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{
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"results": [
{
"id": "mp-1076199",
"created_at": "2022-09-04T14:41:14.642397Z",
"structure_string": "Sr20 Ca12 Mn4 Fe28 O80\n1.0\n-0.000718 -0.014359 11.093881\n11.431055 0.006715 -0.000779\n-5.706059 15.512083 -5.566700\nSr Ca Mn Fe O\n20 12 4 28 80\ndirect\n0.306706 0.061489 0.608922 Sr\n0.305969 0.558964 0.608101 Sr\n0.807152 0.065036 0.609488 Sr\n0.809390 0.561738 0.610283 Sr\n0.194060 0.433178 0.386485 Sr\n0.197381 0.439213 0.891831 Sr\n0.694908 0.433919 0.387042 Sr\n0.694414 0.934487 0.386754 Sr\n0.699580 0.937903 0.895044 Sr\n0.059224 0.298122 0.611155 Sr\n0.056925 0.796062 0.608815 Sr\n0.558444 0.300621 0.611641 Sr\n0.556142 0.796543 0.607985 Sr\n0.444206 0.202856 0.386933 Sr\n0.447946 0.204553 0.892764 Sr\n0.444064 0.702745 0.386146 Sr\n0.448666 0.702286 0.893767 Sr\n0.945112 0.202632 0.386648 Sr\n0.948288 0.206510 0.893032 Sr\n0.944953 0.703073 0.386262 Sr\n0.302871 0.066713 0.105551 Ca\n0.302581 0.568611 0.105387 Ca\n0.802358 0.067890 0.105951 Ca\n0.802375 0.567785 0.104912 Ca\n0.196777 0.933008 0.391749 Ca\n0.200449 0.935308 0.898824 Ca\n0.700928 0.439076 0.896163 Ca\n0.053141 0.288021 0.106710 Ca\n0.053677 0.788247 0.107003 Ca\n0.552217 0.288445 0.105723 Ca\n0.552688 0.787697 0.106039 Ca\n0.953477 0.711366 0.897892 Ca\n0.111806 0.601964 0.754077 Mn\n0.615485 0.599492 0.753805 Mn\n0.367241 0.406577 0.752126 Mn\n0.359450 0.903568 0.753703 Mn\n0.008836 0.001743 0.005687 Fe\n0.002804 0.998666 0.496317 Fe\n0.006688 0.502173 0.003599 Fe\n0.002909 0.499811 0.499645 Fe\n0.506686 0.002720 0.005826 Fe\n0.502145 0.999802 0.497088 Fe\n0.507522 0.501188 0.004008 Fe\n0.503495 0.499565 0.499615 Fe\n0.257778 0.252820 0.005955 Fe\n0.252820 0.247642 0.498396 Fe\n0.256212 0.753193 0.004479 Fe\n0.251890 0.749391 0.497983 Fe\n0.758491 0.255386 0.006974 Fe\n0.753701 0.249873 0.499576 Fe\n0.757699 0.750667 0.003503 Fe\n0.753472 0.748724 0.498919 Fe\n0.102908 0.084138 0.245352 Fe\n0.111633 0.084954 0.754144 Fe\n0.102696 0.589590 0.243988 Fe\n0.601652 0.085241 0.243826 Fe\n0.612347 0.093287 0.752311 Fe\n0.602774 0.586424 0.243933 Fe\n0.352226 0.408041 0.243777 Fe\n0.350272 0.907999 0.245997 Fe\n0.852641 0.408422 0.243877 Fe\n0.859902 0.417824 0.756399 Fe\n0.854309 0.907032 0.243497 Fe\n0.862620 0.906726 0.752730 Fe\n0.123129 0.116037 0.486337 O\n0.126724 0.118193 0.990074 O\n0.122199 0.621262 0.489095 O\n0.122894 0.625725 0.992360 O\n0.623597 0.122232 0.490860 O\n0.627172 0.125566 0.994600 O\n0.622967 0.621872 0.491122 O\n0.629569 0.620783 0.993742 O\n0.138197 0.381455 0.018859 O\n0.129406 0.375017 0.504213 O\n0.138134 0.882882 0.017398 O\n0.130924 0.877655 0.503774 O\n0.639115 0.382652 0.017513 O\n0.631422 0.376285 0.506001 O\n0.637917 0.881938 0.018007 