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{
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"results": [
{
"id": "mp-1173234",
"created_at": "2022-09-04T14:48:00.087674Z",
"structure_string": "Sr6 La14 Mn17 Sn3 O60\n1.0\n4.869585 -0.014505 2.749919\n1.607383 4.583615 2.726694\n-0.100916 -0.354611 55.962658\nSr La Mn Sn O\n6 14 17 3 60\ndirect\n0.262061 0.257650 0.022386 Sr\n0.245109 0.252744 0.123650 Sr\n0.247166 0.243868 0.627027 Sr\n0.250303 0.248680 0.725272 Sr\n0.252872 0.252505 0.823898 Sr\n0.263484 0.265830 0.920504 Sr\n0.246709 0.230870 0.228399 La\n0.742135 0.758245 0.072277 La\n0.243441 0.244921 0.327206 La\n0.752698 0.753716 0.173705 La\n0.246798 0.246967 0.426670 La\n0.742889 0.734658 0.278885 La\n0.241142 0.244947 0.527908 La\n0.747319 0.748226 0.376683 La\n0.744567 0.747918 0.476874 La\n0.741475 0.743116 0.578528 La\n0.748434 0.749179 0.676498 La\n0.750677 0.752067 0.774607 La\n0.756557 0.755147 0.871951 La\n0.765526 0.769819 0.968806 La\n0.502309 0.507764 0.048073 Mn\n0.493496 0.503957 0.150014 Mn\n0.495994 0.490790 0.252077 Mn\n0.996072 0.997066 0.401120 Mn\n0.493819 0.495851 0.351587 Mn\n0.994116 0.999311 0.500765 Mn\n0.496551 0.497040 0.450979 Mn\n0.991647 0.995489 0.301735 Mn\n0.500556 0.494751 0.550761 Mn\n0.498577 0.496588 0.650808 Mn\n0.002173 0.002821 0.799228 Mn\n0.500538 0.499156 0.750009 Mn\n0.994670 0.998618 0.600985 Mn\n0.009249 0.007964 0.897550 Mn\n0.504323 0.504895 0.848601 Mn\n0.999720 0.998684 0.700290 Mn\n0.511757 0.512468 0.946941 Mn\n0.012865 0.008240 0.997722 Sn\n0.991732 0.004380 0.098978 Sn\n0.003872 0.989793 0.200955 Sn\n0.156730 0.334855 0.074721 O\n0.355004 0.760377 0.014602 O\n0.249723 0.808790 0.066854 O\n0.747267 0.196549 0.031362 O\n0.173203 0.328713 0.176087 O\n0.671395 0.247027 0.080721 O\n0.319587 0.758596 0.116085 O\n0.825948 0.698153 0.026790 O\n0.250268 0.811268 0.167762 O\n0.735739 0.187531 0.133413 O\n0.170963 0.309505 0.276392 O\n0.667041 0.232893 0.185305 O\n0.344559 0.749422 0.216784 O\n0.801057 0.683336 0.128293 O\n0.235417 0.814131 0.270113 O\n0.759173 0.148346 0.235465 O\n0.173036 0.317458 0.375730 O\n0.674762 0.236778 0.285167 O\n0.307905 0.751526 0.319059 O\n0.838189 0.653450 0.227084 O\n0.243795 0.820039 0.369003 O\n0.746172 0.173053 0.333542 O\n0.174724 0.319127 0.474686 O\n0.679850 0.240259 0.383719 O\n0.316998 0.752505 0.418037 O\n0.817550 0.674017 0.325682 O\n0.246049 0.821740 0.468333 O\n0.747679 0.173059 0.433173 O\n0.186261 0.314947 0.573763 O\n0.676697 0.246248 0.483199 O\n0.313623 0.750676 0.518324 O\n0.820967 0.675423 0.424886 O\n0.254546 0.811079 0.568841 O\n0.745008 0.173798 0.532755 O\n0.186337 0.311462 0.675368 O\n0.706262 0.250446 0.579699 O\n0.308063 0.745113 0.619583 O\n0.817212 0.679086 0.523544 O\n0.251969 0.795557 0.670676 O\n0.747243 0.185358 0.631628 O\n0.187996 0.312217 0.774897 O\n0.705258 0.249493 0.679418 O\n0.307266 0.750069 0.719237 O\n0.797134 0.700276 0.623531 O\n0.253254 0.796133 0.770239 O\n0.747107 0.188681 0.731170 O\n0.197445 0.319188 0.873198 O\n0.709193 0.246901 0.779251 O\n0.314672 0.754804 0.818076 O\n0.794360 0.704770 0.724370 O\n0.261019 0.794180 0.869181 O\n0.754803 0.190799 0.829872 O\n0.186522 0.338130 0.973335 O\n0.711836 0.257047 0.877203 O\n0.320029 0.754801 0.917365 O\n0.801264 0.706299 0.824611 O\n0.269573 0.814634 0.966030 O\n0.750114 0.208027 0.929045 O\n0.697840 0.257513 0.978297 O\n0.803942 0.707648 0.924528 O\n",
