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=chemical_system&page=10160",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=chemical_system&page=10158",
"results": [
{
"id": "mp-1248826",
"created_at": "2022-09-04T14:41:16.143200Z",
"structure_string": "Mg6 Si8 Mo4 O28\n1.0\n3.864908 8.669951 0.000000\n-3.864908 8.669951 0.000000\n0.000000 5.597161 8.274694\nMg Si Mo O\n6 8 4 28\ndirect\n0.074046 0.282609 0.096482 Mg\n0.717391 0.925954 0.403518 Mg\n0.282609 0.074046 0.596482 Mg\n0.377197 0.622803 0.750000 Mg\n0.925954 0.717391 0.903518 Mg\n0.622803 0.377197 0.250000 Mg\n0.529119 0.092775 0.715503 Si\n0.092775 0.529119 0.215503 Si\n0.511437 0.244760 0.104532 Si\n0.244760 0.511437 0.604532 Si\n0.907225 0.470881 0.784497 Si\n0.488563 0.755240 0.895468 Si\n0.755240 0.488563 0.395468 Si\n0.470881 0.907225 0.284497 Si\n0.799057 0.200943 0.750000 Mo\n0.200943 0.799057 0.250000 Mo\n0.000000 0.000000 0.000000 Mo\n0.000000 0.000000 0.500000 Mo\n0.841611 0.307164 0.329367 O\n0.924437 0.912036 0.411501 O\n0.480072 0.621756 0.082139 O\n0.912036 0.924437 0.911501 O\n0.261870 0.955176 0.302951 O\n0.067834 0.505893 0.617907 O\n0.621756 0.480072 0.582139 O\n0.044824 0.738130 0.197049 O\n0.932166 0.494107 0.382093 O\n0.640735 0.684579 0.257372 O\n0.075563 0.087964 0.588499 O\n0.738130 0.044824 0.697049 O\n0.494107 0.932166 0.882093 O\n0.307164 0.841611 0.829367 O\n0.684579 0.640735 0.757372 O\n0.955176 0.261870 0.802951 O\n0.914237 0.496136 0.930109 O\n0.359265 0.315421 0.742628 O\n0.503864 0.085763 0.569891 O\n0.315421 0.359265 0.242628 O\n0.505893 0.067834 0.117907 O\n0.087964 0.075563 0.088499 O\n0.496136 0.914237 0.430109 O\n0.519928 0.378244 0.917861 O\n0.085763 0.503864 0.069891 O\n0.378244 0.519928 0.417861 O\n0.692836 0.158389 0.170633 O\n0.158389 0.692836 0.670633 O\n",
"nsites": 46,
"nelements": 4,
"elements": [
"Mg",
"Si",
"Mo",
"O"
],
"chemical_system": "Mg-Mo-O-Si",
"density": 3.600051740409507,
"density_atomic": 0.08295070665827366,
"volume": 554.5462100703138,
"volume_molar": 7.25990290210426,
"formula_full": "Mg6 Si8 Mo4 O28",
"formula_reduced": "Mg3Si4(MoO7)2",
"formula_anonymous": "A2B3C4D14",
"energy": -363.6860098,
"energy_per_atom": -7.906217604347827,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -331.6420098,
"band_gap": 1.4753000000000007,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.9993446,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:11.701000Z",
"spacegroup": 15
},
{
"id": "mp-1234530",
"created_at": "2022-09-04T14:41:17.615129Z",
"structure_string": "Sm4 Mg1 Mo4 O14\n1.0\n6.569039 0.004467 3.828689\n2.201729 6.229661 3.814943\n0.030856 0.005141 7.603799\nSm Mg Mo O\n4 1 4 14\ndirect\n0.498420 0.004565 0.497263 Sm\n0.497310 0.499539 0.498569 Sm\n0.490829 0.504494 0.000541 Sm\n0.000488 0.504419 0.490534 Sm\n0.132254 0.117809 0.132127 Mg\n0.991457 0.995118 0.991226 Mo\n0.987288 0.990740 0.531134 Mo\n0.531234 0.990781 0.987295 Mo\n0.991304 0.522179 0.991400 Mo\n0.646244 0.103854 0.646254 O\n0.079513 0.654326 0.668218 O\n0.931498 0.331791 0.323040 O\n0.668314 0.654434 0.079502 O\n0.372387 0.377505 0.372533 O\n0.932362 0.317480 0.932613 O\n0.079269 0.097867 0.668393 O\n0.323159 0.913681 0.931359 O\n0.323403 0.332069 0.930693 O\n0.087536 0.662638 0.087295 O\n0.624220 0.625736 0.624250 O\n0.337575 0.912394 0.337600 O\n0.930789 0.913664 0.323423 O\n0.668146 0.097917 0.079737 O\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Sm",
