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{
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{
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{
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"structure_string": "Ca2 Sn2 O6\n1.0\n5.406576 -2.785373 0.000000\n5.406576 2.785373 0.000000\n3.971600 0.000000 4.606057\nCa Sn O\n2 2 6\ndirect\n0.362733 0.362733 0.362733 Ca\n0.637267 0.637267 0.637267 Ca\n0.154258 0.154258 0.154258 Sn\n0.845742 0.845742 0.845742 Sn\n0.443701 0.791553 0.035811 O\n0.035811 0.443701 0.791553 O\n0.791553 0.035811 0.443701 O\n0.556299 0.208447 0.964189 O\n0.208447 0.964189 0.556299 O\n0.964189 0.556299 0.208447 O\n",
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{
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{
"id": "mp-18291",
"created_at": "2022-09-04T14:41:57.407630Z",
"structure_string": "Ba8 Sb8 Te24\n1.0\n4.617072 0.000000 0.000000\n0.000000 17.357667 0.000000\n0.000000 0.000000 18.358502\nBa Sb Te\n8 8 24\ndirect\n0.258350 0.540151 0.666294 Ba\n0.758350 0.959849 0.333706 Ba\n0.741650 0.040151 0.833706 Ba\n0.241650 0.459849 0.166294 Ba\n0.262574 0.396027 0.904503 Ba\n0.762574 0.103973 0.095497 Ba\n0.737426 0.896027 0.595497 Ba\n0.237426 0.603973 0.404503 Ba\n0.775404 0.281176 0.699550 Sb\n0.275404 0.218824 0.300450 Sb\n0.224596 0.781176 0.800450 Sb\n0.724596 0.718824 0.199550 Sb\n0.729124 0.632309 0.970918 Sb\n0.229124 0.867691 0.029082 Sb\n0.270876 0.132309 0.529082 Sb\n0.770876 0.367691 0.470918 Sb\n0.752145 0.475102 0.025385 Te\n0.252145 0.024898 0.974615 Te\n0.247855 0.975102 0.474615 Te\n0.747855 0.524898 0.525385 Te\n0.691545 0.288324 0.191852 Te\n0.191545 0.211676 0.808148 Te\n0.308455 0.788324 0.308148 Te\n0.808455 0.711676 0.691852 Te\n0.279512 0.681165 0.091963 Te\n0.779512 0.818835 0.908037 Te\n0.720488 0.181165 0.408037 Te\n0.220488 0.318835 0.591963 Te\n0.212845 0.736808 0.558677 Te\n0.712845 0.763192 0.441323 Te\n0.787155 0.236808 0.941323 Te\n0.287155 0.263192 0.058677 Te\n0.238192 0.397306 0.368394 Te\n0.738192 0.102694 0.631606 Te\n0.761808 0.897306 0.131606 Te\n0.261808 0.602694 0.868394 Te\n0.739089 0.567042 0.267027 Te\n0.239089 0.932958 0.732973 Te\n0.260911 0.067042 0.232973 Te\n0.760911 0.432958 0.767027 Te\n",
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{
"id": "mp-1207932",
"created_at": "2022-09-04T14:41:57.533145Z",
"structure_string": "Tm3 Ga9 Os3\n1.0\n6.397716 0.000000 0.000000\n0.000000 6.397716 0.000000\n0.000000 0.000000 6.397716\nTm Ga Os\n3 9 3\ndirect\n0.500000 0.000000 0.000000 Tm\n0.000000 0.500000 0.000000 Tm\n0.000000 0.000000 0.500000 Tm\n0.286429 0.286429 0.286429 Ga\n0.713571 0.713571 0.713571 Ga\n0.713571 0.713571 0.286429 Ga\n0.713571 0.286429 0.713571 Ga\n0.286429 0.286429 0.713571 Ga\n0.286429 0.713571 0.286429 Ga\n0.286429 0.713571 0.713571 Ga\n0.713571 0.286429 0.286429 Ga\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Os\n0.500000 0.000000 0.500000 Os\n0.500000 0.500000 0.000000 Os\n",
