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{
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"results": [
{
"id": "mp-1191420",
"created_at": "2022-09-04T14:43:37.173878Z",
"structure_string": "La6 Ti2 Be2 S14\n1.0\n5.160340 -8.937971 0.000000\n5.160340 8.937971 0.000000\n0.000000 0.000000 5.818071\nLa Ti Be S\n6 2 2 14\ndirect\n0.745143 0.136593 0.249061 La\n0.391450 0.254857 0.249061 La\n0.863407 0.608550 0.249061 La\n0.254857 0.863407 0.749061 La\n0.608550 0.745143 0.749061 La\n0.136593 0.391450 0.749061 La\n0.000000 0.000000 0.015258 Ti\n0.000000 0.000000 0.515258 Ti\n0.666667 0.333333 0.658739 Be\n0.333333 0.666667 0.158739 Be\n0.852926 0.076523 0.766185 S\n0.223597 0.147074 0.766185 S\n0.923477 0.776403 0.766185 S\n0.147074 0.923477 0.266185 S\n0.776403 0.852926 0.266185 S\n0.076523 0.223597 0.266185 S\n0.885208 0.402881 0.531927 S\n0.517674 0.114792 0.531927 S\n0.597119 0.482326 0.531927 S\n0.114792 0.597119 0.031927 S\n0.482326 0.885208 0.031927 S\n0.402881 0.517674 0.031927 S\n0.666667 0.333333 0.016587 S\n0.333333 0.666667 0.516587 S\n",
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"elements": [
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"Be",
"S"
],
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"density": 4.319562102024747,
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"volume": 536.6934198889852,
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"formula_full": "La6 Ti2 Be2 S14",
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"formula_anonymous": "ABC3D7",
"energy": -161.23005572,
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"updated_at": "2021-11-28T01:36:16.368000Z",
"spacegroup": 173
},
{
"id": "mp-1080221",
"created_at": "2022-09-04T14:43:20.463980Z",
"structure_string": "K1 Mn16 O32\n1.0\n0.000009 0.000002 -5.883754\n-0.029205 -9.893668 -0.000017\n-9.943548 0.001637 -0.000057\nK Mn O\n1 16 32\ndirect\n0.000016 0.499078 0.494523 K\n0.500001 0.167111 0.346596 Mn\n0.000006 0.165020 0.344791 Mn\n0.499989 0.349086 0.829481 Mn\n0.999991 0.347279 0.831359 Mn\n0.000000 0.651920 0.161149 Mn\n0.500002 0.650012 0.163105 Mn\n0.000003 0.833860 0.647950 Mn\n0.500005 0.831948 0.646188 Mn\n0.749865 0.667804 0.846084 Mn\n0.250139 0.667798 0.846080 Mn\n0.749787 0.848207 0.329154 Mn\n0.250216 0.848204 0.329151 Mn\n0.749825 0.150727 0.663686 Mn\n0.250172 0.150728 0.663685 Mn\n0.749875 0.331287 0.146586 Mn\n0.250120 0.331288 0.146581 Mn\n0.749479 0.956982 0.658429 O\n0.250527 0.956980 0.658430 O\n0.749385 0.664985 0.038958 O\n0.250618 0.664985 0.038958 O\n0.749417 0.334283 0.953684 O\n0.250558 0.334279 0.953683 O\n0.749400 0.041892 0.334511 O\n0.250610 0.041892 0.334509 O\n0.000000 0.456563 0.161525 O\n0.499996 0.455923 0.159704 O\n0.000007 0.168206 0.539183 O\n0.500000 0.166508 0.539816 O\n0.500001 0.832323 0.453034 O\n0.000001 0.830597 0.453609 O\n0.499999 0.543201 0.832921 O\n0.999997 0.542605 0.831427 O\n0.500002 0.797368 0.839499 O\n0.000001 0.797553 0.840685 O\n0.000002 0.845070 0.199988 O\n0.500002 0.843736 0.200125 O\n0.999999 0.201478 0.152002 O\n0.500003 0.201691 0.153243 O\n0.499999 0.155325 0.792678 O\n0.999992 0.154064 0.792818 O\n0.751916 0.297552 0.341124 O\n0.248090 0.297552 0.341120 O\n0.751831 0.346027 0.699701 O\n0.248148 0.346023 0.699703 O\n0.751861 0.701406 0.651591 O\n0.248147 0.701407 0.651592 O\n0.751816 0.652923 0.292848 O\n0.248185 0.652923 0.292849 O\n",
