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=volume_molar&page=10136",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=volume_molar&page=10134",
"results": [
{
"id": "mp-1217050",
"created_at": "2022-09-04T14:46:28.263533Z",
"structure_string": "U2 In3 Sn3\n1.0\n4.640162 0.000000 0.000000\n0.000000 4.733865 0.000000\n0.000000 0.000000 9.114879\nU In Sn\n2 3 3\ndirect\n0.000000 0.000000 0.244799 U\n0.000000 0.000000 0.755201 U\n0.500000 0.500000 0.252333 In\n0.500000 0.500000 0.747667 In\n0.000000 0.500000 0.500000 In\n0.000000 0.500000 0.000000 Sn\n0.500000 0.000000 0.500000 Sn\n0.500000 0.000000 0.000000 Sn\n",
"nsites": 8,
"nelements": 3,
"elements": [
"U",
"In",
"Sn"
],
"chemical_system": "In-Sn-U",
"density": 9.75873349588873,
"density_atomic": 0.039956741820975195,
"volume": 200.21652505711614,
"volume_molar": 15.071651204650255,
"formula_full": "U2 In3 Sn3",
"formula_reduced": "U2(InSn)3",
"formula_anonymous": "A2B3C3",
"energy": -43.57368582,
"energy_per_atom": -5.4467107275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.57368582,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.7339947,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:41.689000Z",
"spacegroup": 47
},
{
"id": "mp-1223378",
"created_at": "2022-09-04T14:48:12.637098Z",
"structure_string": "K1 Na4 Cl5\n1.0\n2.062270 6.867783 0.000000\n-2.062270 6.867783 0.000000\n0.000000 5.011102 8.835306\nK Na Cl\n1 4 5\ndirect\n0.000000 0.000000 0.000000 K\n0.599638 0.599638 0.597649 Na\n0.198954 0.198954 0.203894 Na\n0.801046 0.801046 0.796106 Na\n0.400362 0.400362 0.402351 Na\n0.207634 0.207634 0.687541 Cl\n0.792366 0.792366 0.312459 Cl\n0.391217 0.391217 0.890075 Cl\n0.000000 0.000000 0.500000 Cl\n0.608783 0.608783 0.109925 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Na",
"Cl"
],
"chemical_system": "Cl-K-Na",
"density": 2.045693021332773,
"density_atomic": 0.039956397085243706,
"volume": 250.2728156061173,
"volume_molar": 15.071781239815632,
"formula_full": "K1 Na4 Cl5",
"formula_reduced": "KNa4Cl5",
"formula_anonymous": "AB4C5",
"energy": -36.86735809,
"energy_per_atom": -3.6867358090000004,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.79735809,
"band_gap": 4.9206,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:35.315000Z",
"spacegroup": 12
},
{
"id": "mp-15257",
"created_at": "2022-09-04T14:43:49.441529Z",
"structure_string": "Tb8 Se12\n1.0\n4.049965 0.000000 0.000000\n0.000000 11.024193 0.000000\n0.000000 0.000000 11.211615\nTb Se\n8 12\ndirect\n0.250000 0.187374 0.487380 Tb\n0.750000 0.812626 0.512620 Tb\n0.750000 0.687374 0.012620 Tb\n0.250000 0.312626 0.987380 Tb\n0.250000 0.998631 0.806210 Tb\n0.750000 0.001369 0.193790 Tb\n0.750000 0.498631 0.693790 Tb\n0.250000 0.501369 0.306210 Tb\n0.250000 0.304148 0.726818 Se\n0.750000 0.695852 0.273182 Se\n0.750000 0.804148 0.773182 Se\n0.250000 0.195852 0.226818 Se\n0.250000 0.625386 0.544467 Se\n0.750000 0.374614 0.455533 Se\n0.750000 0.125386 0.955533 Se\n0.250000 0.874614 0.044467 Se\n0.250000 0.556018 0.880958 Se\n0.750000 0.443982 0.119042 Se\n0.750000 0.056018 0.619042 Se\n0.250000 0.943982 0.380958 Se\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Tb",
"Se"
],
"chemical_system": "Se-Tb",
"density": 7.360800316355577,
"density_atomic": 0.039954319840838574,
"volume": 500.5716548215987,
"volume_molar": 15.072564829009,