"Mg",
"Mo",
"O"
],
"chemical_system": "Mg-Mo-O-Sm",
"density": 6.601492182729199,
"density_atomic": 0.07412810451005607,
"volume": 310.2736829980573,
"volume_molar": 8.123964317990957,
"formula_full": "Sm4 Mg1 Mo4 O14",
"formula_reduced": "Sm4Mg(Mo2O7)2",
"formula_anonymous": "AB4C4D14",
"energy": -196.27537071,
"energy_per_atom": -8.53371177,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -173.84937071,
"band_gap": 1.1711999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.9963656,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:29.095000Z",
"spacegroup": 44
},
{
"id": "mp-1233068",
"created_at": "2022-09-04T14:45:19.207897Z",
"structure_string": "Sm4 Mg1 Mo4 O14\n1.0\n6.544020 -0.015432 3.752952\n2.160251 6.220415 3.764910\n-0.045395 -0.017900 7.585114\nSm Mg Mo O\n4 1 4 14\ndirect\n0.467644 0.009934 0.483368 Sm\n0.517482 0.489860 0.489905 Sm\n0.467472 0.483577 0.009959 Sm\n0.008520 0.486353 0.486580 Sm\n0.725179 0.763035 0.762970 Mg\n0.007374 0.998958 0.998998 Mo\n0.005200 0.004135 0.490267 Mo\n0.492004 0.009277 0.009228 Mo\n0.005178 0.490266 0.004129 Mo\n0.673442 0.081413 0.662627 O\n0.049386 0.676926 0.676920 O\n0.903952 0.340952 0.340973 O\n0.673436 0.662596 0.081374 O\n0.375678 0.378196 0.378218 O\n0.932866 0.338175 0.905860 O\n0.087291 0.097445 0.648178 O\n0.366022 0.893468 0.893517 O\n0.338359 0.351439 0.891008 O\n0.087169 0.648158 0.097593 O\n0.639335 0.635196 0.635186 O\n0.338367 0.891016 0.351354 O\n0.932655 0.905994 0.338228 O\n0.647059 0.104701 0.104628 O\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Sm",
"Mg",
"Mo",
"O"
],
"chemical_system": "Mg-Mo-O-Sm",
"density": 6.599342889513813,
"density_atomic": 0.07410397011321322,
"volume": 310.37473383492784,
"volume_molar": 8.126610154354218,
"formula_full": "Sm4 Mg1 Mo4 O14",
"formula_reduced": "Sm4Mg(Mo2O7)2",
"formula_anonymous": "AB4C4D14",
"energy": -197.46980424,
"energy_per_atom": -8.585643662608696,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -175.04380424,
"band_gap": 1.3087999999999995,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 9.9927501,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:03.334000Z",
"spacegroup": 8
},
{
"id": "mp-1078539",
"created_at": "2022-09-04T14:41:27.597860Z",
"structure_string": "Sr2 Mg1 Mo1 O6\n1.0\n-2.819724 2.819724 4.019856\n2.819724 -2.819724 4.019856\n2.819724 2.819724 -4.019856\nSr Mg Mo O\n2 1 1 6\ndirect\n0.750000 0.250000 0.500000 Sr\n0.250000 0.750000 0.500000 Sr\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Mo\n0.758177 0.758177 0.000000 O\n0.241823 0.241823 0.000000 O\n0.791174 0.726173 0.517347 O\n0.208826 0.273827 0.482653 O\n0.726173 0.208826 0.935000 O\n0.273827 0.791174 0.065000 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sr",
"Mg",
"Mo",
"O"
],
"chemical_system": "Mg-Mo-O-Sr",