"nsites": 49,
"nelements": 3,
"elements": [
"K",
"Mn",
"O"
],
"chemical_system": "K-Mn-O",
"density": 4.102592487027794,
"density_atomic": 0.08465305878002335,
"volume": 578.8331893278634,
"volume_molar": 7.1139080463104545,
"formula_full": "K1 Mn16 O32",
"formula_reduced": "KMn16O32",
"formula_anonymous": "AB16C32",
"energy": -396.83753634,
"energy_per_atom": -8.09872523142857,
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"updated_at": "2021-11-28T01:36:15.939000Z",
"spacegroup": 83
},
{
"id": "mp-864918",
"created_at": "2022-09-04T14:43:20.465829Z",
"structure_string": "Np2 N4\n1.0\n4.907319 0.000000 0.000000\n0.000000 4.907319 0.000000\n0.000000 0.000000 3.479876\nNp N\n2 4\ndirect\n0.500000 0.500000 0.000000 Np\n0.000000 0.000000 0.500000 Np\n0.818021 0.818021 0.000000 N\n0.181979 0.181979 0.000000 N\n0.681979 0.318021 0.500000 N\n0.318021 0.681979 0.500000 N\n",
"nsites": 6,
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"elements": [
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"N"
],
"chemical_system": "N-Np",
"density": 10.502545649358574,
"density_atomic": 0.07159767195993112,
"volume": 83.80160745111708,
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"formula_full": "Np2 N4",
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"formula_anonymous": "AB2",
"energy": -65.66004186,
"energy_per_atom": -10.943340310000002,
"energy_above_hull": null,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:36:06.414000Z",
"spacegroup": 136
},
{
"id": "mp-1041877",
"created_at": "2022-09-04T14:43:20.468918Z",
"structure_string": "Zn8 Si16 W8 O48\n1.0\n5.390879 0.000000 0.000000\n0.000000 9.482997 0.000000\n0.000000 0.000000 19.091179\nZn Si W O\n8 16 8 48\ndirect\n0.615028 0.144603 0.372631 Zn\n0.384972 0.855397 0.627369 Zn\n0.615028 0.644603 0.127369 Zn\n0.115028 0.855397 0.127369 Zn\n0.884972 0.144603 0.872631 Zn\n0.384972 0.355397 0.872631 Zn\n0.115028 0.355397 0.372631 Zn\n0.884972 0.644603 0.627369 Zn\n0.567913 0.671204 0.770007 Si\n0.733854 0.837400 0.481504 Si\n0.766146 0.837400 0.981504 Si\n0.932087 0.171204 0.229993 Si\n0.067913 0.328796 0.729993 Si\n0.432087 0.828796 0.270007 Si\n0.233854 0.662600 0.481504 Si\n0.733854 0.337400 0.018496 Si\n0.766146 0.337400 0.518496 Si\n0.932087 0.671204 0.270007 Si\n0.432087 0.328796 0.229993 Si\n0.567913 0.171204 0.729993 Si\n0.266146 0.162600 0.518496 Si\n0.067913 0.828796 0.770007 Si\n0.266146 0.662600 0.981504 Si\n0.233854 0.162600 0.018496 Si\n0.369144 0.970845 0.875466 W\n0.630856 0.029155 0.124534 W\n0.869144 0.029155 0.624534 W\n0.130856 0.970845 