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=-band_gap&page=10226",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-band_gap&page=10224",
"results": [
{
"id": "mp-1186423",
"created_at": "2022-09-04T14:47:40.230820Z",
"structure_string": "Pa1 Ti1\n1.0\n3.073445 0.000666 0.000063\n-1.536146 2.662219 -0.000049\n0.000104 -0.000034 5.133464\nPa Ti\n1 1\ndirect\n0.666670 0.333336 0.750002 Pa\n0.333331 0.666663 0.249997 Ti\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pa",
"Ti"
],
"chemical_system": "Pa-Ti",
"density": 11.024732281454947,
"density_atomic": 0.04760975552721539,
"volume": 42.00819722455265,
"volume_molar": 12.648963838004871,
"formula_full": "Pa1 Ti1",
"formula_reduced": "PaTi",
"formula_anonymous": "AB",
"energy": -17.22382054,
"energy_per_atom": -8.61191027,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.22382054,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003677,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:15.447000Z",
"spacegroup": 187
},
{
"id": "mp-569739",
"created_at": "2022-09-04T14:47:40.271878Z",
"structure_string": "Er4 Al36 Fe16 Si24\n1.0\n8.645808 0.000000 0.000000\n0.000000 8.645808 0.000000\n0.000000 0.000000 15.200465\nEr Al Fe Si\n4 36 16 24\ndirect\n0.000000 0.500000 0.585464 Er\n0.000000 0.500000 0.085464 Er\n0.500000 0.000000 0.914536 Er\n0.500000 0.000000 0.414536 Er\n0.182884 0.500000 0.410958 Al\n0.754052 0.202196 0.830951 Al\n0.844485 0.000000 0.397997 Al\n0.317116 0.000000 0.089042 Al\n0.202196 0.754052 0.169049 Al\n0.500000 0.344485 0.897997 Al\n0.000000 0.844485 0.602003 Al\n0.155515 0.000000 0.397997 Al\n0.000000 0.000000 0.771914 Al\n0.745948 0.702196 0.669049 Al\n0.245948 0.202196 0.830951 Al\n0.202196 0.245948 0.169049 Al\n0.500000 0.655515 0.897997 Al\n0.245948 0.797804 0.830951 Al\n0.702196 0.745948 0.330951 Al\n0.000000 0.155515 0.602003 Al\n0.500000 0.500000 0.271914 Al\n0.254052 0.297804 0.669049 Al\n0.297804 0.254052 0.330951 Al\n0.254052 0.702196 0.669049 Al\n0.797804 0.245948 0.169049 Al\n0.344485 0.500000 0.102003 Al\n0.754052 0.797804 0.830951 Al\n0.000000 0.682884 0.910958 Al\n0.817116 0.500000 0.410958 Al\n0.500000 0.500000 0.728086 Al\n0.000000 0.000000 0.228086 Al\n0.797804 0.754052 0.169049 Al\n0.297804 0.745948 0.330951 Al\n0.000000 0.317116 0.910958 Al\n0.745948 0.297804 0.669049 Al\n0.702196 0.254052 0.330951 Al\n0.655515 0.500000 0.102003 Al\n0.500000 0.182884 0.589042 Al\n0.500000 0.817116 0.589042 Al\n0.682884 0.000000 0.089042 Al\n0.722402 0.000000 0.250105 Fe\n0.244881 0.244881 0.000000 Fe\n0.500000 0.222402 0.750105 Fe\n0.244881 0.755119 0.000000 Fe\n0.000000 0.722402 0.749895 Fe\n0.000000 0.277598 0.749895 Fe\n0.222402 0.500000 0.249895 Fe\n0.744881 0.255119 0.500000 Fe\n0.755119 0.244881 0.000000 Fe\n0.255119 0.255119 0.500000 Fe\n0.255119 0.744881 0.500000 Fe\n0.500000 0.777598 0.750105 Fe\n0.755119 0.755119 0.000000 Fe\n0.777598 0.500000 0.249895 Fe\n0.744881 0.744881 0.500000 Fe\n0.277598 0.000000 0.250105 Fe\n0.761089 0.500000 0.938617 Si\n0.738911 0.000000 0.561383 Si\n0.155963 0.000000 0.943563 Si\n0.361703 0.000000 0.720584 Si\n0.138297 0.500000 0.779416 Si\n0.500000 0.761089 0.061383 Si\n0.655963 0.500000 0.556437 Si\n0.638297 0.000000 0.720584 Si\n0.844037 0.000000 0.943563 Si\n0.000000 0.844037 0.056437 Si\n0.861703 0.500000 0.779416 Si\n0.500000 0.238911 0.061383 Si\n0.000000 0.261089 0.438617 Si\n0.000000 0.361703 0.279416 Si\n0.500000 0.138297 0.220584 Si\n0.344037 0.500000 0.556437 Si\n0.000000 0.738911 0.438617 Si\n0.000000 0.155963 0.056437 Si\n0.500000 0.861703 0.220584 Si\n0.261089 0.000000 0.561383 Si\n0.000000 0.638297 0.279416 Si\n0.500000 0.655963 0.443563 Si\n0.500000 0.344037 0.443563 Si\n0.238911 0.500000 0.938617 Si\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Er",