"formula_full": "Tb8 Se12",
"formula_reduced": "Tb2Se3",
"formula_anonymous": "A2B3",
"energy": -122.12547885,
"energy_per_atom": -6.1062739425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -116.46147885000002,
"band_gap": 0.3411000000000004,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0020571,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:25.415000Z",
"spacegroup": 62
},
{
"id": "mp-866004",
"created_at": "2022-09-04T14:39:28.628355Z",
"structure_string": "Er2 In1 Ag1\n1.0\n0.000000 3.685453 3.685453\n3.685453 0.000000 3.685453\n3.685453 3.685453 0.000000\nEr In Ag\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Er\n0.250000 0.250000 0.250000 Er\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Er",
"In",
"Ag"
],
"chemical_system": "Ag-Er-In",
"density": 9.241891208123992,
"density_atomic": 0.039953733129192245,
"volume": 100.1158011209069,
"volume_molar": 15.072786166256677,
"formula_full": "Er2 In1 Ag1",
"formula_reduced": "Er2InAg",
"formula_anonymous": "ABC2",
"energy": -16.31273941,
"energy_per_atom": -4.0781848525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.31273941,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006482,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.589000Z",
"spacegroup": 225
},
{
"id": "mp-570022",
"created_at": "2022-09-04T14:41:17.895843Z",
"structure_string": "Ho10 Co4 Bi2\n1.0\n-3.756856 3.756856 7.093406\n3.756856 -3.756856 7.093406\n3.756856 3.756856 -7.093406\nHo Co Bi\n10 4 2\ndirect\n0.712190 0.534334 0.500000 Ho\n0.465666 0.965666 0.177856 Ho\n0.787810 0.287810 0.822144 Ho\n0.534334 0.034334 0.822144 Ho\n0.000000 0.000000 0.000000 Ho\n0.034334 0.212190 0.500000 Ho\n0.287810 0.465666 0.500000 Ho\n0.212190 0.712190 0.177856 Ho\n0.965666 0.787810 0.500000 Ho\n0.500000 0.500000 0.000000 Ho\n0.133806 0.633806 0.767611 Co\n0.866194 0.366194 0.232389 Co\n0.633806 0.866194 0.500000 Co\n0.366194 0.133806 0.500000 Co\n0.250000 0.250000 0.000000 Bi\n0.750000 0.750000 0.000000 Bi\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ho",
"Co",
"Bi"
],
"chemical_system": "Bi-Co-Ho",
"density": 9.549453561554152,
"density_atomic": 0.03995361455860031,
"volume": 400.46439294078544,
"volume_molar": 15.072830897858502,
"formula_full": "Ho10 Co4 Bi2",
"formula_reduced": "Ho5Co2Bi",
"formula_anonymous": "AB2C5",
"energy": -87.69139593,
"energy_per_atom": -5.480712245625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -87.69139593,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.332521,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:25.857000Z",
"spacegroup": 140
},
{
"id": "mp-756868",
"created_at": "2022-09-04T14:47:08.555552Z",
"structure_string": "Rb6 Dy2 O6\n1.0\n6.255421 3.882746 0.000000\n-6.255421 3.882746 0.000000\n0.000000 1.143237 7.213508\nRb Dy O\n6 2 6\ndirect\n0.636623 0.636623 0.643158 Rb\n0.205944 0.794056 0.500000 Rb\n0.794056 0.205944 0.500000 Rb\n0.740013 0.259987 0.000000 Rb\n0.259987 0.740013 0.000000 Rb\n0.363377 0.363377 0.356842 Rb\n0.822219 0.822219 0.149596 Dy\n0.177781 0.177781 0.850404 Dy\n0.897065 0.897065 0.844430 O\n0.831091 0.553237 0.269070 O\n0.553237 0.831091 0.269070 O\n0.168909 0.446763 0.730930 O\n0.446763 0.168909 0.730930 O\n0.102935 0.102935 0.155570 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Rb",
"Dy",
"O"
],
"chemical_system": "Dy-O-Rb",
"density": 4.425195042472092,
