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=density&page=10223",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=density&page=10221",
"results": [
{
"id": "mp-1206340",
"created_at": "2022-09-04T14:48:12.829721Z",
"structure_string": "Er2 Mn4 Si2 C2\n1.0\n1.838805 -5.281035 0.000000\n1.838805 5.281035 0.000000\n0.000000 0.000000 6.976341\nEr Mn Si C\n2 4 2 2\ndirect\n0.543603 0.456397 0.250000 Er\n0.456397 0.543603 0.750000 Er\n0.832128 0.167872 0.061175 Mn\n0.167872 0.832128 0.938825 Mn\n0.167872 0.832128 0.561175 Mn\n0.832128 0.167872 0.438825 Mn\n0.264392 0.735608 0.250000 Si\n0.735608 0.264392 0.750000 Si\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Er",
"Mn",
"Si",
"C"
],
"chemical_system": "C-Er-Mn-Si",
"density": 7.775757221942736,
"density_atomic": 0.07380530546389044,
"volume": 135.4916145546277,
"volume_molar": 8.159495746476326,
"formula_full": "Er2 Mn4 Si2 C2",
"formula_reduced": "ErMn2SiC",
"formula_anonymous": "ABCD2",
"energy": -80.18906322000001,
"energy_per_atom": -8.018906322000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -80.33106322,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.2138828,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:42.544000Z",
"spacegroup": 63
},
{
"id": "mp-756834",
"created_at": "2022-09-04T14:43:36.462500Z",
"structure_string": "Ho4 Cr4 O12\n1.0\n5.289693 0.000000 0.000000\n0.000000 5.597496 0.000000\n0.000000 0.000000 7.643002\nHo Cr O\n4 4 12\ndirect\n0.519388 0.568461 0.250000 Ho\n0.980612 0.068461 0.250000 Ho\n0.480612 0.431539 0.750000 Ho\n0.019388 0.931539 0.750000 Ho\n0.000000 0.500000 0.000000 Cr\n0.500000 0.000000 0.500000 Cr\n0.000000 0.500000 0.500000 Cr\n0.500000 0.000000 0.000000 Cr\n0.384830 0.957564 0.250000 O\n0.115170 0.457564 0.250000 O\n0.615170 0.042436 0.750000 O\n0.884830 0.542436 0.750000 O\n0.809236 0.804566 0.058941 O\n0.690764 0.304566 0.441059 O\n0.190764 0.195434 0.558941 O\n0.309236 0.695434 0.941059 O\n0.190764 0.195434 0.941059 O\n0.309236 0.695434 0.558941 O\n0.809236 0.804566 0.441059 O\n0.690764 0.304566 0.058941 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ho",
"Cr",
"O"
],
"chemical_system": "Cr-Ho-O",
"density": 7.775765885564702,
"density_atomic": 0.08837751035720844,
"volume": 226.3019168469789,
"volume_molar": 6.814109987551611,
"formula_full": "Ho4 Cr4 O12",
"formula_reduced": "HoCrO3",
"formula_anonymous": "ABC3",
"energy": -180.91300627000004,
"energy_per_atom": -9.045650313500001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -164.67300627,
"band_gap": 2.2162,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0006089,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:23.109000Z",
"spacegroup": 62
},
{
"id": "mp-28812",
"created_at": "2022-09-04T14:43:39.404636Z",
