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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_magnetic&page=11464",
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"results": [
{
"id": "mp-703682",
"created_at": "2022-09-04T14:41:16.257736Z",
"structure_string": "Gd4 Mn8 O20\n1.0\n5.803044 0.000000 0.000000\n0.000000 7.444792 0.000000\n0.000000 0.000000 8.631772\nGd Mn O\n4 8 20\ndirect\n0.000000 0.860237 0.828529 Gd\n0.000000 0.139763 0.171471 Gd\n0.000000 0.360237 0.671471 Gd\n0.000000 0.639763 0.328529 Gd\n0.745039 0.000000 0.500000 Mn\n0.500000 0.589498 0.650164 Mn\n0.500000 0.410502 0.349836 Mn\n0.500000 0.910502 0.150164 Mn\n0.500000 0.089498 0.849836 Mn\n0.254961 0.500000 0.000000 Mn\n0.745039 0.500000 0.000000 Mn\n0.254961 0.000000 0.500000 Mn\n0.000000 0.338419 0.945140 O\n0.727938 0.000000 0.000000 O\n0.272062 0.000000 0.000000 O\n0.500000 0.152006 0.434859 O\n0.000000 0.161581 0.445140 O\n0.727938 0.500000 0.500000 O\n0.000000 0.838419 0.554860 O\n0.757081 0.602825 0.793016 O\n0.242919 0.102825 0.706984 O\n0.500000 0.652006 0.065141 O\n0.500000 0.347994 0.934859 O\n0.000000 0.661581 0.054860 O\n0.757081 0.897175 0.293016 O\n0.757081 0.397175 0.206984 O\n0.757081 0.102825 0.706984 O\n0.242919 0.602825 0.793016 O\n0.272062 0.500000 0.500000 O\n0.242919 0.897175 0.293016 O\n0.242919 0.397175 0.206984 O\n0.500000 0.847994 0.565141 O\n",
"nsites": 32,
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"elements": [
"Gd",
"Mn",
"O"
],
"chemical_system": "Gd-Mn-O",
"density": 6.1827857820785095,
"density_atomic": 0.08581072790397345,
"volume": 372.91374612052726,
"volume_molar": 7.017934595239748,
"formula_full": "Gd4 Mn8 O20",
"formula_reduced": "GdMn2O5",
"formula_anonymous": "AB2C5",
"energy": -312.53037497,
"energy_per_atom": -9.7665742178125,
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"energy_uncorrected": -285.44637497,
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"is_magnetic": true,
"total_magnetization": 4.9e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:17.215000Z",
"spacegroup": 55
},
{
"id": "mp-761765",
"created_at": "2022-09-04T14:41:16.278849Z",
"structure_string": "Li6 Mn6 Si2 O16\n1.0\n4.610431 2.661834 0.098899\n4.451715 -3.947825 4.926969\n1.193056 -5.829210 -4.926965\nLi Mn Si O\n6 6 2 16\ndirect\n0.000001 0.250001 0.250000 Li\n0.000001 0.749997 0.750003 Li\n0.500001 0.620738 0.620739 Li\n0.499999 0.120739 0.120740 Li\n0.499999 0.379260 0.379261 Li\n0.500001 0.879261 0.879262 Li\n0.500069 0.499939 0.000042 Mn\n0.000034 0.874060 0.374089 Mn\n0.000011 0.125948 0.625914 Mn\n0.499895 0.000051 0.499959 Mn\n0.999971 0.373989 0.873945 Mn\n0.000001 0.626031 0.126030 Mn\n0.499996 0.250002 0.749999 Si\n0.499998 0.749999 0.249998 Si\n0.265676 0.655155 0.344853 O\n0.265677 0.155147 0.844847 O\n0.734324 0.344845 0.655149 O\n0.734325 0.844851 0.155156 O\n0.211691 0.382055 0.117944 O\n0.211706 0.882051 0.617951 O\n0.788312 0.617942 0.882057 O\n0.788293 0.117951 0.382052 O\n0.299789 0.476306 0.757870 O\n0.299804 0.976305 0.257883 O\n0.700203 0.257877 0.976304 O\n0.700214 0.757866 0.476310 O\n0.299788 0.742131 0.023694 O\n0.299804 0.242114 0.523695 O\n0.700204 0.523695 0.242125 O\n0.700214 0.023691 0.742132 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Si",
"O"
],
"chemical_system": "Li-Mn-O-Si",
"density": 3.859859267197001,
"density_atomic": 0.10203425215814517,
"volume": 294.0189138986615,
"volume_molar": 5.902077618666866,
"formula_full": "Li6 Mn6 Si2 O16",