"density_atomic": 0.03995360738065868,
"volume": 350.4064067761081,
"volume_molar": 15.07283360579672,
"formula_full": "Rb6 Dy2 O6",
"formula_reduced": "Rb3DyO3",
"formula_anonymous": "AB3C3",
"energy": -75.63576531,
"energy_per_atom": -5.402554664999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -71.51376531,
"band_gap": 1.9797,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 3e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:54.018000Z",
"spacegroup": 12
},
{
"id": "mp-1244890",
"created_at": "2022-09-04T14:44:59.687000Z",
"structure_string": "Zn50 S50\n1.0\n12.311392 0.849521 0.332694\n0.828394 15.298600 0.796408\n0.285984 0.781466 13.385105\nZn S\n50 50\ndirect\n0.446879 0.902803 0.836750 Zn\n0.448883 0.252349 0.101036 Zn\n0.669199 0.046606 0.937017 Zn\n0.668535 0.325693 0.935201 Zn\n0.059395 0.329773 0.300818 Zn\n0.759559 0.261263 0.569030 Zn\n0.631699 0.840544 0.601994 Zn\n0.902928 0.968620 0.101374 Zn\n0.315676 0.100303 0.598469 Zn\n0.594245 0.783132 0.883048 Zn\n0.616493 0.458160 0.549231 Zn\n0.655246 0.072163 0.190800 Zn\n0.608356 0.577344 0.022063 Zn\n0.976235 0.027931 0.904226 Zn\n0.235063 0.627238 0.934338 Zn\n0.599123 0.405567 0.289506 Zn\n0.118505 0.975702 0.419459 Zn\n0.102161 0.694875 0.211010 Zn\n0.936259 0.058581 0.378882 Zn\n0.190756 0.007736 0.706929 Zn\n0.895006 0.405089 0.898062 Zn\n0.749771 0.232065 0.756931 Zn\n0.798846 0.366402 0.321335 Zn\n0.628655 0.059694 0.474348 Zn\n0.285868 0.111800 0.937773 Zn\n0.241421 0.762950 0.640637 Zn\n0.916534 0.769334 0.725904 Zn\n0.534197 0.746104 0.146722 Zn\n0.842237 0.979269 0.617666 Zn\n0.495808 0.255034 0.802686 Zn\n0.303391 0.821243 0.306402 Zn\n0.974759 0.437092 0.520744 Zn\n0.083760 0.641071 0.506816 Zn\n0.314951 0.261332 0.334053 Zn\n0.194234 0.228104 0.161339 Zn\n0.446813 0.904712 0.430099 Zn\n0.668045 0.249649 0.324017 Zn\n0.538024 0.531029 0.797123 Zn\n0.178587 0.191731 0.699821 Zn\n0.356545 0.508541 0.560234 Zn\n0.485840 0.585409 0.281264 Zn\n0.413194 0.741182 0.819522 Zn\n0.238900 0.389580 0.562735 Zn\n0.978572 0.554167 0.334386 Zn\n0.932351 0.226065 0.668927 Zn\n0.165533 0.860488 0.947610 Zn\n0.995872 0.632022 0.028241 Zn\n0.783932 0.627872 0.828481 Zn\n0.168187 0.306255 0.907496 Zn\n0.994758 0.842657 0.578370 Zn\n0.625414 0.129651 0.795576 S\n0.079179 0.970713 0.039275 S\n0.407720 0.272426 0.475551 S\n0.837521 0.267641 0.906375 S\n0.065069 0.326846 0.648243 S\n0.133280 0.189799 0.018646 S\n0.306249 0.337351 0.174525 S\n0.668156 0.715000 0.029481 S\n0.826514 0.028642 0.234567 S\n0.714967 0.500466 0.886481 S\n0.514194 0.567047 0.634267 S\n0.450338 0.764115 0.640943 S\n0.543798 0.184356 0.247459 S\n0.439233 0.605358 0.917860 S\n0.220751 0.623667 0.608993 S\n0.761945 0.155902 0.448907 S\n0.404732 0.909468 0.624439 S\n0.315822 0.643064 0.207315 S\n0.221782 0.760280 0.818564 S\n0.716586 0.762842 0.739309 S\n0.131839 0.504052 0.989565 S\n0.604478 0.330249 0.671073 S\n0.032011 0.098736 0.756556 S\n0.156225 0.191180 0.330702 S\n0.345457 0.771632 0.147788 S\n0.279180 0.978410 0.864777 S\n0.491045 0.476048 0.416850 S\n0.922339 0.593440 0.496517 S\n0.492034 0.336120 0.945888 S\n0.798052 0.399941 0.488150 S\n0.073593 0.445216 0.869625 S\n0.947312 0.660320 0.860369 S\n0.581473 0.706859 0.311018 S\n0.921222 0.367218 0.196694 S\n0.138340 0.747167 0.360943 S\n0.109660 0.437744 0.388481 S\n0.550826 0.016826 0.072848 S\n0.825161 0.954650 0.949525 S\n0.305336 0.233579 0.806472 S\n0.448654 0.748035 0.405883 S\n0.539724 0.493033 0.152106 S\n0.530014 0.967542 0.683411 S\n0.295452 0.965530 0.340120 S\n0.405383 0.105458 0.070679 S\n0.632977 0.915275 0.442290 S\n0.133380 0.726222 0.040894 S\n0.159000 0.909437 0.593721 S\n0.016759 0.851505 0.396279 S\n0.473327 0.146818 0.538771 S\n0.933873 0.644471 0.195899 S\n",