"nsites": 100,
"nelements": 5,
"elements": [
"Sr",
"La",
"Mn",
"Sn",
"O"
],
"chemical_system": "La-Mn-O-Sn-Sr",
"density": 6.24666298245062,
"density_atomic": 0.07969236963487145,
"volume": 1254.8252794862613,
"volume_molar": 7.5567344622726065,
"formula_full": "Sr6 La14 Mn17 Sn3 O60",
"formula_reduced": "Sr6La14Mn17(SnO20)3",
"formula_anonymous": "A3B6C14D17E60",
"energy": -829.2295511400001,
"energy_per_atom": -8.2922955114,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -759.65355114,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 65.0000414,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:25.921000Z",
"spacegroup": 1
},
{
"id": "mp-1173239",
"created_at": "2022-09-04T14:43:41.424181Z",
"structure_string": "Sr6 La14 Mn18 Fe2 O60\n1.0\n4.826911 -0.006893 2.714202\n1.584279 4.559515 2.714202\n-0.118154 -0.083902 55.424151\nSr La Mn Fe O\n6 14 18 2 60\ndirect\n0.245889 0.247701 0.026376 Sr\n0.248348 0.249549 0.125561 Sr\n0.247191 0.248291 0.225653 Sr\n0.251709 0.252809 0.324347 Sr\n0.250451 0.251652 0.424439 Sr\n0.252299 0.254111 0.523624 Sr\n0.745946 0.747653 0.076175 La\n0.748487 0.749594 0.175756 La\n0.748742 0.751258 0.275000 La\n0.750406 0.751513 0.374244 La\n0.257746 0.253352 0.623087 La\n0.752347 0.754054 0.473825 La\n0.250932 0.250950 0.724644 La\n0.756558 0.756129 0.572395 La\n0.249050 0.249068 0.825356 La\n0.751978 0.752088 0.674145 La\n0.246648 0.242254 0.926913 La\n0.749605 0.750395 0.775000 La\n0.747912 0.748022 0.875855 La\n0.743871 0.743442 0.977605 La\n-0.000737 0.994288 0.000945 Mn\n0.999186 -0.000559 0.100222 Mn\n0.997517 0.001487 0.200024 Mn\n0.498583 0.498755 0.050604 Mn\n0.497680 0.500722 0.150284 Mn\n0.999278 0.002320 0.399716 Mn\n0.001245 0.001417 0.499396 Mn\n0.498513 0.502483 0.349976 Mn\n0.000350 0.004064 0.599301 Mn\n0.500559 0.500814 0.449778 Mn\n-0.000030 0.001734 0.699739 Mn\n0.505712 0.500737 0.549055 Mn\n0.999370 -0.000055 0.800057 Mn\n0.502460 0.500085 0.649598 Mn\n0.500055 0.500630 0.749943 Mn\n0.999915 0.997540 0.900402 Mn\n0.498266 0.500030 0.850261 Mn\n0.495936 0.499650 0.950699 Mn\n0.001262 0.000086 0.299751 Fe\n0.499914 0.498738 0.250249 Fe\n0.187808 0.751748 0.030970 O\n0.310194 0.190465 0.074618 O\n0.251861 0.704635 0.079456 O\n0.747740 0.311669 0.018978 O\n0.194249 0.746555 0.131205 O\n0.701213 0.800097 0.024025 O\n0.310913 0.186346 0.175066 O\n0.795826 0.251730 0.070433 O\n0.246991 0.701709 0.180130 O\n0.747934 0.309471 0.119375 O\n0.187380 0.755788 0.230156 O\n0.702455 0.792773 0.124774 O\n0.314320 0.185680 0.275000 O\n0.798591 0.249388 0.170231 O\n0.247350 0.705507 0.279308 O\n0.756316 0.305066 0.218500 O\n0.194934 0.743684 0.331500 O\n0.709328 0.801013 0.223968 O\n0.313654 0.189087 0.374934 O\n0.794493 0.252650 0.270692 O\n0.250612 0.701409 0.379769 O\n0.744212 0.312620 0.319844 O\n0.190529 0.752066 0.430625 O\n0.698987 0.790672 0.326032 O\n0.309535 0.189806 0.475382 O\n0.798291 0.253009 0.369870 O\n0.248270 0.704174 0.479567 O\n0.753445 0.305751 0.418795 