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=-total_magnetization&page=10177",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-total_magnetization&page=10175",
"results": [
{
"id": "mp-555580",
"created_at": "2022-09-04T14:41:47.803101Z",
"structure_string": "Sr1 Zr4 P6 O24\n1.0\n8.276769 -4.428580 0.000000\n8.276769 4.428580 0.000000\n5.907206 0.000000 7.295351\nSr Zr P O\n1 4 6 24\ndirect\n0.500000 0.500000 0.500000 Sr\n0.856166 0.856166 0.856166 Zr\n0.143834 0.143834 0.143834 Zr\n0.350249 0.350249 0.350249 Zr\n0.649751 0.649751 0.649751 Zr\n0.043234 0.744907 0.468348 P\n0.744907 0.468348 0.043234 P\n0.468348 0.043234 0.744907 P\n0.531652 0.956766 0.255093 P\n0.956766 0.255093 0.531652 P\n0.255093 0.531652 0.956766 P\n0.312696 0.043627 0.931188 O\n0.298434 0.498685 0.111568 O\n0.743996 0.644880 0.019653 O\n0.498685 0.111568 0.298434 O\n0.230951 0.592928 0.412536 O\n0.501315 0.888432 0.701566 O\n0.687304 0.956373 0.068812 O\n0.019653 0.743996 0.644880 O\n0.412536 0.230951 0.592928 O\n0.407072 0.587464 0.769049 O\n0.980347 0.256004 0.355120 O\n0.769049 0.407072 0.587464 O\n0.888432 0.701566 0.501315 O\n0.701566 0.501315 0.888432 O\n0.111568 0.298434 0.498685 O\n0.956373 0.068812 0.687304 O\n0.592928 0.412536 0.230951 O\n0.355120 0.980347 0.256004 O\n0.068812 0.687304 0.956373 O\n0.043627 0.931188 0.312696 O\n0.587464 0.769049 0.407072 O\n0.256004 0.355120 0.980347 O\n0.931188 0.312696 0.043627 O\n0.644880 0.019653 0.743996 O\n",
"nsites": 35,
"nelements": 4,
"elements": [
"Sr",
"Zr",
"P",
"O"
],
"chemical_system": "O-P-Sr-Zr",
"density": 3.1742761546373774,
"density_atomic": 0.06544350151907899,
"volume": 534.8124594127397,
"volume_molar": 9.202045459386587,
"formula_full": "Sr1 Zr4 P6 O24",
"formula_reduced": "SrZr4(PO4)6",
"formula_anonymous": "AB4C6D24",
"energy": -301.17674207999994,
"energy_per_atom": -8.605049773714285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -284.68874208,
"band_gap": 4.0517,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001788,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:26.978000Z",
"spacegroup": 148
},
{
"id": "mp-1173247",
"created_at": "2022-09-04T14:45:27.241953Z",
"structure_string": "Sr3 La1 Cu2 Hg1 Bi1 O10\n1.0\n3.828077 -0.030114 0.045446\n0.004081 5.436794 5.509323\n-0.141357 -3.514433 8.923439\nSr La Cu Hg Bi O\n3 1 2 1 1 10\ndirect\n0.496679 0.104224 0.297690 Sr\n0.498165 0.601322 0.293629 Sr\n0.497412 0.898402 0.698274 Sr\n0.499857 0.401598 0.698369 La\n0.997909 0.245529 0.507951 Cu\n0.997576 0.754579 0.493569 Cu\n0.995328 0.497430 0.003692 Hg\n0.957666 0.996547 0.999840 Bi\n0.003566 0.393950 0.235600 O\n0.996813 0.493273 0.516147 O\n0.000966 0.875437 0.245696 O\n0.996396 0.003194 0.494046 O\n0.533828 0.193459 0.988883 O\n0.498025 0.251585 0.510144 O\n0.497580 0.743312 0.501535 O\n0.524344 0.818676 0.994885 O\n0.003119 0.132968 0.749083 O\n0.004769 0.594516 0.770966 O\n",
"nsites": 18,
"nelements": 6,
"elements": [
"Sr",
"La",
"Cu",
"Hg",
"Bi",
"O"
],
"chemical_system": "Bi-Cu-Hg-La-O-Sr",
"density": 7.018048455481988,
"density_atomic": 0.06925810409549965,
"volume": 259.89738291391706,
"volume_molar": 8.695214572573487,
"formula_full": "Sr3 La1 Cu2 Hg1 Bi1 O10",
"formula_reduced": "Sr3LaCu2HgBiO10",
"formula_anonymous": "ABCD2E3F10",
"energy": -111.53334510000002,
"energy_per_atom": -6.196296950000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -104.6633451,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001787,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:07.082000Z",
"spacegroup": 1
},
{
"id": "mp-1009017",
"created_at": "2022-09-04T14:41:52.413743Z",