"structure_string": "Ag20 Bi4 O16\n1.0\n9.014001 0.000000 0.000000\n0.000000 6.039216 0.000000\n0.000000 5.793580 12.746371\nAg Bi O\n20 4 16\ndirect\n0.729598 0.877874 0.875139 Ag\n0.770402 0.877874 0.375139 Ag\n0.500000 0.000000 0.000000 Ag\n0.000000 0.000000 0.500000 Ag\n0.138643 0.617275 0.352786 Ag\n0.638643 0.382725 0.147214 Ag\n0.861357 0.382725 0.647214 Ag\n0.361357 0.617275 0.852786 Ag\n0.992342 0.714544 0.753928 Ag\n0.492342 0.285456 0.746072 Ag\n0.007658 0.285456 0.246072 Ag\n0.507658 0.714544 0.253928 Ag\n0.000000 0.500000 0.000000 Ag\n0.500000 0.500000 0.500000 Ag\n0.268011 0.614865 0.125708 Ag\n0.768011 0.385135 0.374292 Ag\n0.731989 0.385135 0.874292 Ag\n0.231989 0.614865 0.625708 Ag\n0.270402 0.122126 0.124861 Ag\n0.229598 0.122126 0.624861 Ag\n0.379285 0.094523 0.377718 Bi\n0.879285 0.905477 0.122282 Bi\n0.620715 0.905477 0.622282 Bi\n0.120715 0.094523 0.877718 Bi\n0.362326 0.030994 0.871613 O\n0.862326 0.969006 0.628387 O\n0.637674 0.969006 0.128387 O\n0.137674 0.030994 0.371613 O\n0.904925 0.697451 0.304920 O\n0.404925 0.302549 0.195080 O\n0.135726 0.930904 0.060191 O\n0.635726 0.069096 0.439809 O\n0.864274 0.069096 0.939809 O\n0.364274 0.930904 0.560191 O\n0.135167 0.456824 0.879187 O\n0.635167 0.543176 0.620813 O\n0.864833 0.543176 0.120813 O\n0.364833 0.456824 0.379187 O\n0.095075 0.302549 0.695080 O\n0.595075 0.697451 0.804920 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Ag",
"Bi",
"O"
],
"chemical_system": "Ag-Bi-O",
"density": 7.775905612703431,
"density_atomic": 0.05764680889201991,
"volume": 693.8805593719036,
"volume_molar": 10.44661599791285,
"formula_full": "Ag20 Bi4 O16",
"formula_reduced": "Ag5BiO4",
"formula_anonymous": "AB4C5",
"energy": -177.92784528,
"energy_per_atom": -4.4481961320000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -166.93584528,
"band_gap": 1.459,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.00791,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:15.848000Z",
"spacegroup": 14
},
{
"id": "mp-1188208",
"created_at": "2022-09-04T14:39:42.271538Z",
"structure_string": "Zr10 Cu2 Sb6\n1.0\n4.320376 -7.483110 0.000000\n4.320376 7.483110 0.000000\n0.000000 0.000000 5.845213\nZr Cu Sb\n10 2 6\ndirect\n0.666667 0.333333 0.000000 Zr\n0.333333 0.666667 0.000000 Zr\n0.333333 0.666667 0.500000 Zr\n0.666667 0.333333 0.500000 Zr\n0.734735 0.734735 0.750000 Zr\n0.265265 0.000000 0.750000 Zr\n0.000000 0.265265 0.750000 Zr\n0.265265 0.265265 0.250000 Zr\n0.734735 0.000000 0.250000 Zr\n0.000000 0.734735 0.250000 Zr\n0.000000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.384843 0.384843 0.750000 Sb\n0.615157 0.000000 0.750000 Sb\n0.000000 0.615157 0.750000 Sb\n0.615157 0.615157 0.250000 Sb\n0.384843 0.000000 0.250000 Sb\n0.000000 0.384843 0.250000 Sb\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Zr",
"Cu",
"Sb"
],
"chemical_system": "Cu-Sb-Zr",
"density": 7.776100275755477,
"density_atomic": 0.04762538436988424,
"volume": 377.9497055646283,
"volume_molar": 12.644812928393037,
"formula_full": "Zr10 Cu2 Sb6",
"formula_reduced": "Zr5CuSb3",
"formula_anonymous": "AB3C5",
"energy": -131.92454095,
"energy_per_atom": -7.329141163888888,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -130.77254095,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2491441,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:32.002000Z",
"spacegroup": 193
},
{
"id": "mp-33533",
"created_at": "2022-09-04T14:46:37.856734Z",