"Al",
"Fe",
"Si"
],
"chemical_system": "Al-Er-Fe-Si",
"density": 4.688217437317645,
"density_atomic": 0.07040798892474345,
"volume": 1136.2346975356604,
"volume_molar": 8.553206606194715,
"formula_full": "Er4 Al36 Fe16 Si24",
"formula_reduced": "ErAl9(Fe2Si3)2",
"formula_anonymous": "AB4C6D9",
"energy": -448.67827286,
"energy_per_atom": -5.60847841075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -450.38227286,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0655331,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:16.102000Z",
"spacegroup": 137
},
{
"id": "mp-631500",
"created_at": "2022-09-04T14:47:40.539994Z",
"structure_string": "Ba1 Hf1 Mg2\n1.0\n0.000000 3.873669 3.873669\n3.873669 0.000000 3.873669\n3.873669 3.873669 0.000000\nBa Hf Mg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.750000 0.750000 0.750000 Hf\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Mg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Hf",
"Mg"
],
"chemical_system": "Ba-Hf-Mg",
"density": 5.205496076757697,
"density_atomic": 0.03440824100376305,
"volume": 116.25122015282736,
"volume_molar": 17.502030282051876,
"formula_full": "Ba1 Hf1 Mg2",
"formula_reduced": "BaHfMg2",
"formula_anonymous": "ABC2",
"energy": -12.79160825,
"energy_per_atom": -3.1979020625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.79160825,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001011,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:20.225000Z",
"spacegroup": 216
},
{
"id": "mp-636095",
"created_at": "2022-09-04T14:47:40.575322Z",
"structure_string": "Zr3 Cd2\n1.0\n5.606269 0.000000 0.000000\n0.000000 5.606269 0.000000\n0.000000 0.000000 5.235516\nZr Cd\n3 2\ndirect\n0.500000 0.500000 0.000000 Zr\n0.000000 0.500000 0.000000 Zr\n0.500000 0.000000 0.000000 Zr\n0.000000 0.000000 0.000000 Cd\n0.000000 0.000000 0.500000 Cd\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Zr",
"Cd"
],
"chemical_system": "Cd-Zr",
"density": 5.030390237955574,
"density_atomic": 0.030385238439346533,
"volume": 164.55358775547361,
"volume_molar": 19.81929736052949,
"formula_full": "Zr3 Cd2",
"formula_reduced": "Zr3Cd2",
"formula_anonymous": "A2B3",
"energy": -21.62798749,
"energy_per_atom": -4.325597498,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.62798749,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006249,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:21.950000Z",
"spacegroup": 123
},
{
"id": "mp-1183970",
"created_at": "2022-09-04T14:47:40.704573Z",
"structure_string": "Cu3 W1\n1.0\n0.000000 2.957898 2.957898\n2.957898 0.000000 2.957898\n2.957898 2.957898 0.000000\nCu W\n3 1\ndirect\n0.250000 0.250000 0.250000 Cu\n0.750000 0.750000 0.750000 Cu\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 W\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cu",
