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{
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"results": [
{
"id": "mp-18232",
"created_at": "2022-09-04T14:41:22.503918Z",
"structure_string": "Ce4 Al6 Ge8\n1.0\n3.013342 -7.522455 0.000000\n3.013342 7.522455 0.000000\n0.000000 0.000000 7.936846\nCe Al Ge\n4 6 8\ndirect\n0.386244 0.613756 0.918340 Ce\n0.613756 0.386244 0.081660 Ce\n0.886244 0.113756 0.581660 Ce\n0.113756 0.886244 0.418340 Ce\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.034863 0.465137 0.250000 Al\n0.465137 0.034863 0.750000 Al\n0.534863 0.965137 0.250000 Al\n0.965137 0.534863 0.750000 Al\n0.315801 0.684199 0.550718 Ge\n0.684199 0.315801 0.449282 Ge\n0.815801 0.184199 0.949282 Ge\n0.703545 0.796455 0.250000 Ge\n0.203545 0.296455 0.250000 Ge\n0.296455 0.203545 0.750000 Ge\n0.796455 0.703545 0.750000 Ge\n0.184199 0.815801 0.050718 Ge\n",
"nsites": 18,
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"elements": [
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],
"chemical_system": "Al-Ce-Ge",
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"formula_full": "Ce4 Al6 Ge8",
"formula_reduced": "Ce2Al3Ge4",
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"updated_at": "2021-11-28T01:35:16.477000Z",
"spacegroup": 64
},
{
"id": "mp-1176205",
"created_at": "2022-09-04T14:41:19.774929Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n2.892490 0.000000 0.000000\n-0.189238 10.255223 0.000000\n-1.240490 -4.202660 9.749783\nLi Mn Co O\n9 2 5 16\ndirect\n0.123651 0.927494 0.245133 Li\n0.878335 0.067283 0.758904 Li\n0.610086 0.190086 0.239566 Li\n0.610576 0.668954 0.229774 Li\n0.384127 0.811722 0.753490 Li\n0.113395 0.437783 0.244977 Li\n0.887139 0.567339 0.757016 Li\n0.391607 0.328161 0.770561 Li\n0.000552 0.500020 0.000385 Li\n0.000936 0.999600 0.000599 Mn\n0.751607 0.125090 0.499877 Mn\n0.504784 0.272426 0.006676 Co\n0.263293 0.378783 0.500710 Co\n0.752139 0.627451 0.499541 Co\n0.495391 0.727190 0.993475 Co\n0.240619 0.872516 0.500054 Co\n0.550918 0.974406 0.111591 O\n0.299754 0.097366 0.610003 O\n0.052485 0.202775 0.107932 O\n0.052430 0.724126 0.117696 O\n0.812783 0.842835 0.617811 O\n0.558589 0.455216 0.120823 O\n0.325370 0.590108 0.613415 O\n0.830000 0.330548 0.608877 O\n0.677666 0.923563 0.389788 O\n0.450757 0.026279 0.889594 O\n0.203732 0.153447 0.390032 O\n0.168175 0.658813 0.384733 O\n0.948669 0.796414 0.893851 O\n0.673637 0.404393 0.384111 O\n0.440032 0.543878 0.877287 O\n0.946765 0.273936 0.881716 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.151225737270864,
"density_atomic": 0.11064659505228143,
"volume": 289.2090803596779,
"volume_molar": 5.442680596862911,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -208.00816514,
"energy_per_atom": -6.500255160625,
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"energy_uncorrected": -185.49016514,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:35:28.638000Z",
"spacegroup": 1
},
{
"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,
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"energy_uncorrected": -205.14336507,
"band_gap": 0.9150000000000004,
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"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,
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"elements": [
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"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,
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"updated_at": "2021-11-28T01:35:10.660000Z",
"spacegroup": 15
},
{
"id": "mp-1311588",
"created_at": "2022-09-04T14:41:19.769258Z",
"structure_string": "Li8 Mn6 Nb2 O16\n1.0\n5.221140 -1.679073 2.518966\n5.296006 1.616848 -2.703304\n1.627545 7.057413 7.747461\nLi Mn Nb O\n8 6 2 16\ndirect\n0.491955 0.753250 0.252799 Li\n0.492120 0.252794 0.752697 Li\n0.500993 0.997824 0.000337 Li\n0.501301 0.497329 0.500320 Li\n0.993107 0.247315 0.254520 Li\n0.992749 0.747525 0.754574 Li\n0.999518 0.498324 0.001328 Li\n0.999453 0.998252 0.501377 Li\n0.995625 0.748051 0.251217 Mn\n0.501810 0.497081 0.000395 Mn\n0.498784 0.751152 0.748940 Mn\n0.995190 0.248533 0.751349 Mn\n0.502045 0.996154 0.500330 Mn\n0.499005 0.250988 0.249071 Mn\n0.002529 0.496747 0.500973 Nb\n0.002308 0.997046 0.000821 Nb\n0.271921 0.897142 0.615257 O\n0.272335 0.397031 0.115143 O\n0.725199 0.103554 0.385254 O\n0.725060 0.604128 0.885276 O\n0.242684 0.638139 0.891170 O\n0.242757 0.137984 0.391218 O\n0.762691 0.387071 0.613791 O\n0.762813 0.886982 0.113793 O\n0.771693 0.096068 0.877575 O\n0.771780 0.595917 0.377602 O\n0.758093 0.359463 0.109741 O\n0.757983 0.859304 0.609780 O\n0.235420 0.112633 0.887136 O\n0.235626 0.612429 0.387206 O\n0.225326 0.902141 0.125775 O\n0.225076 0.402309 0.625916 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
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"Mn",
"Nb",
"O"
],
"chemical_system": "Li-Mn-Nb-O",
"density": 4.176210828323864,
"density_atomic": 0.09731932589841785,
"volume": 328.81444363272385,
"volume_molar": 6.188021448366714,
"formula_full": "Li8 Mn6 Nb2 O16",
"formula_reduced": "Li4Mn3NbO8",
"formula_anonymous": "AB3C4D8",
"energy": -244.04911272,
"energy_per_atom": -7.6265347725,
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"is_magnetic": true,
"total_magnetization": 3.9e-06,
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"updated_at": "2021-11-28T01:35:18.235000Z",
"spacegroup": 1
},
{
"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,
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"elements": [
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"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,
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"spacegroup": 14
},
{
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}