"structure_string": "La4 U2 Te8\n1.0\n-4.793461 4.793461 4.768773\n4.793461 -4.793461 4.768773\n4.793461 4.793461 -4.768773\nLa U Te\n4 2 8\ndirect\n0.499104 0.875000 0.124104 La\n0.750896 0.375000 0.875896 La\n0.125000 0.249104 0.624104 La\n0.625000 0.500896 0.375896 La\n0.250000 0.750000 0.500000 U\n0.000000 0.000000 0.000000 U\n0.530916 0.631303 0.749729 Te\n0.881574 0.781187 0.250271 Te\n0.719084 0.968813 0.600386 Te\n0.368697 0.118426 0.899614 Te\n0.881303 0.280916 0.249729 Te\n0.368426 0.118697 0.399614 Te\n0.031187 0.631574 0.750271 Te\n0.218813 0.469084 0.100386 Te\n",
"nsites": 14,
"nelements": 3,
"elements": [
"La",
"U",
"Te"
],
"chemical_system": "La-Te-U",
"density": 7.776119573369278,
"density_atomic": 0.03194206564627441,
"volume": 438.29350784747703,
"volume_molar": 18.85332284608337,
"formula_full": "La4 U2 Te8",
"formula_reduced": "La2UTe4",
"formula_anonymous": "AB2C4",
"energy": -88.35205368000001,
"energy_per_atom": -6.310860977142858,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -84.97605368,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.8442652,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:47.040000Z",
"spacegroup": 122
},
{
"id": "mp-1221661",
"created_at": "2022-09-04T14:43:10.374122Z",
"structure_string": "Mn2 Co2 B2\n1.0\n0.000000 3.526210 3.607259\n2.093162 0.000000 3.607259\n2.093162 3.526210 0.000000\nMn Co B\n2 2 2\ndirect\n0.338163 0.661837 0.338163 Mn\n0.661837 0.338163 0.661837 Mn\n0.166659 0.166659 0.833341 Co\n0.833341 0.833341 0.166659 Co\n0.750000 0.750000 0.750000 B\n0.250000 0.250000 0.250000 B\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Mn",
"Co",
"B"
],
"chemical_system": "B-Co-Mn",
"density": 7.77616296232707,
"density_atomic": 0.11267638746628712,
"volume": 53.24984351131425,
"volume_molar": 5.344634217885119,
"formula_full": "Mn2 Co2 B2",
"formula_reduced": "MnCoB",
"formula_anonymous": "ABC",
"energy": -47.73731404,
"energy_per_atom": -7.956219006666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.73731404,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.4989232,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:16.459000Z",
"spacegroup": 69
},
{
"id": "mp-1200594",
"created_at": "2022-09-04T14:41:58.770329Z",
"structure_string": "Nd46 Mg8 Pt14\n1.0\n5.068784 -8.779392 0.000000\n5.068784 8.779392 0.000000\n0.000000 0.000000 22.938996\nNd Mg Pt\n46 8 14\ndirect\n0.129417 0.870583 0.363958 Nd\n0.741166 0.870583 0.363958 Nd\n0.129417 0.258834 0.363958 Nd\n0.870583 0.129417 0.863958 Nd\n0.258834 0.129417 0.863958 Nd\n0.870583 0.741166 0.863958 Nd\n0.201767 0.798233 0.216495 Nd\n0.596466 0.798233 0.216495 Nd\n0.201767 0.403534 0.216495 Nd\n0.798233 0.201767 0.716495 Nd\n0.403534 0.201767 0.716495 Nd\n0.798233 0.596466 0.716495 Nd\n0.206482 0.793518 0.053389 Nd\n0.587037 0.793518 0.053389 Nd\n0.206482 0.412963 0.053389 Nd\n0.793518 0.206482 0.553389 Nd\n0.412963 0.206482 0.553389 Nd\n0.793518 0.587037 0.553389 Nd\n0.212062 0.787938 0.508528 Nd\n0.575875 0.787938 0.508528 Nd\n0.212062 0.424125 0.508528 Nd\n0.787938 0.212062 0.008528 