"nsites": 100,
"nelements": 2,
"elements": [
"Zn",
"S"
],
"chemical_system": "S-Zn",
"density": 3.2334153750489234,
"density_atomic": 0.039953387633260035,
"volume": 2502.9166717455746,
"volume_molar": 15.072916507802566,
"formula_full": "Zn50 S50",
"formula_reduced": "ZnS",
"formula_anonymous": "AB",
"energy": -331.23095126,
"energy_per_atom": -3.3123095125999997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -306.08095126,
"band_gap": 0.8751000000000002,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:47.116000Z",
"spacegroup": 1
},
{
"id": "mp-1182848",
"created_at": "2022-09-04T14:43:57.244776Z",
"structure_string": "Ba12 As8 S32 O28\n1.0\n12.576343 0.000000 0.000000\n0.000000 11.807378 0.000000\n0.000000 9.151145 13.484928\nBa As S O\n12 8 32 28\ndirect\n0.497805 0.725043 0.691502 Ba\n0.997805 0.274957 0.808498 Ba\n0.502195 0.274957 0.308498 Ba\n0.002195 0.725043 0.191502 Ba\n0.110532 0.679927 0.753540 Ba\n0.610532 0.320073 0.746460 Ba\n0.889468 0.320073 0.246460 Ba\n0.389468 0.679927 0.253540 Ba\n0.686357 0.917022 0.195669 Ba\n0.186357 0.082978 0.304331 Ba\n0.313643 0.082978 0.804331 Ba\n0.813643 0.917022 0.695669 Ba\n0.261059 0.461497 0.149215 As\n0.761059 0.538503 0.350785 As\n0.738941 0.538503 0.850785 As\n0.238941 0.461497 0.649215 As\n0.747388 0.917277 0.445197 As\n0.247388 0.082723 0.054803 As\n0.252612 0.082723 0.554803 As\n0.752612 0.917277 0.945197 As\n0.790354 0.088431 0.792819 S\n0.290354 0.911569 0.707181 S\n0.209646 0.911569 0.207181 S\n0.709646 0.088431 0.292819 S\n0.544541 0.410961 0.029181 S\n0.044541 0.589039 0.470819 S\n0.455459 0.589039 0.970819 S\n0.955459 0.410961 0.529181 S\n0.073768 0.068392 0.549439 S\n0.573768 0.931608 0.950561 S\n0.926232 0.931608 0.450561 S\n0.426232 0.068392 0.049439 S\n0.638975 0.061504 0.500584 S\n0.138975 0.938496 0.999416 S\n0.361025 0.938496 0.499416 S\n0.861025 0.061504 0.000584 S\n0.107786 0.426374 0.068295 S\n0.607786 0.573626 0.431705 S\n0.892214 0.573626 0.931705 S\n0.392214 0.426374 0.568295 S\n0.264846 0.775335 0.539059 S\n0.764846 0.224665 0.960941 S\n0.735154 0.224665 0.460941 S\n0.235154 0.775335 0.039059 S\n0.195890 0.397559 0.973018 S\n0.695890 0.602441 0.526982 S\n0.804110 0.602441 0.026982 S\n0.304110 0.397559 0.473018 S\n0.845418 0.607460 0.712326 S\n0.345418 0.392540 0.787674 S\n0.154582 0.392540 0.287674 S\n0.654582 0.607460 0.212326 S\n0.113343 0.399752 0.899165 O\n0.613343 0.600248 0.600835 O\n0.886657 0.600248 0.100835 O\n0.386657 0.399752 0.399165 O\n0.611523 0.978323 0.613423 O\n0.111523 0.021677 0.886577 O\n0.388477 0.021677 0.386577 O\n0.888477 0.978323 0.113423 O\n0.943147 0.710063 0.845387 O\n0.443147 0.289937 0.654613 O\n0.056853 0.289937 0.154613 O\n0.556853 0.710063 0.345387 O\n0.959784 0.536179 0.734649 O\n0.459784 0.463821 0.765351 O\n0.040216 0.463821 0.265351 O\n0.540216 0.536179 0.234649 O\n0.678309 0.700145 0.780739 O\n0.178309 0.299855 0.719261 O\n0.321691 0.299855 0.219261 O\n0.821691 0.700145 0.280739 O\n0.408191 0.623618 0.873628 O\n0.908191 0.376382 0.626372 O\n0.591809 0.376382 0.126372 O\n0.091809 0.623618 0.373628 O\n0.023453 0.938343 0.645607 O\n0.523453 0.061657 0.854393 O\n0.976547 0.061657 0.354393 O\n0.476547 0.938343 0.145607 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Ba",