"W"
],
"chemical_system": "Cu-W",
"density": 12.014226886676479,
"density_atomic": 0.07728236687778231,
"volume": 51.75824915308007,
"volume_molar": 7.792386547274974,
"formula_full": "Cu3 W1",
"formula_reduced": "Cu3W",
"formula_anonymous": "AB3",
"energy": -23.49362301,
"energy_per_atom": -5.8734057525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.49362301,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0033597,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:23.594000Z",
"spacegroup": 225
},
{
"id": "mp-17703",
"created_at": "2022-09-04T14:47:40.842177Z",
"structure_string": "Ba2 Ho2 Co8 O14\n1.0\n3.191291 -5.527478 0.000000\n3.191291 5.527478 0.000000\n0.000000 0.000000 10.404876\nBa Ho Co O\n2 2 8 14\ndirect\n0.333333 0.666667 0.977251 Ba\n0.666667 0.333333 0.477251 Ba\n0.333333 0.666667 0.373517 Ho\n0.666667 0.333333 0.873517 Ho\n0.830475 0.169525 0.183701 Co\n0.660949 0.830475 0.683701 Co\n0.169525 0.339051 0.683701 Co\n0.830475 0.660949 0.183701 Co\n0.339051 0.169525 0.183701 Co\n0.169525 0.830475 0.683701 Co\n0.000000 0.000000 0.938858 Co\n0.000000 0.000000 0.438858 Co\n0.832198 0.167802 0.999143 O\n0.664396 0.832198 0.499143 O\n0.167802 0.335604 0.499143 O\n0.832198 0.664396 0.999143 O\n0.335604 0.167802 0.999143 O\n0.167802 0.832198 0.499143 O\n0.000000 0.000000 0.740389 O\n0.000000 0.000000 0.240389 O\n0.507985 0.492015 0.256484 O\n0.015969 0.507985 0.756484 O\n0.492015 0.984031 0.756484 O\n0.507985 0.015969 0.256484 O\n0.492015 0.507985 0.756484 O\n0.984031 0.492015 0.256484 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Ba",
"Ho",
"Co",
"O"
],
"chemical_system": "Ba-Co-Ho-O",
"density": 5.880614279308127,
"density_atomic": 0.07082931036618965,
"volume": 367.07967175706244,
"volume_molar": 8.502328667137027,
"formula_full": "Ba2 Ho2 Co8 O14",
"formula_reduced": "BaHoCo4O7",
"formula_anonymous": "ABC4D7",
"energy": -192.7647684,
"energy_per_atom": -7.414029553846154,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -170.0427684,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 26.0001219,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:15.465000Z",
"spacegroup": 186
},
{
"id": "mp-1235849",
"created_at": "2022-09-04T14:47:42.145846Z",
"structure_string": "Li1 Pr2 Zn2 P2 O2\n1.0\n3.966921 -0.072075 9.653908\n1.847645 3.511106 9.653908\n-0.121860 -0.072075 10.436453\nLi Pr Zn P O\n1 2 2 2 2\ndirect\n0.500000 0.500000 0.500000 Li\n0.617948 0.617948 0.617948 Pr\n0.382052 0.382052 0.382052 Pr\n0.202791 0.202791 0.202791 Zn\n0.797209 0.797209 0.797209 Zn\n0.117066 0.117066 0.117066 P\n0.882934 0.882934 0.882934 P\n0.695559 0.695559 0.695559 O\n0.304441 0.304441 0.304441 O\n",
"nsites": 9,
"nelements": 5,
"elements": [
"Li",
"Pr",
"Zn",
"P",
"O"
],
"chemical_system": "Li-O-P-Pr-Zn",
"density": 5.593755578649202,
"density_atomic": 0.05903900197584243,
"volume": 152.44160129404997,
"volume_molar": 10.200275340806302,
"formula_full": "Li1 Pr2 Zn2 P2 O2",
"formula_reduced": "LiPr2Zn2(PO)2",
"formula_anonymous": "AB2C2D2E2",
"energy": -50.19926182,
"energy_per_atom": -5.577695757777778,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.82526182,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.7e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:22.019000Z",
"spacegroup": 166
},
{
"id": "mp-1209777",