O\n0.631822 0.877491 0.507419 O\n0.369509 0.114402 0.486641 O\n0.373501 0.118162 0.992566 O\n0.372342 0.620182 0.490216 O\n0.377425 0.622029 0.996752 O\n0.874223 0.119301 0.491189 O\n0.876825 0.119883 0.993061 O\n0.872453 0.618916 0.489174 O\n0.874913 0.617204 0.989053 O\n0.389189 0.384731 0.018867 O\n0.380349 0.377613 0.504187 O\n0.387041 0.886990 0.018340 O\n0.379979 0.879720 0.504807 O\n0.886930 0.386696 0.017086 O\n0.880201 0.377703 0.505142 O\n0.889064 0.882810 0.015771 O\n0.881942 0.879772 0.506656 O\n0.091402 0.105535 0.140577 O\n0.087297 0.091544 0.642925 O\n0.088921 0.608472 0.139119 O\n0.072146 0.585281 0.634559 O\n0.589087 0.108694 0.140265 O\n0.580938 0.096188 0.639984 O\n0.591716 0.609238 0.140892 O\n0.576253 0.583970 0.635797 O\n0.437953 0.407511 0.356200 O\n0.448646 0.414531 0.869746 O\n0.441676 0.907094 0.357740 O\n0.443153 0.913445 0.868287 O\n0.936978 0.406840 0.355881 O\n0.949867 0.403027 0.864393 O\n0.940815 0.907217 0.356363 O\n0.947192 0.894919 0.862208 O\n0.338360 0.280783 0.140070 O\n0.325320 0.297026 0.633264 O\n0.335678 0.783462 0.141466 O\n0.320422 0.802129 0.636574 O\n0.841572 0.282172 0.140111 O\n0.833635 0.301923 0.642823 O\n0.842312 0.781567 0.139579 O\n0.831593 0.793677 0.639775 O\n0.187081 0.201961 0.355381 O\n0.195330 0.209800 0.861437 O\n0.186778 0.707912 0.355526 O\n0.195486 0.713821 0.870293 O\n0.687227 0.198456 0.356140 O\n0.692715 0.217390 0.861154 O\n0.687443 0.700007 0.356775 O\n0.694778 0.708387 0.868571 O\n0.424377 0.056659 0.239306 O\n0.442981 0.053865 0.752105 O\n0.425416 0.557766 0.238578 O\n0.442498 0.567536 0.751592 O\n0.924617 0.058244 0.238578 O\n0.937168 0.058777 0.752180 O\n0.926107 0.558347 0.239031 O\n0.929494 0.574865 0.760568 O\n0.175870 0.434365 0.239783 O\n0.193080 0.449387 0.752866 O\n0.174747 0.929916 0.247269 O\n0.182198 0.931311 0.760015 O\n0.675580 0.431199 0.239013 O\n0.689672 0.439302 0.759870 O\n0.677033 0.931054 0.239157 O\n0.690134 0.941528 0.753221 O\n",
"nsites": 144,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Mn",
"Fe",
"O"
],
"chemical_system": "Ca-Fe-Mn-O-Sr",
"density": 4.4722127047912075,
"density_atomic": 0.07322012320085124,
"volume": 1966.6724625003894,
"volume_molar": 8.22470722082859,
"formula_full": "Sr20 Ca12 Mn4 Fe28 O80",
"formula_reduced": "Sr5Ca3MnFe7O20",
"formula_anonymous": "AB3C5D7E20",
"energy": -1072.7632292,
"energy_per_atom": -7.449744647222222,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -947.9632292,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:14.868000Z",
"spacegroup": 1
},
{
"id": "mp-1246911",
"created_at": "2022-09-04T14:41:15.051875Z",