Nd\n0.424125 0.212062 0.008528 Nd\n0.787938 0.575875 0.008528 Nd\n0.538775 0.461225 0.414522 Nd\n0.922450 0.461225 0.414522 Nd\n0.538775 0.077550 0.414522 Nd\n0.461225 0.538775 0.914522 Nd\n0.077550 0.538775 0.914522 Nd\n0.461225 0.922450 0.914522 Nd\n0.544173 0.455827 0.142386 Nd\n0.911653 0.455827 0.142386 Nd\n0.544173 0.088347 0.142386 Nd\n0.455827 0.544173 0.642386 Nd\n0.088347 0.544173 0.642386 Nd\n0.455827 0.911653 0.642386 Nd\n0.333333 0.666667 0.357328 Nd\n0.666667 0.333333 0.857328 Nd\n0.000000 0.000000 0.500835 Nd\n0.000000 0.000000 0.000835 Nd\n0.793239 0.206761 0.278884 Nd\n0.413523 0.206761 0.278884 Nd\n0.793239 0.586477 0.278884 Nd\n0.206761 0.793239 0.778884 Nd\n0.586477 0.793239 0.778884 Nd\n0.206761 0.413523 0.778884 Nd\n0.892997 0.107003 0.135655 Mg\n0.214005 0.107003 0.135655 Mg\n0.892997 0.785995 0.135655 Mg\n0.107003 0.892997 0.635655 Mg\n0.785995 0.892997 0.635655 Mg\n0.107003 0.214005 0.635655 Mg\n0.000000 0.000000 0.249741 Mg\n0.000000 0.000000 0.749741 Mg\n0.477486 0.522514 0.289712 Pt\n0.045029 0.522514 0.289712 Pt\n0.477486 0.954971 0.289712 Pt\n0.522514 0.477486 0.789712 Pt\n0.954971 0.477486 0.789712 Pt\n0.522514 0.045029 0.789712 Pt\n0.856790 0.143210 0.434740 Pt\n0.286421 0.143210 0.434740 Pt\n0.856790 0.713579 0.434740 Pt\n0.143210 0.856790 0.934740 Pt\n0.713579 0.856790 0.934740 Pt\n0.143210 0.286421 0.934740 Pt\n0.333333 0.666667 0.137285 Pt\n0.666667 0.333333 0.637285 Pt\n",
"nsites": 68,
"nelements": 3,
"elements": [
"Nd",
"Mg",
"Pt"
],
"chemical_system": "Mg-Nd-Pt",
"density": 7.776216475428823,
"density_atomic": 0.03330705897047361,
"volume": 2041.6092594750364,
"volume_molar": 18.080674025702994,
"formula_full": "Nd46 Mg8 Pt14",
"formula_reduced": "Nd23Mg4Pt7",
"formula_anonymous": "A4B7C23",
"energy": -353.22159512,
"energy_per_atom": -5.194435222352942,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -353.22159512,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.5870092,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:32.732000Z",
"spacegroup": 186
},
{
"id": "mp-672292",
"created_at": "2022-09-04T14:39:30.895376Z",
"structure_string": "Gd6 Se8\n1.0\n-4.381098 4.381098 4.381098\n4.381098 -4.381098 4.381098\n4.381098 4.381098 -4.381098\nGd Se\n6 8\ndirect\n0.250000 0.125000 0.875000 Gd\n0.125000 0.875000 0.250000 Gd\n0.750000 0.375000 0.625000 Gd\n0.875000 0.250000 0.125000 Gd\n0.625000 0.750000 0.375000 Gd\n0.375000 0.625000 0.750000 Gd\n0.147953 0.500000 0.000000 Se\n0.352047 0.352047 0.352047 Se\n0.647953 0.500000 0.000000 Se\n0.500000 0.000000 0.647953 Se\n0.500000 0.000000 0.147953 Se\n0.000000 0.647953 0.500000 Se\n0.852047 0.852047 0.852047 Se\n0.000000 0.147953 0.500000 Se\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Gd",
"Se"
],
"chemical_system": "Gd-Se",
"density": 7.776253167530366,
"density_atomic": 0.04162163539851058,
"volume": 336.3635250262412,
"volume_molar": 14.468774958841482,
"formula_full": "Gd6 Se8",
"formula_reduced": "Gd3Se4",
"formula_anonymous": "A3B4",
"energy": -142.37511784,
