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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-elements&page=39",
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"results": [
{
"id": "mp-684845",
"created_at": "2022-09-04T14:43:13.510137Z",
"structure_string": "Sr1 La9 Mg2 Ga6 Fe2 O28\n1.0\n5.584442 0.000000 0.000000\n-2.765641 4.873122 0.000000\n-2.503713 -1.771096 22.855157\nSr La Mg Ga Fe O\n1 9 2 6 2 28\ndirect\n0.091945 0.545595 0.157742 Sr\n0.659636 0.838122 0.044991 La\n0.922992 0.953361 0.355613 La\n0.513269 0.240271 0.254314 La\n0.701351 0.349316 0.548766 La\n0.321610 0.663360 0.448919 La\n0.505998 0.754149 0.749488 La\n0.106096 0.052182 0.649936 La\n0.304552 0.151089 0.948042 La\n0.896173 0.448255 0.844217 La\n0.184665 0.585643 0.304596 Mg\n0.018898 0.515221 0.991677 Mg\n0.004960 0.000669 0.502161 Ga\n0.615238 0.304516 0.400445 Ga\n0.802470 0.404872 0.697950 Ga\n0.404868 0.703029 0.600053 Ga\n0.596619 0.803876 0.899558 Ga\n0.205153 0.104563 0.798878 Ga\n0.344844 0.166563 0.104638 Fe\n0.797404 0.894941 0.201573 Fe\n0.533044 0.484045 0.170936 O\n0.266499 0.394152 0.046273 O\n0.474626 0.931011 0.357006 O\n0.534401 0.001035 0.151256 O\n0.085996 0.822692 0.250709 O\n0.263036 0.903290 0.035285 O\n0.345733 0.133252 0.459247 O\n0.993272 0.960690 0.127577 O\n0.212988 0.308963 0.563450 O\n0.338001 0.370487 0.351170 O\n0.892352 0.240754 0.454168 O\n0.965008 0.257902 0.245254 O\n0.159722 0.575932 0.662911 O\n0.867904 0.488717 0.345786 O\n0.988232 0.717332 0.760753 O\n0.128450 0.774434 0.551043 O\n0.676107 0.629982 0.649964 O\n0.785946 0.690630 0.441816 O\n0.953544 0.980705 0.864049 O\n0.648952 0.836440 0.537725 O\n0.741123 0.120098 0.964304 O\n0.936196 0.190406 0.750526 O\n0.470777 0.016382 0.844653 O\n0.616976 0.098798 0.635363 O\n0.448985 0.226933 0.734262 O\n0.721979 0.607350 0.958923 O\n0.434369 0.491995 0.834771 O\n0.234641 0.624797 0.926660 O\n",
"nsites": 48,
"nelements": 6,
"elements": [
"Sr",
"La",
"Mg",
"Ga",
"Fe",
"O"
],
"chemical_system": "Fe-Ga-La-Mg-O-Sr",
"density": 6.312436355804257,
"density_atomic": 0.07717381319902901,
"volume": 621.9726356686484,
"volume_molar": 7.803347418468328,
"formula_full": "Sr1 La9 Mg2 Ga6 Fe2 O28",
"formula_reduced": "SrLa9Mg2Ga6(FeO14)2",
"formula_anonymous": "AB2C2D6E9F28",
"energy": -367.69478004,
"energy_per_atom": -7.6603079175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -343.94678004,
"band_gap": 0.9001999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.0000556,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:08.469000Z",
"spacegroup": 1
},
{
"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-1218533",
"created_at": "2022-09-04T14:39:10.418766Z",
"structure_string": "Sr3 La1 Cu2 Hg1 Bi1 O10\n1.0\n-2.648209 2.651187 9.024770\n2.648209 -2.651187 9.024770\n2.648209 2.651187 -9.024770\nSr La Cu Hg Bi O\n3 1 2 1 1 10\ndirect\n0.853076 0.353076 0.500000 Sr\n0.354941 0.854941 0.500000 Sr\n0.646536 0.146536 0.500000 Sr\n0.151015 0.651015 0.500000 La\n0.751744 0.751744 0.000000 Cu\n0.253747 0.253747 0.000000 Cu\n0.999514 0.999514 0.000000 Hg\n0.499422 0.499422 0.000000 Bi\n0.881517 0.881517 0.000000 O\n0.377510 0.377510 0.000000 O\n0.622208 0.622208 0.000000 O\n0.118141 0.118141 0.000000 O\n0.005220 0.505220 0.500000 O\n0.500051 0.000051 0.500000 O\n0.000506 0.500475 0.008301 O\n0.492174 0.992205 0.991699 O\n0.000506 0.992205 0.500032 O\n0.492174 0.500475 0.499968 O\n",