"formula_reduced": "Li3Mn3SiO8",
"formula_anonymous": "AB3C3D8",
"energy": -226.14336507,
"energy_per_atom": -7.538112169,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -205.14336507,
"band_gap": 0.9150000000000004,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:27.752000Z",
"spacegroup": 10
},
{
"id": "mp-1215146",
"created_at": "2022-09-04T14:41:16.282160Z",
"structure_string": "Al6 P16 N2 O72\n1.0\n4.879138 8.649332 0.000000\n-4.879138 8.649332 0.000000\n0.000000 0.463970 17.665250\nAl P N O\n6 16 2 72\ndirect\n0.233105 0.192828 0.266228 Al\n0.766895 0.807172 0.733772 Al\n0.807172 0.766895 0.233772 Al\n0.192828 0.233105 0.766228 Al\n0.672982 0.327018 0.250000 Al\n0.327018 0.672982 0.750000 Al\n0.865655 0.013773 0.140598 P\n0.134345 0.986227 0.859402 P\n0.986227 0.134345 0.359402 P\n0.013773 0.865655 0.640598 P\n0.585402 0.652203 0.332527 P\n0.414598 0.347797 0.667473 P\n0.347797 0.414598 0.167473 P\n0.652203 0.585402 0.832527 P\n0.460027 0.910239 0.150921 P\n0.539973 0.089761 0.849079 P\n0.089761 0.539973 0.349079 P\n0.910239 0.460027 0.650921 P\n0.574121 0.094314 0.318245 P\n0.425879 0.905686 0.681755 P\n0.905686 0.425879 0.181755 P\n0.094314 0.574121 0.818245 P\n0.232482 0.767518 0.250000 N\n0.767518 0.232482 0.750000 N\n0.295894 0.098648 0.519844 O\n0.704106 0.901352 0.480156 O\n0.901352 0.704106 0.980156 O\n0.098648 0.295894 0.019844 O\n0.336541 0.282461 0.203807 O\n0.663459 0.717539 0.796193 O\n0.717539 0.663459 0.296193 O\n0.282461 0.336541 0.703807 O\n0.579127 0.241882 0.319573 O\n0.420873 0.758118 0.680427 O\n0.758118 0.420873 0.180427 O\n0.241882 0.579127 0.819573 O\n0.519931 0.258475 0.032993 O\n0.480069 0.741525 0.967007 O\n0.741525 0.480069 0.467007 O\n0.258475 0.519931 0.532993 O\n0.143411 0.106954 0.329541 O\n0.856589 0.893046 0.670459 O\n0.893046 0.856589 0.170459 O\n0.106954 0.143411 0.829541 O\n0.620629 0.869357 0.180610 O\n0.379371 0.130643 0.819390 O\n0.130643 0.379371 0.319390 O\n0.869357 0.620629 0.680610 O\n0.803375 0.035031 0.055970 O\n0.196625 0.964969 0.944030 O\n0.964969 0.196625 0.444030 O\n0.035031 0.803375 0.555970 O\n0.425111 0.989918 0.071402 O\n0.574889 0.010082 0.928598 O\n0.010082 0.574889 0.428598 O\n0.989918 0.425111 0.571402 O\n0.627621 0.039083 0.458151 O\n0.372379 0.960917 0.541849 O\n0.960917 0.372379 0.041849 O\n0.039083 0.627621 0.958151 O\n0.420936 0.102631 0.328811 O\n0.579064 0.897369 0.671189 O\n0.897369 0.579064 0.171189 O\n0.102631 0.420936 0.828811 O\n0.486392 0.425360 0.190574 O\n0.513608 0.574640 0.809426 O\n0.574640 0.513608 0.309426 O\n0.425360 0.486392 0.690574 O\n0.648815 0.243426 0.032278 O\n0.351185 0.756574 0.967722 O\n0.756574 0.351185 0.467721 O\n0.243426 0.648815 0.532278 O\n0.329180 0.015202 0.207063 O\n0.670820 0.984798 0.792937 O\n0.984798 0.670820 0.292937 O\n0.015202 0.329180 0.707063 O\n0.720720 0.941775 0.303338 O\n0.279280 0.058225 0.696662 O\n0.058225 0.279280 0.196662 O\n0.941775 0.720720 0.803338 O\n0.457818 0.760737 0.130848 O\n0.542182 0.239263 0.869152 O\n0.239263 0.542182 0.369152 O\n0.760737 0.457818 0.630848 O\n0.479230 0.762647 0.390152 O\n0.520770 0.237353 0.609848 O\n0.237353 0.520769 0.109848 O\n0.762647 0.479231 0.890152 O\n0.019973 0.009933 0.120552 O\n0.980027 0.990067 0.879448 O\n0.990067 0.980027 0.379448 O\n0.009933 0.019973 0.620552 O\n0.749819 0.150437 0.189929 O\n0.250181 0.849563 0.810071 O\n0.849563 0.250181 0.310071 O\n0.150437 0.749819 0.689929 O\n",
"nsites": 96,
"nelements": 4,
"elements": [
"Al",
"P",
"N",
"O"
],
"chemical_system": "Al-N-O-P",