0.375466 W\n0.369144 0.470845 0.624534 W\n0.630856 0.529155 0.375466 W\n0.869144 0.529155 0.875466 W\n0.130856 0.470845 0.124534 W\n0.954278 0.516754 0.305949 O\n0.285283 0.018204 0.062693 O\n0.045722 0.483246 0.694051 O\n0.729359 0.344757 0.932058 O\n0.229359 0.155243 0.932058 O\n0.961554 0.228341 0.041121 O\n0.922316 0.691911 0.186280 O\n0.077684 0.808089 0.686280 O\n0.729359 0.844757 0.567942 O\n0.922316 0.191911 0.313720 O\n0.454278 0.483246 0.194051 O\n0.770641 0.344757 0.432058 O\n0.714717 0.981796 0.937307 O\n0.422316 0.808089 0.186280 O\n0.545722 0.016754 0.694051 O\n0.285283 0.518204 0.437307 O\n0.454278 0.983246 0.305949 O\n0.153358 0.776378 0.303724 O\n0.346642 0.776378 0.803724 O\n0.538446 0.728341 0.958879 O\n0.770641 0.844757 0.067942 O\n0.577684 0.691911 0.686280 O\n0.785283 0.481796 0.062693 O\n0.153358 0.276378 0.196276 O\n0.270641 0.155243 0.432058 O\n0.577684 0.191911 0.813720 O\n0.714717 0.481796 0.562693 O\n0.229359 0.655243 0.567942 O\n0.214717 0.518204 0.937307 O\n0.653358 0.723622 0.303724 O\n0.045722 0.983246 0.805949 O\n0.846642 0.723622 0.803724 O\n0.846642 0.223622 0.696276 O\n0.785283 0.981796 0.437307 O\n0.270641 0.655243 0.067942 O\n0.214717 0.018204 0.562693 O\n0.346642 0.276378 0.696276 O\n0.038446 0.771659 0.958879 O\n0.461554 0.771659 0.458879 O\n0.653358 0.223622 0.196276 O\n0.461554 0.271659 0.041121 O\n0.538446 0.228341 0.541121 O\n0.038446 0.271659 0.541121 O\n0.422316 0.308089 0.313720 O\n0.545722 0.516754 0.805949 O\n0.961554 0.728341 0.458879 O\n0.077684 0.308089 0.813720 O\n0.954278 0.016754 0.194051 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Zn",
"Si",
"W",
"O"
],
"chemical_system": "O-Si-W-Zn",
"density": 5.463818312151665,
"density_atomic": 0.08196945360033578,
"volume": 975.9733228192738,
"volume_molar": 7.346810910028234,
"formula_full": "Zn8 Si16 W8 O48",
"formula_reduced": "ZnSi2WO6",
"formula_anonymous": "ABC2D6",
"energy": -619.4795876000001,
"energy_per_atom": -7.743494845000001,
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"updated_at": "2021-11-28T01:36:13.750000Z",
"spacegroup": 61
},
{
"id": "mp-761085",
"created_at": "2022-09-04T14:43:35.803200Z",
"structure_string": "Na9 Mn21 O40\n1.0\n4.598240 4.230356 0.000000\n-4.598240 4.230356 0.000000\n0.000000 4.018698 21.081054\nNa Mn O\n9 21 40\ndirect\n0.763178 0.430088 0.801615 Na\n0.364678 0.035495 0.599879 Na\n0.436271 0.563729 0.500000 Na\n0.835164 0.962438 0.700238 Na\n0.037562 0.164836 0.299762 Na\n0.964505 0.635322 0.400121 Na\n0.569912 0.236822 0.198385 Na\n0.634142 0.773603 0.101849 Na\n0.226397 0.365858 0.898151 Na\n0.002741 0.893067 0.850421 Mn\n0.099836 0.498766 0.650080 Mn\n0.299995 0.699047 0.749566 Mn\n0.500237 0.897033 0.849557 Mn\n0.299077 0.199570 0.750337 Mn\n0.600245 0.498486 0.650252 Mn\n0.199958 0.099147 0.450287 Mn\n0.900853 0.800042 0.549713 Mn\n0.501234 0.900164 0.349920 Mn\n0.102967 0.499763 0.150443 Mn\n0.899955 0.298884 0.550193 Mn\n0.701116 0.100045 0.449807 Mn\n0.300953 0.700005 