\n0.852780 0.893423 0.399450 Ho\n0.147220 0.393423 0.399450 Ho\n0.147220 0.106577 0.600550 Ho\n0.147220 0.106577 0.899450 Ho\n0.852780 0.893423 0.100550 Ho\n0.128875 0.108584 0.250000 Ge\n0.871125 0.891416 0.750000 Ge\n0.871125 0.608584 0.250000 Ge\n0.128875 0.391416 0.750000 Ge\n0.658811 0.250000 0.000000 Ge\n0.341189 0.750000 0.000000 Ge\n0.341189 0.750000 0.500000 Ge\n0.658811 0.250000 0.500000 Ge\n0.374638 0.038769 0.093630 Rh\n0.625363 0.961231 0.906370 Rh\n0.625363 0.961231 0.593630 Rh\n0.625363 0.538769 0.406370 Rh\n0.374638 0.038769 0.406370 Rh\n0.374638 0.461231 0.593630 Rh\n0.374638 0.461231 0.906370 Rh\n0.625363 0.538769 0.093630 Rh\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ho",
"Ge",
"Rh"
],
"chemical_system": "Ge-Ho-Rh",
"density": 9.733849952435268,
"density_atomic": 0.04850916811061826,
"volume": 577.2104756805967,
"volume_molar": 12.414438331053965,
"formula_full": "Ho12 Ge8 Rh8",
"formula_reduced": "Ho3(GeRh)2",
"formula_anonymous": "A2B2C3",
"energy": -176.94405927,
"energy_per_atom": -6.319430688214285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -176.94405927,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015554,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:07.649000Z",
"spacegroup": 57
}
]
}