"energy_per_atom": -10.169651274285714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -138.59911784,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 40.5669713,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:26.152000Z",
"spacegroup": 220
},
{
"id": "mp-1219270",
"created_at": "2022-09-04T14:47:55.588376Z",
"structure_string": "Sm2 V1 Fe16 N2\n1.0\n4.295578 4.874464 0.000000\n-4.295578 4.874464 0.000000\n0.000000 0.979273 6.492246\nSm V Fe N\n2 1 16 2\ndirect\n0.658659 0.658659 0.658484 Sm\n0.346870 0.346870 0.347098 Sm\n0.091349 0.091349 0.092462 V\n0.000696 0.714438 0.281076 Fe\n0.282113 0.996216 0.715384 Fe\n0.707796 0.291633 0.999326 Fe\n0.714438 0.000696 0.281076 Fe\n0.291633 0.707796 0.999326 Fe\n0.996216 0.282113 0.715384 Fe\n0.856408 0.344161 0.339083 Fe\n0.344161 0.856408 0.339083 Fe\n0.342844 0.342844 0.855128 Fe\n0.145470 0.655066 0.661122 Fe\n0.655066 0.145470 0.661122 Fe\n0.657577 0.657577 0.143832 Fe\n0.499698 0.000901 0.999612 Fe\n0.000901 0.499698 0.999612 Fe\n0.999021 0.999021 0.500965 Fe\n0.908599 0.908599 0.909648 Fe\n0.000072 0.500410 0.500588 N\n0.500410 0.000072 0.500588 N\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Sm",
"V",
"Fe",
"N"
],
"chemical_system": "Fe-N-Sm-V",
"density": 7.7762559723485225,
"density_atomic": 0.07724063844558231,
"volume": 271.8776077284104,
"volume_molar": 7.796596301107387,
"formula_full": "Sm2 V1 Fe16 N2",
"formula_reduced": "Sm2V(Fe8N)2",
"formula_anonymous": "AB2C2D16",
"energy": -174.84874558,
"energy_per_atom": -8.326130741904763,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -174.12674558,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 33.7363267,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:11Z",
"spacegroup": 8
},
{
"id": "mp-1226449",
"created_at": "2022-09-04T14:39:21.375903Z",
"structure_string": "Co4 Si2 Ge2\n1.0\n4.535789 0.000000 0.000000\n0.000000 4.534066 0.000000\n0.000000 0.056922 4.539347\nCo Si Ge\n4 2 2\ndirect\n0.638211 0.356412 0.603950 Co\n0.138211 0.643588 0.396050 Co\n0.359337 0.135601 0.117671 Co\n0.859337 0.864399 0.882329 Co\n0.660015 0.843666 0.412378 Si\n0.160015 0.156334 0.587622 Si\n0.342436 0.661374 0.905801 Ge\n0.842436 0.338626 0.094199 Ge\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Co",
"Si",
"Ge"
],
"chemical_system": "Co-Ge-Si",
"density": 7.776408646832902,
"density_atomic": 0.08569508684826786,
"volume": 93.35424344880867,
"volume_molar": 7.0274049324004215,
"formula_full": "Co4 Si2 Ge2",
"formula_reduced": "Co2SiGe",
"formula_anonymous": "ABC2",
"energy": -51.49378817,
"energy_per_atom": -6.43672352125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -51.63578817,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.2e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.134000Z",
"spacegroup": 4
},
{
"id": "mp-1224472",
"created_at": "2022-09-04T14:39:12.286747Z",