O\n0.188331 0.752260 0.531022 O\n0.707227 0.797545 0.425226 O\n0.313096 0.188261 0.576155 O\n0.795365 0.248139 0.470544 O\n0.250885 0.686995 0.581045 O\n0.748252 0.312192 0.519030 O\n0.185047 0.747842 0.631761 O\n0.699903 0.798787 0.525975 O\n0.319044 0.183037 0.675210 O\n0.794333 0.250272 0.570366 O\n0.249189 0.682021 0.681957 O\n0.751800 0.315468 0.618367 O\n0.182719 0.748463 0.732068 O\n0.685327 0.813693 0.625902 O\n0.319064 0.180936 0.775000 O\n0.816279 0.252461 0.667876 O\n0.247942 0.682161 0.782200 O\n0.751582 0.316999 0.717902 O\n0.183001 0.748418 0.832098 O\n0.681897 0.818190 0.725169 O\n0.316963 0.180956 0.874790 O\n0.817839 0.252058 0.767800 O\n0.247539 0.683721 0.882124 O\n0.751537 0.317281 0.817932 O\n0.184532 0.748200 0.931633 O\n0.681810 0.818103 0.824831 O\n0.311739 0.186904 0.973845 O\n0.817979 0.250811 0.868043 O\n0.249728 0.705667 0.979634 O\n0.752158 0.314953 0.918239 O\n0.686307 0.814673 0.924098 O\n0.813005 0.249115 0.968955 O\n",
"nsites": 100,
"nelements": 5,
"elements": [
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"La",
"Mn",
"Fe",
"O"
],
"chemical_system": "Fe-La-Mn-O-Sr",
"density": 6.153912694895318,
"density_atomic": 0.08179266596475918,
"volume": 1222.6035038775426,
"volume_molar": 7.362690394019768,
"formula_full": "Sr6 La14 Mn18 Fe2 O60",
"formula_reduced": "Sr3La7Mn9FeO30",
"formula_anonymous": "AB3C7D9E30",
"energy": -841.59842844,
"energy_per_atom": -8.4159842844,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -765.84242844,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 52.0018934,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:15.988000Z",
"spacegroup": 5
},
{
"id": "mp-1173230",
"created_at": "2022-09-04T14:41:56.957003Z",
"structure_string": "Sr6 La14 Ti3 Mn17 O60\n1.0\n4.827865 -0.022056 2.733801\n1.575090 4.578396 2.729776\n-0.114749 -0.128810 55.668889\nSr La Ti Mn O\n6 14 3 17 60\ndirect\n0.256637 0.252670 0.023219 Sr\n0.248216 0.254585 0.123781 Sr\n0.246500 0.241846 0.626789 Sr\n0.248504 0.252111 0.725313 Sr\n0.250921 0.252863 0.824279 Sr\n0.250104 0.255935 0.923256 Sr\n0.250025 0.254101 0.225389 La\n0.751009 0.748614 0.073124 La\n0.249180 0.253041 0.325625 La\n0.756734 0.761342 0.172483 La\n0.247144 0.246232 0.426095 La\n0.749377 0.748811 0.276135 La\n0.242078 0.243516 0.527489 La\n0.748840 0.751681 0.375706 La\n0.747857 0.746231 0.476263 La\n0.742585 0.739101 0.578096 La\n0.748828 0.745488 0.676095 La\n0.750732 0.750751 0.774628 La\n0.749821 0.756740 0.873414 La\n0.759214 0.754306 0.971939 La\n0.003612 0.999574 0.999000 Ti\n0.004649 0.005302 0.098201 Ti\n0.003802 0.997073 0.200034 Ti\n0.507935 0.499058 0.048892 Mn\n0.495566 0.507314 0.149678 Mn\n0.997783 0.001029 0.400243 Mn\n0.500095 0.505950 0.249876 Mn\n0.996346 0.998044 0.500579 Mn\n0.499030 0.502177 0.350182 Mn\n0.998202 0.004722 0.299901 Mn\n0.498902 0.496897 0.450470 Mn\n0.501520 0.493019 0.550643 Mn\n0.001256 0.002188 0.799629 Mn\n0.497308 0.493674 0.650837 Mn\n0.995195 0.995507 0.601008 Mn\n0.998890 0.007392 0.898925 Mn\n0.500787 0.502481 0.750033 Mn\n0.998884 0.998797 0.700352 Mn\n0.498408 0.503403 0.849581 Mn\n0.502087 0.503124 0.948988 Mn\n0.178264 0.320453 0.075592 O\n0.335520 0.732119 0.018311 O\n0.222678 