"structure_string": "Ho1 Sb1\n1.0\n3.792089 0.000000 0.000000\n0.000000 3.792089 0.000000\n0.000000 0.000000 3.792089\nHo Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Ho\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ho",
"Sb"
],
"chemical_system": "Ho-Sb",
"density": 8.730247619270392,
"density_atomic": 0.036677052822062434,
"volume": 54.53000844159799,
"volume_molar": 16.419369323964567,
"formula_full": "Ho1 Sb1",
"formula_reduced": "HoSb",
"formula_anonymous": "AB",
"energy": -10.42532669,
"energy_per_atom": -5.212663345,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.23332669,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001787,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:31.493000Z",
"spacegroup": 221
},
{
"id": "mp-1216145",
"created_at": "2022-09-04T14:41:03.478608Z",
"structure_string": "Y2 Fe4 Si9\n1.0\n1.969812 -3.411815 0.000000\n1.969812 3.411815 0.000000\n0.000000 0.000000 16.091544\nY Fe Si\n2 4 9\ndirect\n0.666667 0.333333 0.241744 Y\n0.333333 0.666667 0.758256 Y\n0.666667 0.333333 0.588706 Fe\n0.333333 0.666667 0.411294 Fe\n0.333333 0.666667 0.100891 Fe\n0.666667 0.333333 0.899109 Fe\n0.000000 0.000000 0.649275 Si\n0.000000 0.000000 0.350725 Si\n0.000000 0.000000 0.125967 Si\n0.000000 0.000000 0.874033 Si\n0.666667 0.333333 0.435741 Si\n0.333333 0.666667 0.564259 Si\n0.333333 0.666667 0.957066 Si\n0.666667 0.333333 0.042934 Si\n0.000000 0.000000 0.500000 Si\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Y",
"Fe",
"Si"
],
"chemical_system": "Fe-Si-Y",
"density": 5.020686610642109,
"density_atomic": 0.06935109030531801,
"volume": 216.29075958233005,
"volume_molar": 8.683555995280738,
"formula_full": "Y2 Fe4 Si9",
"formula_reduced": "Y2Fe4Si9",
"formula_anonymous": "A2B4C9",
"energy": -100.09330308,
"energy_per_atom": -6.672886872,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -100.73230308,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001787,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:12.776000Z",
"spacegroup": 164
},
{
"id": "mp-976595",
"created_at": "2022-09-04T14:42:25.672544Z",
"structure_string": "Li1 Lu2 In1\n1.0\n0.000000 3.651474 3.651474\n3.651474 0.000000 3.651474\n3.651474 3.651474 0.000000\nLi Lu In\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.250000 0.250000 0.250000 Lu\n0.750000 0.750000 0.750000 Lu\n0.500000 0.500000 0.500000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Lu",
"In"
],
"chemical_system": "In-Li-Lu",
"density": 8.044033955914541,
"density_atomic": 0.04107951975329515,
"volume": 97.37212177800944,
"volume_molar": 14.65971558617586,
"formula_full": "Li1 Lu2 In1",
"formula_reduced": "LiLu2In",
"formula_anonymous": "ABC2",
"energy": -14.61426144,
"energy_per_atom": -3.65356536,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.61426144,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001786,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:47.370000Z",
"spacegroup": 225
},
{
"id": "mp-561200",
"created_at": "2022-09-04T14:42:42.338156Z",
"structure_string": "Na6 Mn2 F12\n1.0\n5.756842 0.000000 0.000000\n0.000000 5.562756 0.000000\n0.000000 5.311870 8.270108\nNa Mn F\n6 2 12\ndirect\n0.445102 0.241956 0.751602 Na\n0.945102 0.758044 0.748398 Na\n0.554898 0.758044 0.248398 Na\n0.054898 0.241956 0.251602 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.500000 0.500000 Na\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.779349 0.906311 0.432720 F\n0.279349 0.093689 0.067280 F\n0.220651 0.093689 0.567280 F\n0.720651 0.906311 0.932720 F\n0.671959 0.222975 0.558634 F\n0.171959 0.777025 0.941366 F\n0.328041 0.777025 0.441366 F\n0.828041 0.222975 0.058634 F\n0.938147 0.645650 0.236359 F\n0.438147 0.354350 0.263641 F\n0.061853 0.354350 0.763641 F\n0.561853 0.645650 0.736359 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Na",