"created_at": "2022-09-04T14:47:40.158665Z",
"structure_string": "Pr12 P4 Br12\n1.0\n-5.979719 5.979719 5.979719\n5.979719 -5.979719 5.979719\n5.979719 5.979719 -5.979719\nPr P Br\n12 4 12\ndirect\n0.473962 0.486981 0.236981 Pr\n0.750000 0.236981 0.263019 Pr\n0.750000 0.013019 0.486981 Pr\n0.236981 0.473962 0.486981 Pr\n0.263019 0.750000 0.236981 Pr\n0.026038 0.263019 0.013019 Pr\n0.013019 0.026038 0.263019 Pr\n0.486981 0.750000 0.013019 Pr\n0.486981 0.236981 0.473962 Pr\n0.013019 0.486981 0.750000 Pr\n0.263019 0.013019 0.026038 Pr\n0.236981 0.263019 0.750000 Pr\n0.250000 0.250000 0.250000 P\n0.500000 0.000000 0.250000 P\n0.000000 0.250000 0.500000 P\n0.250000 0.500000 0.000000 P\n0.250000 0.757262 0.742738 Br\n0.514523 0.507262 0.757262 Br\n0.985477 0.742738 0.992738 Br\n0.742738 0.250000 0.757262 Br\n0.992738 0.985477 0.742738 Br\n0.250000 0.992738 0.507262 Br\n0.757262 0.514523 0.507262 Br\n0.507262 0.250000 0.992738 Br\n0.757262 0.742738 0.250000 Br\n0.742738 0.992738 0.985477 Br\n0.992738 0.507262 0.250000 Br\n0.507262 0.757262 0.514523 Br\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Pr",
"P",
"Br"
],
"chemical_system": "Br-P-Pr",
"density": 5.385128404875504,
"density_atomic": 0.03273826893197322,
"volume": 855.2681895973528,
"volume_molar": 18.394805090377236,
"formula_full": "Pr12 P4 Br12",
"formula_reduced": "Pr3PBr3",
"formula_anonymous": "AB3C3",
"energy": -151.79231219,
"energy_per_atom": -5.421154006785714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -145.38431219,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0072803,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:12.211000Z",
"spacegroup": 214
},
{
"id": "mp-1113179",
"created_at": "2022-09-04T14:47:42.230562Z",
"structure_string": "Cs2 Hg1 Bi1 F6\n1.0\n0.000000 4.896641 4.896641\n4.896641 0.000000 4.896641\n4.896641 4.896641 0.000000\nCs Hg Bi F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Bi\n0.768559 0.231441 0.231441 F\n0.231441 0.231441 0.768559 F\n0.231441 0.768559 0.768559 F\n0.231441 0.768559 0.231441 F\n0.768559 0.231441 0.768559 F\n0.768559 0.768559 0.231441 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Hg",
"Bi",
"F"
],
"chemical_system": "Bi-Cs-F-Hg",
"density": 5.58220617539888,
"density_atomic": 0.042586819836223797,
"volume": 234.814434100903,
"volume_molar": 14.140855746353818,
"formula_full": "Cs2 Hg1 Bi1 F6",
"formula_reduced": "Cs2HgBiF6",
"formula_anonymous": "ABC2D6",
"energy": -42.53140409,
"energy_per_atom": -4.253140409,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.75940409,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1515607,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:20.212000Z",
"spacegroup": 225
},
{
"id": "mp-30285",
"created_at": "2022-09-04T14:47:40.158576Z",
"structure_string": "Sb16 Mo8 S8\n1.0\n3.230414 18.514387 0.000000\n-3.230414 18.514387 0.000000\n0.000000 0.576257 6.589017\nSb Mo S\n16 8 8\ndirect\n0.990186 0.990186 0.794840 Sb\n0.009814 0.009814 0.205160 Sb\n0.490123 0.490123 0.794852 Sb\n0.509877 0.509877 0.205148 Sb\n0.913869 0.913869 0.922473 Sb\n0.086131 0.086131 0.077527 Sb\n0.413346 0.912772 0.923719 Sb\n0.087228 0.586654 0.076281 Sb\n0.586654 0.087228 0.076281 Sb\n0.912772 0.413346 0.923719 Sb\n0.413824 0.413824 0.922436 Sb\n0.586176 0.586176 0.077564 