"density": 5.084831210994781,
"density_atomic": 0.07821972973437304,
"volume": 127.84498276789084,
"volume_molar": 7.69900481688013,
"formula_full": "Sr2 Mg1 Mo1 O6",
"formula_reduced": "Sr2MgMoO6",
"formula_anonymous": "ABC2D6",
"energy": -74.15587565999999,
"energy_per_atom": -7.415587565999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -66.83187566,
"band_gap": 2.3466,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.5e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:18.283000Z",
"spacegroup": 87
},
{
"id": "mp-1206730",
"created_at": "2022-09-04T14:47:38.768591Z",
"structure_string": "Sr2 Mg1 Mo1 O6\n1.0\n0.000000 4.001502 4.001502\n4.001502 0.000000 4.001502\n4.001502 4.001502 0.000000\nSr Mg Mo O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Mo\n0.757256 0.242744 0.242744 O\n0.242744 0.757256 0.757256 O\n0.242744 0.757256 0.242744 O\n0.757256 0.242744 0.757256 O\n0.242744 0.242744 0.757256 O\n0.757256 0.757256 0.242744 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sr",
"Mg",
"Mo",
"O"
],
"chemical_system": "Mg-Mo-O-Sr",
"density": 5.072956282265603,
"density_atomic": 0.07803705824002673,
"volume": 128.14424615087304,
"volume_molar": 7.717026879046458,
"formula_full": "Sr2 Mg1 Mo1 O6",
"formula_reduced": "Sr2MgMoO6",
"formula_anonymous": "ABC2D6",
"energy": -74.07793759,
"energy_per_atom": -7.4077937590000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -66.75393759,
"band_gap": 2.2149,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002255,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:16.803000Z",
"spacegroup": 225
},
{
"id": "mp-1218596",
"created_at": "2022-09-04T14:40:34.172644Z",
"structure_string": "Sr6 Mg1 Mo3 O14\n1.0\n2.862771 -10.457392 0.000000\n2.862771 10.457392 0.000000\n0.000000 0.000000 5.674924\nSr Mg Mo O\n6 1 3 14\ndirect\n0.498314 0.501686 0.000000 Sr\n0.997949 0.002051 0.500000 Sr\n0.685661 0.314339 0.000000 Sr\n0.189125 0.810875 0.500000 Sr\n0.814336 0.185664 0.500000 Sr\n0.315291 0.684709 0.000000 Sr\n0.400925 0.599075 0.500000 Mg\n0.901512 0.098488 0.000000 Mo\n0.099884 0.900116 0.000000 Mo\n0.596876 0.403124 0.500000 Mo\n0.663904 0.858696 0.760681 O\n0.141304 0.336096 0.239319 O\n0.141304 0.336096 0.760681 O\n0.663904 0.858696 0.239319 O\n0.842211 0.648122 0.752996 O\n0.351878 0.157789 0.247004 O\n0.351878 0.157789 0.752996 O\n0.842211 0.648122 0.247004 O\n0.806528 0.193472 0.000000 O\n0.302268 0.697732 0.500000 O\n0.699621 0.300379 0.500000 O\n0.197042 0.802958 0.000000 O\n0.498114 0.501886 0.500000 O\n0.997962 0.002038 0.000000 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Sr",
"Mg",
"Mo",
"O"
],
"chemical_system": "Mg-Mo-O-Sr",
"density": 5.189275709717544,
"density_atomic": 0.070633576828301,
"volume": 339.7817451371631,
"volume_molar": 8.525889570393506,
"formula_full": "Sr6 Mg1 Mo3 O14",
"formula_reduced": "Sr6MgMo3O14",
"formula_anonymous": "AB3C6D14",
"energy": -179.93200811999998,
"energy_per_atom": -7.497167004999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -160.70800812,
"band_gap": 0.3548,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 4.0000996,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.356000Z",