"As",
"S",
"O"
],
"chemical_system": "As-Ba-O-S",
"density": 3.085988548989953,
"density_atomic": 0.03995153907644082,
"volume": 2002.4259853151818,
"volume_molar": 15.073613931312149,
"formula_full": "Ba12 As8 S32 O28",
"formula_reduced": "Ba3As2S8O7",
"formula_anonymous": "A2B3C7D8",
"energy": -440.3296600599999,
"energy_per_atom": -5.504120750749999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -421.0936600600001,
"band_gap": 0.0825,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0004131,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:20.992000Z",
"spacegroup": 14
},
{
"id": "mp-1194838",
"created_at": "2022-09-04T14:40:26.501189Z",
"structure_string": "Ga8 Sn4 Ge4 S24\n1.0\n0.000000 6.029974 22.873601\n3.629498 0.000000 22.873601\n3.629498 6.029974 0.000000\nGa Sn Ge S\n8 4 4 24\ndirect\n0.642053 0.991991 0.027884 Ga\n0.027884 0.338073 0.642053 Ga\n0.258009 0.607947 0.911927 Ga\n0.911927 0.222116 0.258009 Ga\n0.956623 0.811155 0.757649 Ga\n0.757649 0.474573 0.956623 Ga\n0.438845 0.293377 0.775427 Ga\n0.775427 0.492351 0.438845 Ga\n0.108712 0.538509 0.396554 Sn\n0.396554 0.956225 0.108712 Sn\n0.711491 0.141288 0.293775 Sn\n0.293775 0.853446 0.711491 Sn\n0.780881 0.719119 0.780881 Ge\n0.530881 0.469119 0.530881 Ge\n0.289329 0.210671 0.289329 Ge\n0.039329 0.960671 0.039329 Ge\n0.426991 0.151423 0.375505 S\n0.375505 0.046081 0.426991 S\n0.098577 0.823009 0.203919 S\n0.203919 0.874495 0.098577 S\n0.792674 0.920370 0.088897 S\n0.088897 0.198059 0.792674 S\n0.329630 0.457326 0.051941 S\n0.051941 0.161103 0.329630 S\n0.287068 0.449799 0.545417 S\n0.545417 0.717715 0.287068 S\n0.800201 0.962932 0.532285 S\n0.532285 0.704583 0.800201 S\n0.930721 0.578810 0.408118 S\n0.408118 0.082350 0.930721 S\n0.671190 0.319279 0.167650 S\n0.167650 0.841882 0.671190 S\n0.382239 0.255230 0.926947 S\n0.926947 0.435583 0.382239 S\n0.994770 0.867761 0.814417 S\n0.814417 0.323053 0.994770 S\n0.922400 0.657904 0.846696 S\n0.846696 0.573000 0.922400 S\n0.592096 0.327600 0.677000 S\n0.677000 0.403304 0.592096 S\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Ga",
"Sn",
"Ge",
"S"
],
"chemical_system": "Ga-Ge-S-Sn",
"density": 3.4708725373075526,
"density_atomic": 0.03995153346402189,
"volume": 1001.2131333086817,
"volume_molar": 15.073616048863812,
"formula_full": "Ga8 Sn4 Ge4 S24",
"formula_reduced": "Ga2SnGeS6",
"formula_anonymous": "ABC2D6",
"energy": -189.48380779,
"energy_per_atom": -4.737095194749999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -177.41180779,
"band_gap": 0.9682,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 3.49e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:59.168000Z",
"spacegroup": 43
},
{
"id": "mp-1025059",
"created_at": "2022-09-04T14:39:14.285464Z",
"structure_string": "La2 Ag4\n1.0\n-2.449164 3.726878 4.113363\n2.449164 -3.726878 4.113363\n2.449164 3.726878 -4.113363\nLa Ag\n2 4\ndirect\n0.211988 0.461988 0.750000 La\n0.788012 0.538012 0.250000 La\n0.382026 0.834801 0.547226 Ag\n0.617974 0.165199 0.452774 Ag\n0.212425 0.165199 0.047226 Ag\n0.787575 0.834801 0.952774 Ag\n",