0.250434 Mn\n0.501514 0.399755 0.349748 Mn\n0.800430 0.700923 0.249663 Mn\n0.106933 0.997259 0.149579 Mn\n0.172388 0.827612 0.000000 Mn\n0.694806 0.599137 0.950814 Mn\n0.400863 0.305194 0.049186 Mn\n0.896159 0.304431 0.049057 Mn\n0.695569 0.103841 0.950943 Mn\n0.078543 0.469201 0.742307 O\n0.270298 0.677713 0.841088 O\n0.272362 0.098740 0.843250 O\n0.098896 0.929082 0.756804 O\n0.501512 0.469868 0.743272 O\n0.521139 0.930101 0.757722 O\n0.120373 0.529464 0.558015 O\n0.330465 0.719749 0.657632 O\n0.870912 0.699820 0.643191 O\n0.699006 0.527924 0.557127 O\n0.100864 0.069910 0.543316 O\n0.329169 0.297895 0.657168 O\n0.679610 0.068235 0.542379 O\n0.869937 0.277829 0.642282 O\n0.280251 0.669535 0.342368 O\n0.069899 0.478861 0.242278 O\n0.470536 0.879627 0.441985 O\n0.530132 0.498488 0.256728 O\n0.930090 0.899136 0.456684 O\n0.070918 0.901104 0.243196 O\n0.472076 0.300994 0.442873 O\n0.702105 0.670831 0.342832 O\n0.300180 0.129088 0.356809 O\n0.530799 0.921457 0.257693 O\n0.931765 0.320390 0.457621 O\n0.322287 0.729702 0.158912 O\n0.722171 0.130063 0.357718 O\n0.135822 0.534313 0.055578 O\n0.151522 0.072887 0.054649 O\n0.653970 0.515998 0.043133 O\n0.901260 0.727638 0.156750 O\n0.301679 0.271237 0.142583 O\n0.465687 0.864178 0.944422 O\n0.888556 0.265089 0.141112 O\n0.661929 0.085303 0.042874 O\n0.484002 0.346030 0.956867 O\n0.927113 0.848478 0.945351 O\n0.728763 0.698321 0.857417 O\n0.914697 0.338071 0.957126 O\n0.734911 0.111444 0.858888 O\n",
"nsites": 70,
"nelements": 3,
"elements": [
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"Mn",
"O"
],
"chemical_system": "Mn-Na-O",
"density": 4.050557253332117,
"density_atomic": 0.08535071668256457,
"volume": 820.145427253332,
"volume_molar": 7.0557588665570075,
"formula_full": "Na9 Mn21 O40",
"formula_reduced": "Na9Mn21O40",
"formula_anonymous": "A9B21C40",
"energy": -539.18130238,
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"energy_above_hull": null,
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"energy_uncorrected": -476.67330238,
"band_gap": 0.2556000000000002,
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"updated_at": "2021-11-28T01:36:22.436000Z",
"spacegroup": 5
},
{
"id": "mp-1209163",
"created_at": "2022-09-04T14:43:20.477355Z",
"structure_string": "Tb4 Se6 O40\n1.0\n0.000000 -7.005753 0.000000\n-6.149340 3.502877 1.275085\n-0.643002 0.000000 -19.738603\nTb Se O\n4 6 40\ndirect\n0.821855 0.678823 0.607015 Tb\n0.178145 0.321177 0.392985 Tb\n0.143031 0.321177 0.892985 Tb\n0.856969 0.678823 0.107015 Tb\n0.766836 0.590149 0.916005 Se\n0.233164 0.409851 0.083995 Se\n0.176686 0.409851 0.583995 Se\n0.823314 0.590149 0.416005 Se\n0.713333 0.000000 0.750000 Se\n0.286667 0.000000 0.250000 Se\n0.342663 0.613005 0.819615 O\n0.657337 0.386995 0.180385 O\n0.729658 0.386995 0.680385 O\n0.270342 0.613005 0.319615 O\n0.320433 0.698049 0.927050 O\n0.679567 0.301951 0.072950 O\n0.622384 0.301951 0.572950 O\n0.377616 0.698049 0.427050 O\n0.509735 0.404131 0.887084 O\n0.490265 