"spacegroup": 38
},
{
"id": "mp-1218905",
"created_at": "2022-09-04T14:47:59.159845Z",
"structure_string": "Sr10 Mg5 Mo4 W1 O30\n1.0\n5.645435 0.000000 0.000000\n2.821409 4.904511 0.000000\n2.821585 1.448103 23.164005\nSr Mg Mo W O\n10 5 4 1 30\ndirect\n0.849743 0.849661 0.949492 Sr\n0.449377 0.449535 0.150757 Sr\n0.049639 0.049596 0.350123 Sr\n0.649628 0.649634 0.550122 Sr\n0.249644 0.249606 0.750085 Sr\n0.550623 0.550465 0.849243 Sr\n0.150257 0.150339 0.050508 Sr\n0.750356 0.750394 0.249915 Sr\n0.350372 0.350366 0.449878 Sr\n0.950361 0.950404 0.649877 Sr\n0.200015 0.199938 0.900254 Mg\n0.799985 0.800062 0.099746 Mg\n0.399991 0.399969 0.300073 Mg\n0.000000 0.000000 0.500000 Mg\n0.600009 0.600031 0.699927 Mg\n0.899996 0.900009 0.799957 Mo\n0.100004 0.099991 0.200043 Mo\n0.700019 0.700003 0.399980 Mo\n0.299981 0.299997 0.600020 Mo\n0.500000 0.500000 0.000000 W\n0.539151 0.032872 0.840757 O\n0.137921 0.633258 0.040830 O\n0.739088 0.232883 0.240899 O\n0.339029 0.832912 0.440830 O\n0.939091 0.432894 0.640778 O\n0.862079 0.366742 0.959170 O\n0.460849 0.967128 0.159243 O\n0.060909 0.567106 0.359222 O\n0.660971 0.167088 0.559170 O\n0.260912 0.767117 0.759101 O\n0.370206 0.845564 0.953571 O\n0.970379 0.444643 0.153746 O\n0.570338 0.044665 0.353710 O\n0.170318 0.644786 0.553672 O\n0.770284 0.244812 0.753631 O\n0.029621 0.555357 0.846254 O\n0.629794 0.154436 0.046429 O\n0.229716 0.755188 0.246369 O\n0.829682 0.355214 0.446328 O\n0.429662 0.955335 0.646290 O\n0.008388 0.045750 0.857085 O\n0.608023 0.645854 0.057533 O\n0.208296 0.245701 0.257249 O\n0.808239 0.845692 0.457230 O\n0.408237 0.445630 0.657194 O\n0.391977 0.354146 0.942467 O\n0.991612 0.954250 0.142915 O\n0.591763 0.554370 0.342806 O\n0.191761 0.154308 0.542770 O\n0.791704 0.754299 0.742751 O\n",
"nsites": 50,
"nelements": 5,
"elements": [
"Sr",
"Mg",
"Mo",
"W",
"O"
],
"chemical_system": "Mg-Mo-O-Sr-W",
"density": 5.295425078072009,
"density_atomic": 0.07795845615158033,
"volume": 641.36724183944,
"volume_molar": 7.724807618420138,
"formula_full": "Sr10 Mg5 Mo4 W1 O30",
"formula_reduced": "Sr10Mg5Mo4WO30",
"formula_anonymous": "AB4C5D10E30",
"energy": -374.163685,
"energy_per_atom": -7.4832737,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -336.307685,
"band_gap": 2.3795,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.67e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:30.870000Z",
"spacegroup": 2
},
{
"id": "mp-1218935",
"created_at": "2022-09-04T14:39:16.935473Z",
"structure_string": "Sr10 Mg5 Mo1 W4 O30\n1.0\n5.660833 0.000000 0.000000\n-2.812248 -4.925698 0.000000\n-2.792739 1.488399 -23.142495\nSr Mg Mo W O\n10 5 1 4 30\ndirect\n0.499402 0.249484 0.749827 Sr\n0.699438 0.849509 0.549817 Sr\n0.899446 0.449506 0.349811 Sr\n0.099212 0.049417 0.149167 Sr\n0.299830 0.649857 0.950431 Sr\n0.900788 0.950583 0.850833 Sr\n0.100554 0.550494 0.650189 Sr\n0.300562 0.150491 0.450183 Sr\n0.500598 0.750516 0.250173 Sr\n0.700170 0.350143 0.049569 Sr\n0.599916 0.300011 0.899792 Mg\n0.800014 0.900004 0.700067 Mg\n0.000000 0.500000 0.500000 Mg\n0.199986 0.099996 0.299933 