"nsites": 18,
"nelements": 6,
"elements": [
"Sr",
"La",
"Cu",
"Hg",
"Bi",
"O"
],
"chemical_system": "Bi-Cu-Hg-La-O-Sr",
"density": 7.196635654884561,
"density_atomic": 0.07102050441587442,
"volume": 253.44793236890416,
"volume_molar": 8.479439578091672,
"formula_full": "Sr3 La1 Cu2 Hg1 Bi1 O10",
"formula_reduced": "Sr3LaCu2HgBiO10",
"formula_anonymous": "ABCD2E3F10",
"energy": -110.34123907,
"energy_per_atom": -6.130068837222222,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -103.47123907,
"band_gap": 0.2035,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0047913,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.937000Z",
"spacegroup": 44
},
{
"id": "mp-1218309",
"created_at": "2022-09-04T14:45:24.038358Z",
"structure_string": "Sr1 La2 Ce1 Mn2 Cr2 O12\n1.0\n5.520432 0.000000 0.000000\n-2.694993 4.833891 0.000000\n-2.556198 -1.555103 9.165077\nSr La Ce Mn Cr O\n1 2 1 2 2 12\ndirect\n0.742536 0.870159 0.621060 Sr\n0.753963 0.377518 0.129138 La\n0.256500 0.129600 0.380032 La\n0.242370 0.620731 0.870788 Ce\n0.502399 0.254468 0.753714 Mn\n0.997169 0.498332 0.500237 Mn\n0.492741 0.744315 0.246249 Cr\n0.001356 0.998189 0.999047 Cr\n0.170004 0.791340 0.117364 O\n0.187902 0.330103 0.628175 O\n0.737865 0.146948 0.333462 O\n0.748909 0.655944 0.843304 O\n0.307593 0.655788 0.404264 O\n0.334034 0.161174 0.914929 O\n0.247460 0.327429 0.163292 O\n0.262159 0.850684 0.677456 O\n0.650098 0.828896 0.072515 O\n0.678192 0.335980 0.593187 O\n0.822747 0.693013 0.368349 O\n0.864003 0.229388 0.883438 O\n",
"nsites": 20,
"nelements": 6,
"elements": [
"Sr",
"La",
"Ce",
"Mn",
"Cr",
"O"
],
"chemical_system": "Ce-Cr-La-Mn-O-Sr",
"density": 6.188079893633139,
"density_atomic": 0.08177564151253472,
"volume": 244.57160628858367,
"volume_molar": 7.364223194845761,
"formula_full": "Sr1 La2 Ce1 Mn2 Cr2 O12",
"formula_reduced": "SrLa2CeMn2Cr2O12",
"formula_anonymous": "ABC2D2E2F12",
"energy": -173.94447044999998,
"energy_per_atom": -8.6972235225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -158.36647045,
"band_gap": 0.1641000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.0001456,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:05.903000Z",
"spacegroup": 1
},
{
"id": "mp-1173187",
"created_at": "2022-09-04T14:46:33.251358Z",
"structure_string": "Sr1 Ho31 Al2 Si14 N13 O59\n1.0\n9.382021 0.000000 0.000000\n-0.340489 9.961844 0.000000\n-1.473380 -2.711010 18.125655\nSr Ho Al Si N O\n1 31 2 14 13 59\ndirect\n0.150918 0.895742 0.029578 Sr\n0.274924 0.552587 0.740371 Ho\n0.976035 0.645170 0.849843 Ho\n0.363528 0.659623 0.936393 Ho\n0.188028 0.277379 0.503803 Ho\n0.532123 0.378093 0.547709 Ho\n0.091811 0.269598 0.702037 Ho\n0.453573 0.346814 0.827083 Ho\n0.048972 0.340439 0.899689 Ho\n0.315222 0.003371 0.246122 Ho\n0.021141 0.160167 0.346651 Ho\n0.427378 0.017560 0.460165 Ho\n0.809780 0.070244 0.590131 Ho\n0.417848 0.059801 0.645594 Ho\n0.805919 0.095733 0.791631 Ho\n0.570590 0.017153 0.111560 Ho\n0.475984 0.061086 0.926418 Ho\n0.914652 0.890987 0.177892 Ho\n0.599635 0.819811 0.301207 Ho\n0.101522 0.835167 0.347637 Ho\n0.603551 0.779995 0.565004 Ho\n0.950450 0.799418 0.668569 Ho\n0.555985 0.818354 0.756851 Ho\n0.044607 0.552608 0.067902 Ho\n0.431702 0.662407 0.121789 Ho\n0.847104 0.576751 0.250309 Ho\n0.443359 0.605705 0.414115 Ho\n0.915242 0.652112 0.489689 Ho\n0.679125 0.402449 0.048239 Ho\n0.167816 0.335536 0.200706 Ho\n0.527938 0.383878 0.245382 Ho\n0.863388 0.145197 