"structure_string": "Mn4 Pb4 N8\n1.0\n5.843427 0.000000 0.000000\n0.000000 7.692550 0.000000\n0.000000 0.000000 5.283936\nMn Pb N\n4 4 8\ndirect\n0.510309 0.872882 0.988376 Mn\n0.489691 0.127118 0.488376 Mn\n0.989691 0.372882 0.488376 Mn\n0.010309 0.627118 0.988376 Mn\n0.585813 0.369184 0.005039 Pb\n0.414187 0.630816 0.505039 Pb\n0.914187 0.869184 0.505039 Pb\n0.085813 0.130816 0.005039 Pb\n0.502655 0.923510 0.319233 N\n0.497345 0.076490 0.819233 N\n0.997345 0.423510 0.819233 N\n0.002655 0.576490 0.319233 N\n0.738017 0.252210 0.409352 N\n0.261983 0.747790 0.909352 N\n0.761983 0.752210 0.909352 N\n0.238017 0.247790 0.409352 N\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mn",
"Pb",
"N"
],
"chemical_system": "Mn-N-Pb",
"density": 8.11406209935348,
"density_atomic": 0.06736347511841498,
"volume": 237.5174376303238,
"volume_molar": 8.939771514777068,
"formula_full": "Mn4 Pb4 N8",
"formula_reduced": "MnPbN2",
"formula_anonymous": "ABC2",
"energy": -118.44559288,
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"updated_at": "2021-11-28T01:35:16.398000Z",
"spacegroup": 33
},
{
"id": "mp-1201395",
"created_at": "2022-09-04T14:41:14.646746Z",
"structure_string": "Tb16 Te12 N8\n1.0\n7.354876 0.000000 0.000000\n0.000000 11.080795 0.000000\n0.000000 0.000000 11.734806\nTb Te N\n16 12 8\ndirect\n0.162814 0.381992 0.653052 Tb\n0.337186 0.381992 0.346948 Tb\n0.162814 0.118008 0.846948 Tb\n0.337186 0.118008 0.153052 Tb\n0.837186 0.618008 0.346948 Tb\n0.662814 0.618008 0.653052 Tb\n0.837186 0.881992 0.153052 Tb\n0.662814 0.881992 0.846948 Tb\n0.475225 0.322791 0.908393 Tb\n0.024775 0.322791 0.091607 Tb\n0.475225 0.177209 0.591607 Tb\n0.024775 0.177209 0.408393 Tb\n0.524775 0.677209 0.091607 Tb\n0.975225 0.677209 0.908393 Tb\n0.524775 0.822791 0.408393 Tb\n0.975225 0.822791 0.591607 Tb\n0.250000 0.890988 0.000000 Te\n0.250000 0.609012 0.500000 Te\n0.750000 0.109012 0.000000 Te\n0.750000 0.390988 0.500000 Te\n0.369326 0.582367 0.838831 Te\n0.130674 0.582367 0.161169 Te\n0.369326 0.917633 0.661169 Te\n0.130674 0.917633 0.338831 Te\n0.630674 0.417633 0.161169 Te\n0.869326 0.417633 0.838831 Te\n0.630674 0.082367 0.338831 Te\n0.869326 0.082367 0.661169 Te\n0.250000 0.225450 0.000000 N\n0.250000 0.274550 0.500000 N\n0.750000 0.774550 0.000000 N\n0.750000 0.725450 0.500000 N\n0.342414 0.250000 0.750000 N\n0.157586 0.250000 0.250000 N\n0.657586 0.750000 0.250000 N\n0.842414 0.750000 0.750000 N\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Tb",
"Te",
"N"
],
"chemical_system": "N-Tb-Te",
"density": 7.268290446828156,
"density_atomic": 0.03764266052753368,
"volume": 956.3617314899367,
"volume_molar": 15.998180456971454,
"formula_full": "Tb16 Te12 N8",
"formula_reduced": "Tb4Te3N2",
"formula_anonymous": "A2B3C4",
"energy": -242.46200882,
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"updated_at": "2021-11-28T01:35:18.666000Z",
"spacegroup": 52
},
{
"id": "mp-505043",
"created_at": "2022-09-04T14:41:14.655151Z",