Mg\n0.400084 0.699989 0.100208 Mg\n0.000000 0.000000 0.000000 Mo\n0.200011 0.599979 0.799945 W\n0.399928 0.199951 0.599960 W\n0.600072 0.800049 0.400040 W\n0.799989 0.400021 0.200055 W\n0.014147 0.251779 0.754775 O\n0.214058 0.851658 0.554691 O\n0.414018 0.451537 0.354662 O\n0.613927 0.051398 0.154577 O\n0.814390 0.652461 0.954780 O\n0.386073 0.948602 0.845423 O\n0.585982 0.548463 0.645338 O\n0.785942 0.148342 0.445309 O\n0.985853 0.748221 0.245225 O\n0.185610 0.347539 0.045220 O\n0.138241 0.040449 0.655560 O\n0.338341 0.640484 0.455514 O\n0.538527 0.240608 0.255461 O\n0.738499 0.840766 0.055262 O\n0.938340 0.440506 0.855699 O\n0.261501 0.159234 0.944738 O\n0.461473 0.759392 0.744539 O\n0.661659 0.359516 0.544486 O\n0.861759 0.959551 0.344440 O\n0.061660 0.559494 0.144301 O\n0.641117 0.090983 0.644518 O\n0.841071 0.691029 0.444494 O\n0.040997 0.291079 0.244421 O\n0.240313 0.891012 0.044376 O\n0.441189 0.491022 0.844607 O\n0.759687 0.108988 0.955624 O\n0.959003 0.708921 0.755579 O\n0.158929 0.308971 0.555506 O\n0.358883 0.909017 0.355482 O\n0.558811 0.508978 0.155393 O\n",
"nsites": 50,
"nelements": 5,
"elements": [
"Sr",
"Mg",
"Mo",
"W",
"O"
],
"chemical_system": "Mg-Mo-O-Sr-W",
"density": 5.941772839216221,
"density_atomic": 0.07748394096265299,
"volume": 645.2950040847799,
"volume_molar": 7.772114692646639,
"formula_full": "Sr10 Mg5 Mo1 W4 O30",
"formula_reduced": "Sr10Mg5Mo(W2O15)2",
"formula_anonymous": "AB4C5D10E30",
"energy": -384.18724214,
"energy_per_atom": -7.6837448428,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -342.62324214,
"band_gap": 2.626,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001265,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:32.243000Z",
"spacegroup": 2
},
{
"id": "mp-1218906",
"created_at": "2022-09-04T14:41:49.413471Z",
"structure_string": "Sr10 Mg5 Mo3 W2 O30\n1.0\n-5.660258 0.000000 0.000000\n-0.040882 -5.681805 0.000000\n2.814955 2.780507 19.989788\nSr Mg Mo W O\n10 5 3 2 30\ndirect\n0.050760 0.550456 0.100361 Sr\n0.650735 0.150144 0.299630 Sr\n0.250861 0.750390 0.500481 Sr\n0.850974 0.350752 0.701303 Sr\n0.450811 0.950561 0.900559 Sr\n0.549189 0.049439 0.099441 Sr\n0.149026 0.649248 0.298697 Sr\n0.749139 0.249610 0.499519 Sr\n0.349265 0.849856 0.700370 Sr\n0.949240 0.449544 0.899639 Sr\n0.500000 0.500000 0.000000 Mg\n0.100024 0.100053 0.199966 Mg\n0.700016 0.700045 0.400006 Mg\n0.299984 0.299955 0.599994 Mg\n0.899976 0.899947 0.800034 Mg\n0.399916 0.400070 0.800011 Mo\n0.000000 0.000000 0.000000 Mo\n0.600084 0.599930 0.199989 Mo\n0.200064 0.199960 0.400013 W\n0.799936 0.800040 0.599987 W\n0.258711 0.225888 0.001132 O\n0.858661 0.825891 0.201006 O\n0.459199 0.425890 0.401009 O\n0.059254 0.026006 0.601279 O\n0.658711 0.626012 0.801279 O\n0.341289 0.373988 0.198721 O\n0.940746 0.973994 0.398721 O\n0.540801 0.574110 0.598991 O\n0.141339 0.174109 0.798994 O\n0.741289 0.774112 0.998868 O\n0.379258 0.861474 0.212506 O\n0.979327 0.462132 0.412745 O\n0.579504 0.062485 0.613074 O\n0.179463 0.661829 0.812834 O\n0.779424 0.261688 0.012717 O\n0.220576 0.738312 0.987283 O\n0.820537 0.338171 0.187166 O\n0.420496 0.937515 0.386926 O\n0.020673 0.537868 0.587255 O\n0.620742 0.138526 0.787494 O\n0.122596 0.188183 0.302946 O\n0.722700 0.788333 0.503380 O\n0.323182 0.388113 0.703712 O\n0.923071 0.988017 0.903432 O\n0.523060 0.587950 0.103262 O\n0.476940 0.412050 0.896738 O\n0.076929 0.011983 0.096568 O\n0.676818 0.611887 0.296288 O\n0.277300 0.211667 0.496620 O\n0.877404 0.811817 0.697054 O\n",