"structure_string": "Ho30 Si18 C2\n1.0\n7.288790 -12.624554 0.000000\n7.288790 12.624554 0.000000\n0.000000 0.000000 6.355475\nHo Si C\n30 18 2\ndirect\n0.074162 0.148324 0.769710 Ho\n0.074162 0.925838 0.769710 Ho\n0.851676 0.925838 0.769710 Ho\n0.925838 0.851676 0.269710 Ho\n0.925838 0.074162 0.269710 Ho\n0.148324 0.074162 0.269710 Ho\n0.251717 0.503435 0.239449 Ho\n0.251717 0.748283 0.239449 Ho\n0.496565 0.748283 0.239449 Ho\n0.748283 0.496565 0.739449 Ho\n0.748283 0.251717 0.739449 Ho\n0.503435 0.251717 0.739449 Ho\n0.415552 0.831104 0.761319 Ho\n0.415552 0.584448 0.761319 Ho\n0.168896 0.584448 0.761319 Ho\n0.584448 0.168896 0.261319 Ho\n0.584448 0.415552 0.261319 Ho\n0.831104 0.415552 0.261319 Ho\n0.012648 0.338327 0.503998 Ho\n0.325679 0.987352 0.503998 Ho\n0.661673 0.674321 0.503998 Ho\n0.325679 0.338327 0.503998 Ho\n0.661673 0.987352 0.503998 Ho\n0.012648 0.674321 0.503998 Ho\n0.987352 0.661673 0.003998 Ho\n0.674321 0.012648 0.003998 Ho\n0.338327 0.325679 0.003998 Ho\n0.674321 0.661673 0.003998 Ho\n0.338327 0.012648 0.003998 Ho\n0.987352 0.325679 0.003998 Ho\n0.136029 0.272058 0.234111 Si\n0.136029 0.863971 0.234111 Si\n0.727942 0.863971 0.234111 Si\n0.863971 0.727942 0.734111 Si\n0.863971 0.136029 0.734111 Si\n0.272058 0.136029 0.734111 Si\n0.201766 0.403532 0.783675 Si\n0.201766 0.798234 0.783675 Si\n0.596468 0.798234 0.783675 Si\n0.798234 0.596468 0.283675 Si\n0.798234 0.201766 0.283675 Si\n0.403532 0.201766 0.283675 Si\n0.465717 0.931435 0.243200 Si\n0.465717 0.534283 0.243200 Si\n0.068565 0.534283 0.243200 Si\n0.534283 0.068565 0.743200 Si\n0.534283 0.465717 0.743200 Si\n0.931435 0.465717 0.743200 Si\n0.000000 0.000000 0.016616 C\n0.000000 0.000000 0.516616 C\n",
"nsites": 50,
"nelements": 3,
"elements": [
"Ho",
"Si",
"C"
],
"chemical_system": "C-Ho-Si",
"density": 7.776418281946062,
"density_atomic": 0.042748463723854484,
"volume": 1169.6326755269808,
"volume_molar": 14.087385219037772,
"formula_full": "Ho30 Si18 C2",
"formula_reduced": "Ho15Si9C",
"formula_anonymous": "AB9C15",
"energy": -285.76085023,
"energy_per_atom": -5.7152170046,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -287.03885023,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0196151,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.109000Z",
"spacegroup": 186
},
{
"id": "mp-865402",
"created_at": "2022-09-04T14:43:08.109841Z",
"structure_string": "Tm3 Al3 Cu3\n1.0\n3.497611 -6.058040 0.000000\n3.497611 6.058040 0.000000\n0.000000 0.000000 3.922185\nTm Al Cu\n3 3 3\ndirect\n0.585714 0.000000 0.000000 Tm\n0.000000 0.585714 0.000000 Tm\n0.414286 0.414286 0.000000 Tm\n0.238035 0.000000 0.500000 Al\n0.000000 0.238035 0.500000 Al\n0.761965 0.761965 0.500000 Al\n0.000000 0.000000 0.000000 Cu\n0.333333 0.666667 0.500000 Cu\n0.666667 0.333333 0.500000 Cu\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Tm",
"Al",
"Cu"
],
"chemical_system": "Al-Cu-Tm",
"density": 7.776460672559204,
"density_atomic": 0.054147797569733445,
"volume": 166.21174644101603,
"volume_molar": 11.121672589258084,
"formula_full": "Tm3 Al3 Cu3",
"formula_reduced": "TmAlCu",
"formula_anonymous": "ABC",
"energy": -41.17854677,
"energy_per_atom": -4.575394085555555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.17854677,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004506,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:05.192000Z",
"spacegroup": 189
}
]
}