"structure_string": "Eu6 Sb10 O24\n1.0\n-5.524037 5.524037 5.524037\n5.524037 -5.524037 5.524037\n5.524037 5.524037 -5.524037\nEu Sb O\n6 10 24\ndirect\n0.250000 0.750000 0.500000 Eu\n0.500000 0.250000 0.750000 Eu\n0.500000 0.750000 0.250000 Eu\n0.250000 0.500000 0.750000 Eu\n0.750000 0.500000 0.250000 Eu\n0.750000 0.250000 0.500000 Eu\n0.276737 0.000000 0.276737 Sb\n0.723263 0.000000 0.723263 Sb\n0.723263 0.723263 0.000000 Sb\n0.276737 0.276737 0.000000 Sb\n0.000000 0.276737 0.276737 Sb\n0.000000 0.723263 0.723263 Sb\n0.502554 0.502554 0.502554 Sb\n0.000000 0.000000 0.497446 Sb\n0.497446 0.000000 0.000000 Sb\n0.000000 0.497446 0.000000 Sb\n0.513174 0.513174 0.796392 O\n0.000000 0.283218 0.486826 O\n0.203608 0.716782 0.716782 O\n0.716782 0.203608 0.716782 O\n0.283218 0.000000 0.486826 O\n0.486826 0.283218 0.000000 O\n0.283218 0.486826 0.000000 O\n0.486826 0.000000 0.283218 O\n0.000000 0.486826 0.283218 O\n0.796392 0.513174 0.513174 O\n0.513174 0.796392 0.513174 O\n0.716782 0.716782 0.203608 O\n0.470129 0.272554 0.470129 O\n0.802424 0.000000 0.529871 O\n0.529871 0.000000 0.802424 O\n0.802424 0.529871 0.000000 O\n0.197576 0.197576 0.727446 O\n0.727446 0.197576 0.197576 O\n0.000000 0.529871 0.802424 O\n0.000000 0.802424 0.529871 O\n0.529871 0.802424 0.000000 O\n0.470129 0.470129 0.272554 O\n0.272554 0.470129 0.470129 O\n0.197576 0.727446 0.197576 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
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"Sb",
"O"
],
"chemical_system": "Eu-O-Sb",
"density": 6.189787327515486,
"density_atomic": 0.059323977776518315,
"volume": 674.2636198584925,
"volume_molar": 10.151276070337431,
"formula_full": "Eu6 Sb10 O24",
"formula_reduced": "Eu3Sb5O12",
"formula_anonymous": "A3B5C12",
"energy": -315.75488015,
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"updated_at": "2021-11-28T01:35:17.804000Z",
"spacegroup": 217
},
{
"id": "mp-581085",
"created_at": "2022-09-04T14:41:14.662738Z",
"structure_string": "Na14 Sr4 Fe14 F64\n1.0\n0.000000 5.505590 22.773330\n5.282687 0.000000 22.773330\n5.282687 5.505590 0.000000\nNa Sr Fe F\n14 4 14 64\ndirect\n0.000000 0.000000 0.000000 Na\n0.250000 0.250000 0.250000 Na\n0.745666 0.745666 0.254334 Na\n0.254334 0.254334 0.745666 Na\n0.504334 0.504334 0.995666 Na\n0.995666 0.995666 0.504334 Na\n0.062689 0.554596 0.440108 Na\n0.942607 0.440108 0.554596 Na\n0.440108 0.942607 0.062689 Na\n0.554596 0.062689 0.942607 Na\n0.187311 0.695404 0.809892 Na\n0.307393 0.809892 0.695404 Na\n0.809892 0.307393 0.187311 Na\n0.695404 0.187311 0.307393 Na\n0.867833 0.867833 0.132167 Sr\n0.132167 0.132167 0.867833 Sr\n0.382167 0.382167 0.117833 Sr\n0.117833 0.117833 0.382167 Sr\n0.500000 0.500000 0.500000 Fe\n0.750000 0.750000 0.750000 Fe\n0.625000 0.625000 0.125000 Fe\n0.625000 0.125000 0.625000 Fe\n0.125000 0.625000 