0.595869 0.112916 O\n0.105604 0.595869 0.612916 O\n0.894396 0.404131 0.387084 O\n0.788277 0.709739 0.996718 O\n0.211723 0.290261 0.003282 O\n0.078538 0.290261 0.503282 O\n0.921462 0.709739 0.496718 O\n0.537631 0.934413 0.813651 O\n0.462369 0.065587 0.186349 O\n0.603218 0.065587 0.686349 O\n0.396782 0.934413 0.313651 O\n0.850663 0.772788 0.861773 O\n0.149337 0.227212 0.138227 O\n0.077875 0.227212 0.638227 O\n0.922125 0.772788 0.361773 O\n0.449239 0.530869 0.587644 O\n0.550761 0.469131 0.412356 O\n0.918370 0.469131 0.912356 O\n0.081630 0.530869 0.087644 O\n0.189888 0.002958 0.861934 O\n0.810112 0.997042 0.138066 O\n0.186930 0.997042 0.638066 O\n0.813070 0.002958 0.361934 O\n0.769682 0.976891 0.581276 O\n0.230318 0.023109 0.418724 O\n0.792791 0.023109 0.918724 O\n0.207209 0.976891 0.081276 O\n0.748362 0.794878 0.714179 O\n0.251638 0.205122 0.285821 O\n0.953484 0.205122 0.785821 O\n0.046516 0.794878 0.214179 O\n",
"nsites": 50,
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"volume": 856.0978546013885,
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"formula_full": "Tb4 Se6 O40",
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"energy": -276.27803121,
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"spacegroup": 15
},
{
"id": "mp-1096707",
"created_at": "2022-09-04T14:43:36.146734Z",
"structure_string": "Y2 Hg1 Pt1\n1.0\n-5.714323 6.244516 8.879777\n5.714323 -6.244516 8.879777\n5.714323 6.244516 -8.879777\nY Hg Pt\n2 1 1\ndirect\n0.000000 0.220799 0.220799 Y\n0.000000 0.779201 0.779201 Y\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 4,
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"elements": [
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"Pt"
],
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"density": 0.7513565419719944,
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"volume": 1267.4347740249564,
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"formula_full": "Y2 Hg1 Pt1",
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"updated_at": "2021-11-28T01:36:15.732000Z",
"spacegroup": 71
},
{
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{
"id": "mp-773144",
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"structure_string": "Mn3 V2 Cr3 O16\n1.0\n5.872995 0.000000 0.000000\n-2.908007 -5.105011 0.000000\n-0.074677 0.040933 -8.834048\nMn V Cr O\n3 2 3 16\ndirect\n0.343774 0.172100 0.209519 Mn\n0.171668 0.340166 0.713020 Mn\n0.171795 0.831881 0.712756 Mn\n0.667368 0.335034 0.502126 V\n0.337375 0.669780 0.001137 V\n0.836131 0.176978 0.219650 Cr\n0.830704 0.660616 0.208908 Cr\n0.662072 0.831248 0.712510 Cr\n0.826084 0.176147 0.596392 O\n0.948818 0.467699 0.343585 O\n0.663101 0.321800 0.100404 O\n0.004440 0.010392 0.303672 O\n0.010649 0.005518 0.812256 O\n0.826634 0.650066 0.595019 O\n0.521336 0.046896 0.339325 O\n0.518745 0.468888 0.339120 O\n0.649162 0.827721 0.094351 O\n0.347442 0.173023 0.596926 O\n0.470095 0.518256 0.841299 O\n0.469235 0.951239 0.841114 O\n0.323677 0.661495 0.601858 O\n0.176411 0.352876 0.097122 O\n0.045778 0.523666 0.837058 O\n0.177503 0.826316 0.096595 O\n",