"Mn",
"F"
],
"chemical_system": "F-Mn-Na",
"density": 2.9832109597771934,
"density_atomic": 0.07551695910687514,
"volume": 264.84117258608177,
"volume_molar": 7.974554101784187,
"formula_full": "Na6 Mn2 F12",
"formula_reduced": "Na3MnF6",
"formula_anonymous": "AB3C6",
"energy": -104.76615171999998,
"energy_per_atom": -5.2383075859999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -95.88615172000002,
"band_gap": 0.0872999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001786,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:00.568000Z",
"spacegroup": 14
},
{
"id": "mp-570703",
"created_at": "2022-09-04T14:42:24.604231Z",
"structure_string": "Ca4 Al8 Cl32\n1.0\n-5.835307 5.835307 9.957796\n5.835307 -5.835307 9.957796\n5.835307 5.835307 -9.957796\nCa Al Cl\n4 8 32\ndirect\n0.000000 0.000000 0.000000 Ca\n0.750000 0.250000 0.500000 Ca\n0.250000 0.750000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.599327 0.875000 0.224327 Al\n0.125000 0.849327 0.224327 Al\n0.125000 0.349327 0.724327 Al\n0.650673 0.375000 0.775673 Al\n0.625000 0.900673 0.775673 Al\n0.099327 0.875000 0.724327 Al\n0.150673 0.375000 0.275673 Al\n0.625000 0.400673 0.275673 Al\n0.567614 0.206135 0.198949 Cl\n0.118665 0.817614 0.861479 Cl\n0.742814 0.881335 0.698949 Cl\n0.254440 0.225118 0.218942 Cl\n0.754440 0.535498 0.029323 Cl\n0.785498 0.504440 0.529323 Cl\n0.182386 0.043865 0.301051 Cl\n0.956135 0.257186 0.138521 Cl\n0.507186 0.706135 0.638521 Cl\n0.274882 0.245560 0.781058 Cl\n0.006175 0.035498 0.781058 Cl\n0.995560 0.714502 0.470677 Cl\n0.964502 0.745560 0.970677 Cl\n0.131335 0.492814 0.198949 Cl\n0.242814 0.543865 0.861479 Cl\n0.618665 0.757186 0.301051 Cl\n0.743825 0.214502 0.718942 Cl\n0.293865 0.932386 0.801051 Cl\n0.456135 0.317614 0.698949 Cl\n0.007186 0.368665 0.801051 Cl\n0.285498 0.756175 0.281058 Cl\n0.464502 0.493825 0.218942 Cl\n0.631335 0.432386 0.638521 Cl\n0.682386 0.381335 0.138521 Cl\n0.243825 0.524882 0.529323 Cl\n0.495560 0.024882 0.281058 Cl\n0.067614 0.868665 0.361479 Cl\n0.475118 0.004440 0.718942 Cl\n0.506175 0.725118 0.970677 Cl\n0.975118 0.256175 0.470677 Cl\n0.793865 0.992814 0.361479 Cl\n0.774882 0.993825 0.029323 Cl\n",
"nsites": 44,
"nelements": 3,
"elements": [
"Ca",
"Al",
"Cl"
],
"chemical_system": "Al-Ca-Cl",
"density": 1.8495466120991821,
"density_atomic": 0.0324415832656202,
"volume": 1356.2839902030544,
"volume_molar": 18.56302977167558,
"formula_full": "Ca4 Al8 Cl32",
"formula_reduced": "Ca(AlCl4)2",
"formula_anonymous": "AB2C8",
"energy": -195.09482306,
"energy_per_atom": -4.4339732513636365,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -175.44682306,
"band_gap": 5.4214,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001785,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:45.121000Z",
"spacegroup": 142
},
{
"id": "mp-23977",
"created_at": "2022-09-04T14:45:11.064428Z",