"nsites": 50,
"nelements": 5,
"elements": [
"Sr",
"Mg",
"Mo",
"W",
"O"
],
"chemical_system": "Mg-Mo-O-Sr-W",
"density": 5.509996937925112,
"density_atomic": 0.07777486469625541,
"volume": 642.8812212695154,
"volume_molar": 7.743042412891457,
"formula_full": "Sr10 Mg5 Mo3 W2 O30",
"formula_reduced": "Sr10Mg5Mo3(WO15)2",
"formula_anonymous": "A2B3C5D10E30",
"energy": -377.51487344,
"energy_per_atom": -7.550297468799999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -338.42287344,
"band_gap": 2.3303000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001314,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:25.220000Z",
"spacegroup": 2
},
{
"id": "mp-1218914",
"created_at": "2022-09-04T14:39:11.531170Z",
"structure_string": "Sr10 Mg5 Mo2 W3 O30\n1.0\n-5.650157 0.000000 0.000000\n-0.011334 -5.661409 0.000000\n2.820145 2.736888 20.126422\nSr Mg Mo W O\n10 5 2 3 30\ndirect\n0.249365 0.748885 0.500109 Sr\n0.649451 0.149142 0.300834 Sr\n0.049281 0.549008 0.100140 Sr\n0.449224 0.948925 0.899963 Sr\n0.849182 0.348741 0.699327 Sr\n0.750635 0.251115 0.499891 Sr\n0.150818 0.651259 0.300673 Sr\n0.550776 0.051075 0.100037 Sr\n0.950719 0.450992 0.899860 Sr\n0.350549 0.850858 0.699166 Sr\n0.199987 0.199976 0.400010 Mg\n0.599963 0.599955 0.200004 Mg\n0.000000 0.000000 0.000000 Mg\n0.400037 0.400045 0.799996 Mg\n0.800013 0.800024 0.599990 Mg\n0.299978 0.299931 0.599898 Mo\n0.700022 0.700069 0.400102 Mo\n0.099993 0.100057 0.200132 W\n0.500000 0.500000 0.000000 W\n0.900007 0.899943 0.799868 W\n0.572716 0.509225 0.599108 O\n0.972768 0.909342 0.399334 O\n0.373570 0.309362 0.199314 O\n0.773548 0.709363 0.999199 O\n0.173556 0.109252 0.799063 O\n0.427284 0.490775 0.400892 O\n0.826444 0.890748 0.200937 O\n0.226452 0.290637 0.000801 O\n0.626430 0.690638 0.800686 O\n0.027232 0.090658 0.600666 O\n0.236844 0.265102 0.503240 O\n0.636865 0.665199 0.303520 O\n0.036486 0.065187 0.103190 O\n0.436511 0.465157 0.903090 O\n0.836501 0.865095 0.702894 O\n0.763156 0.734898 0.496760 O\n0.163499 0.134905 0.297106 O\n0.563489 0.534843 0.096910 O\n0.963514 0.934813 0.896810 O\n0.363135 0.334801 0.696480 O\n0.507712 0.025025 0.594860 O\n0.907908 0.425244 0.395096 O\n0.307887 0.824357 0.195004 O\n0.707874 0.224279 0.994886 O\n0.107709 0.624132 0.794744 O\n0.492288 0.974975 0.405140 O\n0.892291 0.375868 0.205256 O\n0.292126 0.775721 0.005114 O\n0.692113 0.175643 0.804996 O\n0.092092 0.574756 0.604904 O\n",
"nsites": 50,
"nelements": 5,
"elements": [
"Sr",
"Mg",
"Mo",
"W",
"O"
],
"chemical_system": "Mg-Mo-O-Sr-W",
"density": 5.728843483749795,
"density_atomic": 0.07766375474723296,
"volume": 643.8009617579226,
"volume_molar": 7.754120026259174,
"formula_full": "Sr10 Mg5 Mo2 W3 O30",
"formula_reduced": "Sr10Mg5Mo2(WO10)3",