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],
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"formula_full": "Mn3 V2 Cr3 O16",
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},
{
"id": "mp-554162",
"created_at": "2022-09-04T14:43:20.497674Z",
"structure_string": "Ca16 Mn12 O40\n1.0\n5.340001 0.000000 0.000000\n0.000000 5.391315 0.000000\n0.000000 0.000000 27.053394\nCa Mn O\n16 12 40\ndirect\n0.506427 0.959205 0.704692 Ca\n0.993573 0.040795 0.204692 Ca\n0.493573 0.459205 0.795308 Ca\n0.006658 0.457390 0.430541 Ca\n0.993342 0.542610 0.569459 Ca\n0.993573 0.459205 0.704692 Ca\n0.006427 0.540795 0.295308 Ca\n0.006427 0.959205 0.795308 Ca\n0.493573 0.040795 0.295308 Ca\n0.993342 0.957390 0.069459 Ca\n0.506658 0.457390 0.069459 Ca\n0.506658 0.042610 0.569459 Ca\n0.493342 0.957390 0.430541 Ca\n0.493342 0.542610 0.930541 Ca\n0.006658 0.042610 0.930541 Ca\n0.506427 0.540795 0.204692 Ca\n0.000159 0.501935 0.140806 Mn\n0.500159 0.998065 0.859194 Mn\n0.499841 0.001935 0.140806 Mn\n0.500159 0.501935 0.359194 Mn\n0.499841 0.498065 0.640806 Mn\n0.500000 0.000000 0.000000 Mn\n0.999841 0.001935 0.359194 Mn\n0.999841 0.498065 0.859194 Mn\n0.000000 0.500000 0.000000 Mn\n0.000159 0.998065 0.640806 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.946747 0.008227 0.711189 O\n0.707028 0.790401 0.630232 O\n0.208742 0.791859 0.150743 O\n0.075558 0.980630 0.569999 O\n0.792972 0.290401 0.630232 O\n0.792972 0.209599 0.130232 O\n0.924442 0.019370 0.430001 O\n0.053253 0.991773 0.288811 O\n0.294096 0.292468 0.988753 O\n0.707028 0.709599 0.130232 O\n0.708742 0.708141 0.849257 O\n0.794096 0.207532 0.011247 O\n0.575558 0.519370 0.430001 O\n0.424442 0.019370 0.069999 O\n0.205904 0.707532 0.488753 O\n0.708742 0.791859 0.349257 O\n0.446747 0.491773 0.288811 O\n0.446747 0.008227 0.788811 O\n0.791258 0.208141 0.849257 O\n0.791258 0.291859 0.349257 O\n0.794096 0.292468 0.511247 O\n0.291258 0.291859 0.150743 O\n0.207028 0.709599 0.369768 O\n0.575558 0.980630 0.930001 O\n0.705904 0.792468 0.511247 O\n0.294096 0.207532 0.488753 O\n0.208742 0.708141 0.650743 O\n0.291258 0.208141 0.650743 O\n0.292972 0.209599 0.369768 O\n0.205904 0.792468 0.988753 O\n0.207028 0.790401 0.869768 O\n0.075558 0.519370 0.069999 O\n0.292972 0.290401 0.869768 O\n0.053253 0.508227 0.788811 O\n0.924442 0.480630 0.930001 O\n0.553253 0.991773 0.211189 O\n0.946747 0.491773 0.211189 O\n0.553253 0.508227 0.711189 O\n0.424442 0.480630 0.569999 O\n0.705904 0.707532 0.011247 O\n",
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"elements": [
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],
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"density": 4.1371435109428205,
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"volume": 778.8571356357762,
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"formula_full": "Ca16 Mn12 O40",
"formula_reduced": "Ca4Mn3O10",