0.823029 0.070655 O\n0.779098 0.157090 0.031091 O\n0.182044 0.309319 0.176245 O\n0.689525 0.264548 0.080086 O\n0.293337 0.778937 0.117429 O\n0.808332 0.692680 0.026147 O\n0.250021 0.793712 0.170185 O\n0.736227 0.205778 0.131743 O\n0.185891 0.329344 0.273519 O\n0.695833 0.221663 0.183638 O\n0.334281 0.748097 0.216387 O\n0.794256 0.710260 0.126738 O\n0.237658 0.838132 0.267985 O\n0.776516 0.156311 0.231590 O\n0.180496 0.329518 0.374242 O\n0.676079 0.258379 0.282173 O\n0.320343 0.752711 0.317654 O\n0.829761 0.677099 0.225153 O\n0.245774 0.830560 0.368082 O\n0.754562 0.172996 0.331863 O\n0.181014 0.322407 0.474015 O\n0.678483 0.250078 0.382494 O\n0.318112 0.754683 0.417880 O\n0.819773 0.673320 0.324616 O\n0.245391 0.821133 0.468505 O\n0.750871 0.171697 0.432213 O\n0.187089 0.315015 0.573478 O\n0.679438 0.246787 0.482490 O\n0.315172 0.752339 0.518312 O\n0.818693 0.671384 0.424831 O\n0.253992 0.808466 0.569095 O\n0.747653 0.173952 0.532224 O\n0.184433 0.307255 0.675226 O\n0.706471 0.247453 0.579699 O\n0.305689 0.743409 0.619508 O\n0.815138 0.676557 0.524162 O\n0.247620 0.791707 0.670935 O\n0.747008 0.184535 0.631373 O\n0.191905 0.314934 0.774804 O\n0.703800 0.246133 0.679746 O\n0.310829 0.752418 0.718950 O\n0.795523 0.698400 0.624074 O\n0.253810 0.799382 0.770213 O\n0.750489 0.192455 0.730969 O\n0.183548 0.317669 0.874789 O\n0.708380 0.254847 0.779299 O\n0.311860 0.748653 0.818865 O\n0.798085 0.704681 0.725063 O\n0.242720 0.798388 0.870264 O\n0.754000 0.190142 0.830517 O\n0.193652 0.301197 0.975826 O\n0.696127 0.253033 0.879341 O\n0.296553 0.764461 0.918735 O\n0.794227 0.706905 0.825266 O\n0.258564 0.785801 0.970955 O\n0.739933 0.199346 0.931273 O\n0.720639 0.227148 0.980691 O\n0.792251 0.702404 0.926623 O\n",
"nsites": 100,
"nelements": 5,
"elements": [
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"La",
"Ti",
"Mn",
"O"
],
"chemical_system": "La-Mn-O-Sr-Ti",
"density": 6.061090414177139,
"density_atomic": 0.08097045647869158,
"volume": 1235.018355445684,
"volume_molar": 7.4374543776776205,
"formula_full": "Sr6 La14 Ti3 Mn17 O60",
"formula_reduced": "Sr6La14Ti3Mn17O60",
"formula_anonymous": "A3B6C14D17E60",
"energy": -855.45342305,
"energy_per_atom": -8.5545342305,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -785.87742305,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 8.6626476,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:31.820000Z",
"spacegroup": 1
},
{
"id": "mp-1218623",
"created_at": "2022-09-04T14:39:16.041310Z",
"structure_string": "Sr6 La2 Cu8 O16\n1.0\n3.666652 0.000000 0.000000\n0.000000 11.057815 0.000000\n0.000000 0.000000 11.144372\nSr La Cu O\n6 2 8 16\ndirect\n0.500000 0.218279 0.259320 Sr\n0.500000 0.781721 0.759320 Sr\n0.500000 0.488472 0.467721 Sr\n0.500000 0.006287 0.530850 Sr\n0.500000 0.993713 0.030850 Sr\n0.500000 0.511528 0.967721 Sr\n0.500000 0.282000 0.738877 La\n0.500000 0.718000 0.238877 La\n0.000000 0.034657 0.786995 Cu\n0.000000 0.461874 0.216426 Cu\n0.000000 0.965343 0.286995 Cu\n0.000000 0.538126 0.716426 Cu\n0.000000 0.247773 0.498481 Cu\n0.000000 0.752227 0.998481 Cu\n0.000000 0.752715 0.498109 Cu\n0.000000 0.247285 0.998109 Cu\n0.000000 0.865174 0.616309 O\n0.000000 