"density": 2.0463820702828457,
"density_atomic": 0.06438664265796883,
"volume": 1490.9924797595972,
"volume_molar": 9.353090192930985,
"formula_full": "Al6 P16 N2 O72",
"formula_reduced": "Al3P8NO36",
"formula_anonymous": "AB3C8D36",
"energy": -619.97953875,
"energy_per_atom": -6.4581201953125,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -608.38753875,
"band_gap": 0.0050999999999999,
"is_gap_direct": true,
"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.660000Z",
"spacegroup": 15
},
{
"id": "mp-1182727",
"created_at": "2022-09-04T14:41:16.298805Z",
"structure_string": "Co2 Mo12 O68\n1.0\n11.164776 0.000000 0.000000\n0.000000 11.813674 0.000000\n0.000000 1.864377 11.974587\nCo Mo O\n2 12 68\ndirect\n0.500000 0.500000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.250047 0.333365 0.440373 Mo\n0.750047 0.666635 0.059627 Mo\n0.749953 0.666635 0.559627 Mo\n0.249953 0.333365 0.940373 Mo\n0.519600 0.197329 0.542482 Mo\n0.019600 0.802671 0.957518 Mo\n0.480400 0.802671 0.457518 Mo\n0.980400 0.197329 0.042482 Mo\n0.768696 0.353700 0.614108 Mo\n0.268696 0.646300 0.885892 Mo\n0.231304 0.646300 0.385892 Mo\n0.731304 0.353700 0.114108 Mo\n0.385931 0.402146 0.542635 O\n0.885931 0.597854 0.957365 O\n0.614069 0.597854 0.457365 O\n0.114069 0.402146 0.042635 O\n0.606444 0.377855 0.506950 O\n0.106444 0.622145 0.993050 O\n0.393556 0.622145 0.493050 O\n0.893556 0.377855 0.006950 O\n0.581601 0.503403 0.718727 O\n0.081601 0.496597 0.781273 O\n0.418399 0.496597 0.281273 O\n0.918399 0.503403 0.218727 O\n0.400783 0.250150 0.429272 O\n0.900783 0.749850 0.070728 O\n0.599217 0.749850 0.570728 O\n0.099217 0.250150 0.929272 O\n0.624985 0.254582 0.655941 O\n0.124985 0.745418 0.844059 O\n0.375015 0.745418 0.344059 O\n0.875015 0.254582 0.155941 O\n0.801772 0.510603 0.547794 O\n0.301772 0.489397 0.952206 O\n0.198228 0.489397 0.452206 O\n0.698228 0.510603 0.047794 O\n0.160314 0.242162 0.529121 O\n0.660314 0.757838 0.970879 O\n0.839686 0.757838 0.470879 O\n0.339686 0.242162 0.029121 O\n0.199276 0.327327 0.306389 O\n0.699276 0.672673 0.193611 O\n0.800724 0.672673 0.693611 O\n0.300724 0.327327 0.806389 O\n0.436167 0.109765 0.640516 O\n0.936167 0.890235 0.859484 O\n0.563833 0.890235 0.359484 O\n0.063833 0.109765 0.140516 O\n0.611320 0.109147 0.480054 O\n0.111320 0.890853 0.019946 O\n0.388680 0.890853 0.519946 O\n0.888680 0.109147 0.980054 O\n0.868779 0.269484 0.556059 O\n0.368779 0.730516 0.943941 O\n0.131221 0.730516 0.443941 O\n0.631221 0.269484 0.056059 O\n0.814093 0.355679 0.750323 O\n0.314093 0.644321 0.749677 O\n0.185907 0.644321 0.249677 O\n0.685907 0.355679 0.250323 O\n0.486652 0.108153 0.895448 O\n0.986652 0.891847 0.604552 O\n0.513348 0.891847 0.104552 O\n0.013348 0.108153 0.395448 O\n0.459901 0.508718 0.186491 O\n0.959901 0.491282 0.313509 O\n0.540099 0.491282 0.813509 O\n0.040099 0.508718 0.686491 O\n0.079388 0.099042 0.741104 O\n0.579388 0.900958 0.758896 O\n0.920612 0.900958 0.258896 O\n0.420612 0.099042 0.241104 O\n0.159615 0.033337 0.727272 O\n0.659615 0.966663 0.772728 O\n0.840385 0.966663 0.272728 O\n0.340385 0.033337 0.227272 O\n0.406275 0.039810 0.891045 O\n0.906275 0.960190 0.608955 O\n0.593725 0.960190 0.108955 O\n0.093725 0.039810 0.391045 O\n",
"nsites": 82,
"nelements": 3,
"elements": [
"Co",
"Mo",
"O"
],
"chemical_system": "Co-Mo-O",
"density": 2.478178558876713,
"density_atomic": 0.05191804281624933,
"volume": 1579.4123882947222,
"volume_molar": 11.599321610242187,
"formula_full": "Co2 Mo12 O68",