0.003225 Ho\n0.876421 0.346962 0.547207 Al\n0.248351 0.623575 0.262938 Al\n0.216553 0.855467 0.828580 Si\n0.734710 0.713666 0.028108 Si\n0.286054 0.616654 0.587985 Si\n0.732591 0.369375 0.733870 Si\n0.268986 0.347789 0.356769 Si\n0.294645 0.186284 0.075504 Si\n0.665512 0.141358 0.316863 Si\n0.209858 0.067166 0.788790 Si\n0.770352 0.864802 0.897240 Si\n0.183589 0.810483 0.502105 Si\n0.745093 0.557598 0.669007 Si\n0.771728 0.421723 0.411057 Si\n0.330254 0.375698 0.983754 Si\n0.830705 0.204214 0.184858 Si\n0.815118 0.752121 0.951996 N\n0.619388 0.424552 0.666887 N\n0.925575 0.377475 0.455822 N\n0.668455 0.159747 0.224372 N\n0.692089 0.009086 0.903980 N\n0.371240 0.698946 0.671582 N\n0.395289 0.850624 0.853109 N\n0.714056 0.719849 0.668882 N\n0.136334 0.697495 0.558924 N\n0.400357 0.291251 0.144028 N\n0.326730 0.480891 0.307853 N\n0.807869 0.373980 0.163043 N\n0.204028 0.272522 0.014522 N\n0.377046 0.057923 0.033173 O\n0.138647 0.810744 0.900923 O\n0.117864 0.739405 0.762874 O\n0.818928 0.526703 0.754258 O\n0.242430 0.459389 0.597438 O\n0.053086 0.563396 0.948900 O\n0.438680 0.565535 0.827580 O\n0.082447 0.460600 0.788944 O\n0.423514 0.611336 0.534076 O\n0.868286 0.514374 0.605143 O\n0.374502 0.373662 0.436911 O\n0.320217 0.332007 0.724663 O\n0.007387 0.229581 0.576563 O\n0.389894 0.198991 0.547123 O\n0.686341 0.314827 0.808879 O\n0.320750 0.528663 0.028985 O\n0.839003 0.251403 0.700989 O\n0.277594 0.407230 0.900488 O\n0.312172 0.223590 0.287303 O\n0.658311 0.308788 0.355515 O\n0.198342 0.116333 0.134895 O\n0.200676 0.080698 0.417032 O\n0.522459 0.050608 0.336715 O\n0.084060 0.980573 0.267696 O\n0.713777 0.247986 0.538905 O\n0.083634 0.178591 0.800167 O\n0.584196 0.995103 0.562379 O\n0.217696 0.055091 0.698074 O\n0.488854 0.315424 0.965096 O\n0.934068 0.145508 0.898690 O\n0.721467 0.857409 0.086434 O\n0.591408 0.026378 0.731763 O\n0.486153 0.884537 0.192412 O\n0.358242 0.140616 0.835347 O\n0.058113 0.774975 0.117684 O\n0.368289 0.794053 0.043480 O\n0.805096 0.076930 0.353568 O\n0.288005 0.939940 0.538927 O\n0.822418 0.797142 0.263699 O\n0.317478 0.796846 0.291964 O\n0.903117 0.999881 0.689889 O\n0.431012 0.826676 0.650675 O\n0.834735 0.826801 0.557243 O\n0.819956 0.821987 0.814122 O\n0.816059 0.610987 0.080061 O\n0.069600 0.637503 0.286502 O\n0.580346 0.623762 0.008053 O\n0.240477 0.555103 0.168160 O\n0.563529 0.799207 0.421303 O\n0.025619 0.834698 0.457274 O\n0.585918 0.605291 0.249088 O\n0.263770 0.743127 0.428835 O\n0.666784 0.510566 0.470655 O\n0.959424 0.435121 0.163347 O\n0.498967 0.400618 0.126363 O\n0.885920 0.358428 0.002971 O\n0.818680 0.545103 0.364558 O\n0.974298 0.244363 0.248022 O\n0.658487 0.165601 0.044298 O\n",
"nsites": 120,
"nelements": 6,
"elements": [
"Sr",
"Ho",
"Al",
"Si",
"N",
"O"
],
"chemical_system": "Al-Ho-N-O-Si-Sr",
"density": 6.639622598953709,
"density_atomic": 0.07083557104993282,
"volume": 1694.0641293822646,
"volume_molar": 8.501577203005708,
"formula_full": "Sr1 Ho31 Al2 Si14 N13 O59",
"formula_reduced": "SrHo31Al2Si14N13O59",
"formula_anonymous": "AB2C13D14E31F59",
"energy": -993.92292737,
"energy_per_atom": -8.282691061416667,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -948.69692737,
"band_gap": 1.8576999999999997,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0022581,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:33.038000Z",
"spacegroup": 1
},
{
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}