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"updated_at": "2021-11-28T01:36:18.173000Z",
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},
{
"id": "mp-1217545",
"created_at": "2022-09-04T14:43:33.063943Z",
"structure_string": "Tb1 Fe11 Mo1\n1.0\n0.000000 0.000000 4.699563\n-4.247107 4.269901 2.349782\n-4.247107 -4.269901 -2.349782\nTb Fe Mo\n1 11 1\ndirect\n0.006582 0.993418 0.006582 Tb\n0.729486 0.770514 0.229486 Fe\n0.272582 0.227418 0.772582 Fe\n0.498399 0.778860 0.775659 Fe\n0.498399 0.224341 0.221140 Fe\n0.500589 0.998002 0.499894 Fe\n0.001303 0.998002 0.499894 Fe\n0.500589 0.500106 0.001998 Fe\n0.001303 0.500106 0.001998 Fe\n0.358666 0.641334 0.358666 Fe\n0.999307 0.359264 0.357877 Fe\n0.999307 0.642123 0.640736 Fe\n0.633487 0.366513 0.633487 Mo\n",
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],
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},
{
"id": "mp-1076502",
"created_at": "2022-09-04T14:43:20.506105Z",
"structure_string": "Sr16 Ca16 Fe12 Co20 O80\n1.0\n0.018480 -0.008169 10.775164\n11.230821 -0.003312 0.018703\n-5.629296 15.675813 -5.408225\nSr Ca Fe Co O\n16 16 12 20 80\ndirect\n0.307083 0.561796 0.611093 Sr\n0.807853 0.067648 0.608743 Sr\n0.806170 0.564041 0.611662 Sr\n0.189312 0.432425 0.383191 Sr\n0.197896 0.438577 0.896078 Sr\n0.694383 0.434833 0.382434 Sr\n0.694770 0.933840 0.384968 Sr\n0.703236 0.939307 0.895219 Sr\n0.060005 0.293673 0.610144 Sr\n0.056334 0.797523 0.610334 Sr\n0.561801 0.299474 0.610539 Sr\n0.553757 0.797703 0.609674 Sr\n0.447787 0.199903 0.385302 Sr\n0.450956 0.204144 0.894018 Sr\n0.946578 0.199278 0.384446 Sr\n0.950254 0.205108 0.895453 Sr\n0.307834 0.069720 0.105098 Ca\n0.307051 0.065553 0.606122 Ca\n0.302108 0.565906 0.108974 Ca\n0.807185 0.070872 0.106757 Ca\n0.804005 0.563040 0.109932 Ca\n0.197235 0.927229 0.387491 Ca\n0.202586 0.935995 0.898264 Ca\n0.696158 0.435175 0.899070 Ca\n0.054329 0.291478 0.107117 Ca\n0.051692 0.789443 0.108204 Ca\n0.552449 0.292364 0.106152 Ca\n0.553151 0.786465 0.104916 Ca\n0.440738 0.710320 0.387189 Ca\n0.446717 0.715059 0.896941 Ca\n0.940116 0.702171 0.387405 Ca\n0.949581 0.715217 0.898584 Ca\n0.113675 0.089859 0.754760 Fe\n0.109347 0.597309 0.755640 Fe\n0.603883 0.083777 0.242009 Fe\n0.605172 0.095055 0.750598 Fe\n0.609684 0.593948 0.757966 Fe\n0.353081 0.413645 0.245027 Fe\n0.362069 0.411862 0.755168 Fe\n0.348438 0.904115 0.244651 Fe\n0.356515 0.907537 0.752273 Fe\n0.858231 0.417067 0.759074 Fe\n0.858540 0.901920 0.243256 Fe\n0.861599 0.908424 0.752437 Fe\n0.012013 0.001841 0.005529 Co\n0.003365 0.994687 0.493197 Co\n0.004541 0.501240 0.002744 Co\n0.001794 0.499260 0.499014 Co\n0.511873 0.003546 0.006454 Co\n0.502770 0.999153 0.496892 Co\n0.506444 0.501485 0.003029 Co\n0.500620 0.494875 0.490675 Co\n0.259005 0.252443 0.005254 Co\n0.255481 0.245651 0.497019 Co\n0.258753 0.753159 0.005635 Co\n0.250378 0.747108 0.495174 Co\n0.758964 0.255208 0.006407 Co\n0.754092 0.248928 0.494261 Co\n0.758334 0.749234 0.003090 Co\n0.749817 