"formula_anonymous": "A2B3C5D10E30",
"energy": -380.84376928,
"energy_per_atom": -7.6168753856,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -340.51576928,
"band_gap": 2.4223,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.36e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.183000Z",
"spacegroup": 2
},
{
"id": "mp-1373336",
"created_at": "2022-09-04T14:41:12.133943Z",
"structure_string": "Mg4 Ta2 Mo2 O12\n1.0\n7.743344 0.000000 0.000000\n0.000000 5.343842 0.000000\n0.000000 0.130202 5.460217\nMg Ta Mo O\n4 2 2 12\ndirect\n0.750000 0.005865 0.034898 Mg\n0.750000 0.499068 0.549108 Mg\n0.250000 0.500932 0.450892 Mg\n0.250000 0.994135 0.965102 Mg\n0.000000 0.000000 0.500000 Ta\n0.500000 0.000000 0.500000 Ta\n0.000000 0.500000 0.000000 Mo\n0.500000 0.500000 0.000000 Mo\n0.430242 0.157011 0.186759 O\n0.568946 0.688268 0.334721 O\n0.569758 0.842989 0.813241 O\n0.068946 0.311732 0.665279 O\n0.250000 0.871101 0.572578 O\n0.431054 0.311732 0.665279 O\n0.931054 0.688268 0.334721 O\n0.069758 0.157011 0.186759 O\n0.750000 0.361945 0.906212 O\n0.930242 0.842989 0.813241 O\n0.250000 0.638055 0.093788 O\n0.750000 0.128899 0.427422 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Mg",
"Ta",
"Mo",
"O"
],
"chemical_system": "Mg-Mo-O-Ta",
"density": 6.195533553021987,
"density_atomic": 0.08851929177424422,
"volume": 225.9394488944527,
"volume_molar": 6.803195822396103,
"formula_full": "Mg4 Ta2 Mo2 O12",
"formula_reduced": "Mg2TaMoO6",
"formula_anonymous": "ABC2D6",
"energy": -167.50108287,
"energy_per_atom": -8.3750541435,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -152.85308287,
"band_gap": 1.8878000000000004,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0018081,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:13.609000Z",
"spacegroup": 11
},
{
"id": "mp-1210722",
"created_at": "2022-09-04T14:40:00.987258Z",
"structure_string": "Mg2 Te2 Mo2 O12\n1.0\n5.088778 0.000000 0.000000\n0.000000 5.364323 0.000000\n0.000000 0.000000 9.272860\nMg Te Mo O\n2 2 2 12\ndirect\n0.000000 0.500000 0.031940 Mg\n0.500000 0.000000 0.968060 Mg\n0.000000 0.000000 0.236203 Te\n0.500000 0.500000 0.763797 Te\n0.000000 0.000000 0.696542 Mo\n0.500000 0.500000 0.303458 Mo\n0.235890 0.676570 0.202021 O\n0.764110 0.323430 0.202021 O\n0.264110 0.176570 0.797979 O\n0.735890 0.823430 0.797979 O\n0.220203 0.171156 0.101275 O\n0.779797 0.828844 0.101275 O\n0.279797 0.671156 0.898725 O\n0.720203 0.328844 0.898725 O\n0.341191 0.289734 0.415864 O\n0.658809 0.710266 0.415864 O\n0.158809 0.789734 0.584136 O\n0.841191 0.210266 0.584136 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Mg",
"Te",
"Mo",
"O"
],
"chemical_system": "Mg-Mo-O-Te",
"density": 4.511231682443122,
"density_atomic": 0.07110995063953693,
"volume": 253.1291308475758,
"volume_molar": 8.468773646780887,
"formula_full": "Mg2 Te2 Mo2 O12",
"formula_reduced": "MgTeMoO6",
"formula_anonymous": "ABCD6",
"energy": -128.25400023,
"energy_per_atom": -7.125222235,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -113.60600023,
"band_gap": 3.1735,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:44.674000Z",
"spacegroup": 18
}
]
}