Sb\n0.512668 0.967376 0.793517 Sb\n0.032624 0.487332 0.206483 Sb\n0.487332 0.032624 0.206483 Sb\n0.967376 0.512668 0.793517 Sb\n0.877884 0.877884 0.329124 Mo\n0.122116 0.122116 0.670876 Mo\n0.377856 0.878241 0.329568 Mo\n0.121759 0.622144 0.670432 Mo\n0.622144 0.121759 0.670432 Mo\n0.878241 0.377856 0.329568 Mo\n0.377929 0.377929 0.328619 Mo\n0.622071 0.622071 0.671381 Mo\n0.328383 0.328383 0.587337 S\n0.671617 0.671617 0.412663 S\n0.328403 0.828531 0.587939 S\n0.171469 0.671597 0.412061 S\n0.671597 0.171469 0.412061 S\n0.828531 0.328403 0.587939 S\n0.828320 0.828320 0.587497 S\n0.171680 0.171680 0.412503 S\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Sb",
"Mo",
"S"
],
"chemical_system": "Mo-S-Sb",
"density": 6.261941159515847,
"density_atomic": 0.040600542204668764,
"volume": 788.1668140954097,
"volume_molar": 14.832660927635343,
"formula_full": "Sb16 Mo8 S8",
"formula_reduced": "Sb2MoS",
"formula_anonymous": "ABC2",
"energy": -203.35374141,
"energy_per_atom": -6.3548044190625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -196.25774141,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0026271,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:17.554000Z",
"spacegroup": 12
},
{
"id": "mp-1096888",
"created_at": "2022-09-04T14:47:40.224036Z",
"structure_string": "Cr4 N8\n1.0\n4.014285 3.662763 0.000000\n-4.014285 3.662763 0.000000\n0.000000 1.632949 7.144694\nCr N\n4 8\ndirect\n0.014468 0.013061 0.766111 Cr\n0.986939 0.985532 0.233889 Cr\n0.183104 0.436019 0.422388 Cr\n0.563981 0.816896 0.577612 Cr\n0.450962 0.549038 0.500000 N\n0.960443 0.039557 0.000000 N\n0.309643 0.930937 0.699629 N\n0.069063 0.690357 0.300371 N\n0.987086 0.296246 0.627032 N\n0.703754 0.012914 0.372968 N\n0.210978 0.208490 0.279617 N\n0.791510 0.789022 0.720383 N\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Cr",
"N"
],
"chemical_system": "Cr-N",
"density": 2.52941445047222,
"density_atomic": 0.05711505458621456,
"volume": 210.10222413227547,
"volume_molar": 10.543876397613598,
"formula_full": "Cr4 N8",
"formula_reduced": "CrN2",
"formula_anonymous": "AB2",
"energy": -105.52266786,
"energy_per_atom": -8.793555655,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -102.63466786,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000248,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:14.501000Z",
"spacegroup": 5
},
{
"id": "mp-1018629",
"created_at": "2022-09-04T14:47:40.618868Z",
"structure_string": "Y1 Pd3 C1\n1.0\n4.299661 0.000000 0.000000\n0.000000 4.299661 0.000000\n0.000000 0.000000 4.299661\nY Pd C\n1 3 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.500000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n0.500000 0.500000 0.500000 C\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Y",
"Pd",
"C"
],
"chemical_system": "C-Pd-Y",
"density": 8.777650030307342,
"density_atomic": 0.06290242047396082,
"volume": 79.48819715244197,
"volume_molar": 9.573782240212735,
"formula_full": "Y1 Pd3 C1",
"formula_reduced": "YPd3C",
"formula_anonymous": "ABC3",
"energy": -32.49133769,
"energy_per_atom": -6.498267538,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.49133769,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0060285,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:11.796000Z",
"spacegroup": 221
}
]
}