"structure_string": "H4 S28 N4\n1.0\n8.125470 0.000000 0.000000\n0.000000 8.500350 0.000000\n0.000000 0.000000 13.873829\nH S N\n4 28 4\ndirect\n0.706621 0.526340 0.750000 H\n0.206621 0.973660 0.250000 H\n0.793379 0.026340 0.750000 H\n0.293379 0.473660 0.250000 H\n0.007685 0.250952 0.394383 S\n0.507685 0.249048 0.605617 S\n0.492315 0.750952 0.105617 S\n0.992315 0.749048 0.894383 S\n0.992315 0.749048 0.605617 S\n0.492315 0.750952 0.394383 S\n0.507685 0.249048 0.894383 S\n0.007685 0.250952 0.105617 S\n0.857192 0.058297 0.373530 S\n0.357192 0.441703 0.626470 S\n0.642808 0.558297 0.126470 S\n0.142808 0.941703 0.873530 S\n0.142808 0.941703 0.626470 S\n0.642808 0.558297 0.373530 S\n0.357192 0.441703 0.873530 S\n0.857192 0.058297 0.126470 S\n0.727960 0.113829 0.250000 S\n0.227960 0.386171 0.750000 S\n0.772040 0.613829 0.250000 S\n0.272040 0.886171 0.750000 S\n0.247004 0.172324 0.140465 S\n0.747004 0.327676 0.859535 S\n0.252996 0.672324 0.359535 S\n0.752996 0.827676 0.640465 S\n0.752996 0.827676 0.859535 S\n0.252996 0.672324 0.140465 S\n0.747004 0.327676 0.640465 S\n0.247004 0.172324 0.359535 S\n0.756374 0.910957 0.750000 N\n0.256374 0.589043 0.250000 N\n0.743626 0.410957 0.750000 N\n0.243626 0.089043 0.250000 N\n",
"nsites": 36,
"nelements": 3,
"elements": [
"H",
"S",
"N"
],
"chemical_system": "H-N-S",
"density": 1.6598846681244068,
"density_atomic": 0.0375682412527907,
"volume": 958.2561972428185,
"volume_molar": 16.029871399829382,
"formula_full": "H4 S28 N4",
"formula_reduced": "HS7N",
"formula_anonymous": "ABC7",
"energy": -160.80248734999998,
"energy_per_atom": -4.466735759722222,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -159.35848735,
"band_gap": 2.0186,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001785,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:52.487000Z",
"spacegroup": 62
},
{
"id": "mp-1222610",
"created_at": "2022-09-04T14:48:07.439800Z",
"structure_string": "Li2 Mg1 Zn1\n1.0\n0.000000 3.277003 3.277003\n3.277003 0.000000 3.277003\n3.277003 3.277003 0.000000\nLi Mg Zn\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 Li\n0.750000 0.750000 0.750000 Mg\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Zn"
],
"chemical_system": "Li-Mg-Zn",
"density": 2.4441709153279954,
"density_atomic": 0.05683285570365594,
"volume": 70.38182316329898,
"volume_molar": 10.596231150870373,
"formula_full": "Li2 Mg1 Zn1",
"formula_reduced": "Li2MgZn",
"formula_anonymous": "ABC2",
"energy": -7.20313255,
"energy_per_atom": -1.8007831375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.20313255,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001784,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:31.798000Z",
"spacegroup": 216
},
{
"id": "mp-28914",
"created_at": "2022-09-04T14:40:21.169525Z",
"structure_string": "Cd32 P16 Br24\n1.0\n12.661631 0.000000 0.000000\n0.000000 12.661631 0.000000\n0.000000 0.000000 12.661631\nCd P Br\n32 16 24\ndirect\n0.036124 0.995502 0.254507 Cd\n0.254507 0.036124 0.995502 Cd\n0.995502 0.254507 0.036124 Cd\n0.504498 0.745493 0.536124 Cd\n0.754507 0.463876 0.004498 Cd\n0.004498 0.754507 0.463876 Cd\n0.245493 0.963876 0.495502 Cd\n0.745493 0.536124 0.504498 Cd\n0.495502 0.245493 0.963876 Cd\n0.536124 0.504498 0.745493 Cd\n0.963876 0.495502 0.245493 Cd\n0.463876 0.004498 0.754507 Cd\n0.963876 0.004498 0.745493 Cd\n0.745493 0.963876 0.004498 Cd\n0.004498 0.745493 0.963876 Cd\n0.495502 0.254507 0.463876 Cd\n0.245493 0.536124 0.995502 Cd\n0.995502 0.245493 0.536124 Cd\n0.754507 0.036124 0.504498 Cd\n0.254507 0.463876 0.495502 Cd\n0.504498 0.754507 0.036124 Cd\n0.463876 0.495502 0.254507 Cd\n0.036124 0.504498 0.754507 Cd\n0.536124 0.995502 0.245493 Cd\n0.223494 0.223494 0.223494 Cd\n0.276506 0.776506 0.723494 Cd\n0.723494 0.276506 0.776506 Cd\n0.776506 0.723494 0.276506 Cd\n0.776506 0.776506 0.776506 Cd\n0.723494 0.223494 0.276506 Cd\n0.276506 0.723494 0.223494 Cd\n0.223494 0.276506 0.723494 Cd\n0.109331 0.109331 0.109331 P\n0.390669 0.890669 0.609331 P\n0.609331 0.390669 0.890669 P\n0.890669 0.609331 0.390669 P\n0.890669 0.890669 0.890669 P\n0.609331 0.109331 0.390669 