0.749056 0.497141 Co\n0.107550 0.088550 0.245121 Co\n0.103115 0.595968 0.246157 Co\n0.606222 0.593989 0.245174 Co\n0.854748 0.408327 0.244907 Co\n0.126812 0.105118 0.489596 O\n0.130196 0.116405 0.994153 O\n0.112554 0.614741 0.486471 O\n0.120112 0.626079 0.994029 O\n0.626391 0.122349 0.488732 O\n0.630105 0.123831 0.996668 O\n0.610945 0.618983 0.487894 O\n0.620172 0.619274 0.988863 O\n0.137698 0.382534 0.020413 O\n0.131760 0.374174 0.505753 O\n0.143527 0.875930 0.013640 O\n0.133476 0.863701 0.500825 O\n0.638540 0.383649 0.017878 O\n0.635835 0.376090 0.505596 O\n0.643538 0.873695 0.015408 O\n0.624769 0.876734 0.501688 O\n0.376459 0.112911 0.489085 O\n0.375575 0.116579 0.992379 O\n0.363430 0.626808 0.486634 O\n0.373371 0.628303 0.993414 O\n0.875526 0.122929 0.489591 O\n0.881316 0.123320 0.998264 O\n0.869698 0.621406 0.487367 O\n0.869941 0.622525 0.990157 O\n0.387624 0.389831 0.017286 O\n0.385333 0.385566 0.502746 O\n0.393748 0.885776 0.017118 O\n0.377970 0.883064 0.507429 O\n0.884053 0.388868 0.015670 O\n0.883897 0.381956 0.503636 O\n0.895611 0.885847 0.018542 O\n0.886293 0.881953 0.502191 O\n0.097187 0.103797 0.143924 O\n0.096282 0.088509 0.643514 O\n0.082853 0.604857 0.141687 O\n0.077479 0.594097 0.641918 O\n0.592926 0.107080 0.139918 O\n0.583819 0.094758 0.639778 O\n0.586236 0.604683 0.140856 O\n0.582264 0.594917 0.646240 O\n0.436203 0.404567 0.355306 O\n0.448685 0.403927 0.863894 O\n0.436151 0.898469 0.355045 O\n0.450352 0.898930 0.860807 O\n0.932064 0.403165 0.352153 O\n0.946533 0.404556 0.866010 O\n0.945105 0.896730 0.354945 O\n0.950953 0.898582 0.861376 O\n0.341988 0.288996 0.140144 O\n0.337178 0.293549 0.644568 O\n0.335499 0.782053 0.138920 O\n0.325498 0.792773 0.641162 O\n0.844231 0.293605 0.142204 O\n0.837924 0.304795 0.648604 O\n0.840706 0.777972 0.137386 O\n0.829394 0.797616 0.640023 O\n0.185679 0.196185 0.353148 O\n0.194073 0.207591 0.864892 O\n0.194180 0.704321 0.353658 O\n0.205135 0.715345 0.863184 O\n0.687993 0.198383 0.352652 O\n0.688110 0.212171 0.861382 O\n0.693241 0.696258 0.353811 O\n0.706969 0.710936 0.865238 O\n0.422374 0.056907 0.238721 O\n0.423260 0.062865 0.744823 O\n0.424227 0.573032 0.247769 O\n0.431080 0.574853 0.760752 O\n0.923249 0.057576 0.238353 O\n0.933535 0.065031 0.751466 O\n0.924456 0.571232 0.248898 O\n0.933075 0.577043 0.762654 O\n0.171726 0.433193 0.239594 O\n0.182679 0.439315 0.753729 O\n0.169940 0.924878 0.246521 O\n0.181543 0.932590 0.761030 O\n0.671686 0.431342 0.237872 O\n0.678624 0.435598 0.761415 O\n0.676069 0.924906 0.238441 O\n0.684082 0.941035 0.753254 O\n",
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],
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"density": 4.528937617529501,
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"volume": 1896.2905676137384,
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"formula_full": "Sr16 Ca16 Fe12 Co20 O80",
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"updated_at": "2021-11-28T01:36:08.582000Z",
"spacegroup": 1
}
]
}