"formula_reduced": "Co(Mo3O17)2",
"formula_anonymous": "AB6C34",
"energy": -542.63712583,
"energy_per_atom": -6.617525924756097,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -489.98912583,
"band_gap": 0.0141999999999997,
"is_gap_direct": true,
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"total_magnetization": 14.3415736,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:13.705000Z",
"spacegroup": 14
},
{
"id": "mp-763191",
"created_at": "2022-09-04T14:41:16.303139Z",
"structure_string": "Li4 Mn4 F12\n1.0\n-2.388340 4.493631 5.945299\n2.388340 -4.493631 5.945299\n2.388340 4.493631 -5.945299\nLi Mn F\n4 4 12\ndirect\n0.863960 0.113960 0.250000 Li\n0.863960 0.613960 0.750000 Li\n0.136040 0.386040 0.250000 Li\n0.136040 0.886040 0.750000 Li\n0.747805 0.105164 0.642641 Mn\n0.462524 0.605164 0.857359 Mn\n0.537476 0.394836 0.142641 Mn\n0.252195 0.894836 0.357359 Mn\n0.881312 0.273219 0.608093 F\n0.665126 0.773219 0.891907 F\n0.681847 0.579649 0.102198 F\n0.477451 0.079649 0.397802 F\n0.790494 0.426535 0.363959 F\n0.062576 0.926535 0.136041 F\n0.209506 0.573465 0.636041 F\n0.937424 0.073465 0.863959 F\n0.318153 0.420351 0.897802 F\n0.522549 0.920351 0.602198 F\n0.118688 0.726781 0.391907 F\n0.334874 0.226781 0.108093 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.093639070991598,
"density_atomic": 0.0783615006263319,
"volume": 255.2273736483216,
"volume_molar": 7.685075849576537,
"formula_full": "Li4 Mn4 F12",
"formula_reduced": "LiMnF3",
"formula_anonymous": "ABC3",
"energy": -126.10960957,
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"updated_at": "2021-11-28T01:35:16.622000Z",
"spacegroup": 72
},
{
"id": "mp-777742",
"created_at": "2022-09-04T14:41:16.312038Z",
"structure_string": "Li12 Fe4 S12\n1.0\n11.837465 0.000000 0.000000\n0.000000 6.385622 0.000000\n0.000000 4.978411 6.310566\nLi Fe S\n12 4 12\ndirect\n0.640519 0.707536 0.818705 Li\n0.211234 0.724080 0.781138 Li\n0.073865 0.250828 0.324134 Li\n0.711234 0.275920 0.718862 Li\n0.573865 0.749172 0.175866 Li\n0.140519 0.292464 0.681295 Li\n0.859481 0.707536 0.318705 Li\n0.426135 0.250828 0.824134 Li\n0.288766 0.724080 0.281138 Li\n0.926135 0.749172 0.675866 Li\n0.788766 0.275920 0.218862 Li\n0.359481 0.292464 0.181295 Li\n0.581999 0.001583 0.384236 Fe\n0.081999 0.998417 0.115764 Fe\n0.918001 0.001583 0.884236 Fe\n0.418001 0.998417 0.615764 Fe\n0.926658 0.253194 0.993742 S\n0.083723 0.767204 0.461639 S\n0.583723 0.232796 0.038361 S\n0.426658 0.746806 0.506258 S\n0.740171 0.764043 0.527365 S\n0.240171 0.235957 0.972635 S\n0.759829 0.764043 0.027365 S\n0.259829 0.235957 0.472635 S\n0.573342 0.253194 0.493742 S\n0.416277 0.767204 0.961639 S\n0.916277 0.232796 0.538361 S\n0.073342 0.746806 0.006258 S\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Li",
"Fe",
"S"
],
"chemical_system": "Fe-Li-S",
"density": 2.4070266946542085,
"density_atomic": 0.05869860815389153,
"volume": 477.0130141176727,
"volume_molar": 10.259426840601758,
"formula_full": "Li12 Fe4 S12",
"formula_reduced": "Li3FeS3",
"formula_anonymous": "AB3C3",
"energy": -137.66987818,
"energy_per_atom": -4.916781363571429,
"energy_above_hull": null,
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"energy_uncorrected": -131.63387818,
"band_gap": 0.0,
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"total_magnetization": 16.0003327,
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"updated_at": "2021-11-28T01:35:27.855000Z",
"spacegroup": 14
},
{
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}