P\n0.390669 0.609331 0.109331 P\n0.109331 0.390669 0.609331 P\n0.449785 0.449785 0.449785 P\n0.050215 0.550215 0.949785 P\n0.949785 0.050215 0.550215 P\n0.550215 0.949785 0.050215 P\n0.550215 0.550215 0.550215 P\n0.949785 0.449785 0.050215 P\n0.050215 0.949785 0.449785 P\n0.449785 0.050215 0.949785 P\n0.183889 0.434269 0.269086 Br\n0.269086 0.183889 0.434269 Br\n0.434269 0.269086 0.183889 Br\n0.065731 0.730914 0.683889 Br\n0.769086 0.316111 0.565731 Br\n0.565731 0.769086 0.316111 Br\n0.230914 0.816111 0.934269 Br\n0.730914 0.683889 0.065731 Br\n0.934269 0.230914 0.816111 Br\n0.683889 0.065731 0.730914 Br\n0.816111 0.934269 0.230914 Br\n0.316111 0.565731 0.769086 Br\n0.816111 0.565731 0.730914 Br\n0.730914 0.816111 0.565731 Br\n0.565731 0.730914 0.816111 Br\n0.934269 0.269086 0.316111 Br\n0.230914 0.683889 0.434269 Br\n0.434269 0.230914 0.683889 Br\n0.769086 0.183889 0.065731 Br\n0.269086 0.316111 0.934269 Br\n0.065731 0.769086 0.183889 Br\n0.316111 0.934269 0.269086 Br\n0.183889 0.065731 0.769086 Br\n0.683889 0.434269 0.230914 Br\n",
"nsites": 72,
"nelements": 3,
"elements": [
"Cd",
"P",
"Br"
],
"chemical_system": "Br-Cd-P",
"density": 4.916834071619671,
"density_atomic": 0.035470191931085776,
"volume": 2029.8734255480533,
"volume_molar": 16.978032630046886,
"formula_full": "Cd32 P16 Br24",
"formula_reduced": "Cd4P2Br3",
"formula_anonymous": "A2B3C4",
"energy": -204.26758476,
"energy_per_atom": -2.837049788333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -191.45158476,
"band_gap": 1.3992999999999998,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001784,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:49.298000Z",
"spacegroup": 205
},
{
"id": "mp-1206704",
"created_at": "2022-09-04T14:48:30.282174Z",
"structure_string": "Mo1 Pd2\n1.0\n-1.389347 1.983321 4.152180\n1.389347 -1.983321 4.152180\n1.389347 1.983321 -4.152180\nMo Pd\n1 2\ndirect\n0.000000 0.000000 0.000000 Mo\n0.334524 0.334524 0.000000 Pd\n0.665476 0.665476 0.000000 Pd\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mo",
"Pd"
],
"chemical_system": "Mo-Pd",
"density": 11.203619706497975,
"density_atomic": 0.06555130667532562,
"volume": 45.765678094853904,
"volume_molar": 9.186911848801962,
"formula_full": "Mo1 Pd2",
"formula_reduced": "MoPd2",
"formula_anonymous": "AB2",
"energy": -21.51559154,
"energy_per_atom": -7.171863846666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.51559154,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001784,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:50.268000Z",
"spacegroup": 71
},
{
"id": "mp-1187005",
"created_at": "2022-09-04T14:48:31.336678Z",
"structure_string": "Si2 Ag6\n1.0\n2.961703 -5.129820 0.000000\n2.961703 5.129820 0.000000\n0.000000 0.000000 4.569080\nSi Ag\n2 6\ndirect\n0.333333 0.666667 0.750000 Si\n0.666667 0.333333 0.250000 Si\n0.170801 0.341602 0.250000 Ag\n0.658398 0.829199 0.250000 Ag\n0.170801 0.829199 0.250000 Ag\n0.829199 0.658398 0.750000 Ag\n0.341602 0.170801 0.750000 Ag\n0.829199 0.170801 0.750000 Ag\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Si",
"Ag"
],
"chemical_system": "Ag-Si",
"density": 8.412727985054694,
"density_atomic": 0.05762190305510273,
"volume": 138.83609488478282,
"volume_molar": 10.451131324560976,
"formula_full": "Si2 Ag6",
"formula_reduced": "SiAg3",
"formula_anonymous": "AB3",
"energy": -26.30203555,
"energy_per_atom": -3.28775444375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.44403555,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001783,
"is_theoretical": true,
"updated_at": "2021-11-28T01:40:03.292000Z",
"spacegroup": 194
}
]
}