0.625000 Fe\n0.625000 0.625000 0.625000 Fe\n0.192919 0.692579 0.279566 Fe\n0.834936 0.279566 0.692579 Fe\n0.279566 0.834936 0.192919 Fe\n0.692579 0.192919 0.834936 Fe\n0.057081 0.557421 0.970434 Fe\n0.415064 0.970434 0.557421 Fe\n0.970434 0.415064 0.057081 Fe\n0.557421 0.057081 0.415064 Fe\n0.245341 0.695194 0.059206 F\n0.000259 0.059206 0.695194 F\n0.059206 0.000259 0.245341 F\n0.695194 0.245341 0.000259 F\n0.004659 0.554806 0.190794 F\n0.249741 0.190794 0.554806 F\n0.190794 0.249741 0.004659 F\n0.554806 0.004659 0.249741 F\n0.024901 0.150404 0.734682 F\n0.090014 0.734682 0.150404 F\n0.734682 0.090014 0.024901 F\n0.150404 0.024901 0.090014 F\n0.225099 0.099596 0.515318 F\n0.159986 0.515318 0.099596 F\n0.515318 0.159986 0.225099 F\n0.099596 0.225099 0.159986 F\n0.141413 0.586038 0.390566 F\n0.881983 0.390566 0.586038 F\n0.390566 0.881983 0.141413 F\n0.586038 0.141413 0.881983 F\n0.108587 0.663962 0.859434 F\n0.368017 0.859434 0.663962 F\n0.859434 0.368017 0.108587 F\n0.663962 0.108587 0.368017 F\n0.840600 0.807314 0.984066 F\n0.368021 0.984066 0.807314 F\n0.984066 0.368021 0.840600 F\n0.807314 0.840600 0.368021 F\n0.409400 0.442686 0.265934 F\n0.881979 0.265934 0.442686 F\n0.265934 0.881979 0.409400 F\n0.442686 0.409400 0.881979 F\n0.519884 0.647086 0.126068 F\n0.706961 0.126068 0.647086 F\n0.126068 0.706961 0.519884 F\n0.647086 0.519884 0.706961 F\n0.730116 0.602914 0.123932 F\n0.543039 0.123932 0.602914 F\n0.123932 0.543039 0.730116 F\n0.602914 0.730116 0.543039 F\n0.312355 0.267594 0.485112 F\n0.934938 0.485112 0.267594 F\n0.485112 0.934938 0.312355 F\n0.267594 0.312355 0.934938 F\n0.937645 0.982406 0.764888 F\n0.315062 0.764888 0.982406 F\n0.764888 0.315062 0.937645 F\n0.982406 0.937645 0.315062 F\n0.418851 0.640444 0.323887 F\n0.616818 0.323887 0.640444 F\n0.323887 0.616818 0.418851 F\n0.640444 0.418851 0.616818 F\n0.831149 0.609556 0.926113 F\n0.633182 0.926113 0.609556 F\n0.926113 0.633182 0.831149 F\n0.609556 0.831149 0.633182 F\n0.616900 0.616900 0.383100 F\n0.383100 0.383100 0.616900 F\n0.633100 0.633100 0.866900 F\n0.866900 0.866900 0.633100 F\n0.681286 0.318714 0.318714 F\n0.318714 0.681286 0.681286 F\n0.568714 0.931286 0.931286 F\n0.931286 0.568714 0.568714 F\n",
"nsites": 96,
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"elements": [
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"Fe",
"F"
],
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"density": 3.3469989899188506,
"density_atomic": 0.07246961466447088,
"volume": 1324.6931206199056,
"volume_molar": 8.309883787684093,
"formula_full": "Na14 Sr4 Fe14 F64",
"formula_reduced": "Na7Sr2Fe7F32",
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"updated_at": "2021-11-28T01:35:29.097000Z",
"spacegroup": 70
},
{
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