0.642633 0.374765 O\n0.000000 0.134826 0.116309 O\n0.000000 0.357367 0.874765 O\n0.500000 0.064251 0.801113 O\n0.500000 0.455688 0.198533 O\n0.500000 0.935749 0.301113 O\n0.500000 0.544312 0.698533 O\n0.000000 0.385047 0.607143 O\n0.000000 0.107598 0.398301 O\n0.000000 0.614953 0.107143 O\n0.000000 0.892402 0.898301 O\n0.000000 0.355074 0.361790 O\n0.000000 0.153251 0.645267 O\n0.000000 0.846749 0.145267 O\n0.000000 0.644926 0.861790 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Sr",
"La",
"Cu",
"O"
],
"chemical_system": "Cu-La-O-Sr",
"density": 5.761955386763951,
"density_atomic": 0.070819909071234,
"volume": 451.8503401044033,
"volume_molar": 8.503457345508094,
"formula_full": "Sr6 La2 Cu8 O16",
"formula_reduced": "Sr3La(CuO2)4",
"formula_anonymous": "AB3C4D8",
"energy": -202.45329931,
"energy_per_atom": -6.3266656034375,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -191.46129931,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0018555,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:44.500000Z",
"spacegroup": 26
},
{
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"id": "mp-1173226",
"created_at": "2022-09-04T14:40:35.720371Z",
"structure_string": "Sr6 La2 Ta4 Co4 O24\n1.0\n5.710689 0.000000 0.000000\n-0.001714 5.715566 0.000000\n-0.007979 -0.001830 15.945834\nSr La Ta Co O\n6 2 4 4 24\ndirect\n0.500748 0.004789 0.375645 Sr\n0.499537 0.002255 0.872489 Sr\n0.998527 0.502401 0.869773 Sr\n0.999192 0.503812 0.125227 Sr\n0.999692 0.499502 0.378364 Sr\n0.499874 0.999454 0.626099 Sr\n0.995775 0.492776 0.627129 La\n0.500286 0.018840 0.124093 La\n0.999543 0.000497 0.996616 Ta\n0.000085 0.999973 0.249918 Ta\n0.999439 0.998845 0.503812 Ta\n0.500239 0.501486 0.749311 Ta\n0.999804 0.000878 0.750562 Co\n0.499043 0.503691 0.004515 Co\n0.499462 0.503241 0.253520 Co\n0.499999 0.499119 0.496590 Co\n0.745580 0.236434 0.247116 O\n0.492948 0.502905 0.367121 O\n0.233509 0.256320 0.502281 O\n0.247446 0.757391 0.504319 O\n0.989086 0.012379 0.624732 O\n0.244976 0.735782 0.742507 O\n0.743743 0.747472 0.749252 O\n0.254564 0.257111 0.746309 O\n0.007957 0.995920 0.876674 O\n0.754284 0.266036 0.751465 O\n0.743456 0.236362 0.003178 O\n0.491881 0.505963 0.879232 O\n0.244249 0.246781 0.006541 O\n0.754183 0.754968 0.005043 O\n0.255375 0.766530 0.009318 O\n0.504890 0.486366 0.123835 O\n0.990481 0.004617 0.124873 O\n0.254858 0.766521 0.241978 O\n0.756470 0.754910 0.246277 O\n0.243910 0.246296 0.244078 O\n0.007875 0.997843 0.374100 O\n0.751481 0.240217 0.496159 O\n0.767233 0.742475 0.500413 O\n0.517311 0.494189 0.626140 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Sr",
"La",
"Ta",
"Co",
"O"
],
"chemical_system": "Co-La-O-Sr-Ta",
"density": 6.850060555226359,
"density_atomic": 0.07685373864123184,
"volume": 520.4691496756946,
"volume_molar": 7.835846201461352,
"formula_full": "Sr6 La2 Ta4 Co4 O24",
"formula_reduced": "Sr3LaTa2(CoO6)2",
"formula_anonymous": "AB2C2D3E12",
"energy": -332.4447371,
"energy_per_atom": -8.3111184275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -309.4047371,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0226692,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.815000Z",
"spacegroup": 1
}
]
}