"nsites": 6,
"nelements": 2,
"elements": [
"La",
"Ag"
],
"chemical_system": "Ag-La",
"density": 7.842400718537272,
"density_atomic": 0.03995132416796494,
"volume": 150.1827567660727,
"volume_molar": 15.073695016168871,
"formula_full": "La2 Ag4",
"formula_reduced": "LaAg2",
"formula_anonymous": "AB2",
"energy": -22.99480939,
"energy_per_atom": -3.8324682316666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.99480939,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001078,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:37.481000Z",
"spacegroup": 74
},
{
"id": "mp-1213266",
"created_at": "2022-09-04T14:47:57.069119Z",
"structure_string": "Gd12 Co6 Pb1\n1.0\n-4.917244 4.917244 4.917244\n4.917244 -4.917244 4.917244\n4.917244 4.917244 -4.917244\nGd Co Pb\n12 6 1\ndirect\n0.807042 0.693676 0.500719 Gd\n0.192958 0.306324 0.499281 Gd\n0.192958 0.693676 0.886634 Gd\n0.807042 0.306324 0.113366 Gd\n0.693676 0.500719 0.807042 Gd\n0.306324 0.499281 0.192958 Gd\n0.693676 0.886634 0.192958 Gd\n0.306324 0.113366 0.807042 Gd\n0.500719 0.807042 0.693676 Gd\n0.499281 0.192958 0.306324 Gd\n0.113366 0.807042 0.306324 Gd\n0.886634 0.192958 0.693676 Gd\n0.886853 0.386853 0.500000 Co\n0.113147 0.613147 0.500000 Co\n0.386853 0.500000 0.886853 Co\n0.613147 0.500000 0.113147 Co\n0.500000 0.886853 0.386853 Co\n0.500000 0.113147 0.613147 Co\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Gd",
"Co",
"Pb"
],
"chemical_system": "Co-Gd-Pb",
"density": 8.546722673781314,
"density_atomic": 0.03995106236283458,
"volume": 475.58184629591227,
"volume_molar": 15.073793796287728,
"formula_full": "Gd12 Co6 Pb1",
"formula_reduced": "Gd12Co6Pb",
"formula_anonymous": "AB6C12",
"energy": -220.0009622,
"energy_per_atom": -11.578998010526316,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -220.0009622,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 84.5435307,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:17.654000Z",
"spacegroup": 204
},
{
"id": "mp-1208573",
"created_at": "2022-09-04T14:42:59.822753Z",
"structure_string": "Tb12 Co5 Bi1\n1.0\n-4.753141 4.762431 4.975996\n4.753141 -4.762431 4.975996\n4.753141 4.762431 -4.975996\nTb Co Bi\n12 5 1\ndirect\n0.816784 0.709955 0.526739 Tb\n0.183216 0.290045 0.473261 Tb\n0.183216 0.709955 0.893172 Tb\n0.816784 0.290045 0.106828 Tb\n0.687079 0.377885 0.690806 Tb\n0.312921 0.622115 0.309194 Tb\n0.687079 0.996273 0.309194 Tb\n0.312921 0.003727 0.690806 Tb\n0.600819 0.794189 0.806631 Tb\n0.399181 0.205811 0.193369 Tb\n0.987558 0.794189 0.193369 Tb\n0.012442 0.205811 0.806631 Tb\n0.624430 0.000000 0.624430 Co\n0.375570 0.000000 0.375570 Co\n0.111860 0.611860 0.500000 Co\n0.888140 0.388140 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.000000 Bi\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Tb",
"Co",
"Bi"
],
"chemical_system": "Bi-Co-Tb",
"density": 8.884888221570739,
"density_atomic": 0.03995058076308043,
"volume": 450.5566541509293,
"volume_molar": 15.073975509175192,
"formula_full": "Tb12 Co5 Bi1",
"formula_reduced": "Tb12Co5Bi",
"formula_anonymous": "AB5C12",
"energy": -99.83817703,
"energy_per_atom": -5.546565390555555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -99.83817703,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004261,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:08.450000Z",
"spacegroup": 71
}
]
}