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"elements": [
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],
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"density": 10.81181271454358,
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"volume": 261.86344222788034,
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"formula_full": "Tm3 Ga9 Os3",
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{
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"structure_string": "Pm1 Be1 O3\n1.0\n3.638462 0.000000 0.000000\n0.000000 3.638462 0.000000\n0.000000 0.000000 3.638462\nPm Be O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.500000 Be\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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{
"id": "mp-777352",
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"structure_string": "Li16 Mn16 F48\n1.0\n5.739886 0.000000 0.000000\n0.000000 9.314545 0.000000\n0.000000 0.000000 19.716800\nLi Mn F\n16 16 48\ndirect\n0.331329 0.666773 0.031130 Li\n0.831329 0.833227 0.031130 Li\n0.544702 0.664826 0.226884 Li\n0.044702 0.835174 0.226884 Li\n0.544702 0.164826 0.273116 Li\n0.044702 0.335174 0.273116 Li\n0.331329 0.166773 0.468870 Li\n0.831329 0.333227 0.468870 Li\n0.168671 0.666773 0.531130 Li\n0.668671 0.833227 0.531130 Li\n0.955298 0.664826 0.726884 Li\n0.455298 0.835174 0.726884 Li\n0.955298 0.164826 0.773116 Li\n0.455298 0.335174 0.773116 Li\n0.168671 0.166773 0.968870 Li\n0.668671 0.333227 0.968870 Li\n0.337867 0.962617 0.120504 Mn\n0.837867 0.537383 0.120504 Mn\n0.342518 0.344577 0.121774 Mn\n0.842518 0.155423 0.121774 Mn\n0.842518 0.655423 0.378226 Mn\n0.342518 0.844577 0.378226 Mn\n0.837867 0.037383 0.379496 Mn\n0.337867 0.462617 0.379496 Mn\n0.662133 0.537383 0.620504 Mn\n0.162133 0.962617 0.620504 Mn\n0.657482 0.155423 0.621774 Mn\n0.157482 0.344577 0.621774 Mn\n0.657482 0.655423 0.878226 Mn\n0.157482 0.844577 0.878226 Mn\n0.662133 0.037383 0.879496 Mn\n0.162133 0.462617 0.879496 Mn\n0.655338 0.665877 0.051568 F\n0.155338 0.834123 0.051568 F\n0.181054 0.164727 0.067957 F\n0.681054 0.335273 0.067957 F\n0.164534 0.513771 0.072343 F\n0.664534 0.986229 0.072343 F\n0.509992 0.159090 0.175024 F\n0.009992 0.340910 0.175024 F\n0.032455 0.014684 0.180409 F\n0.532455 0.485316 0.180409 F\n0.352964 0.805949 0.194084 F\n0.852964 0.694051 0.194084 F\n0.852964 0.194051 0.305916 F\n0.352964 0.305949 0.305916 F\n0.032455 0.514684 0.319591 F\n0.532455 0.985316 0.319591 F\n0.509992 0.659090 0.324976 F\n0.009992 0.840910 0.324976 F\n0.164534 0.013771 0.427657 F\n0.664534 0.486229 0.427657 F\n0.181054 0.664727 0.432043 F\n0.681054 0.835273 0.432043 F\n0.655338 0.165877 0.448432 F\n0.155338 0.334123 0.448432 F\n0.844662 0.665877 0.551568 F\n0.344662 0.834123 0.551568 F\n0.318946 0.164727 0.567957 F\n0.818946 0.335273 0.567957 F\n0.335466 0.513771 0.572343 F\n0.835466 0.986229 0.572343 F\n0.990008 0.159090 0.675024 F\n0.490008 0.340910 0.675024 F\n0.467545 0.014684 0.680409 F\n0.967545 0.485316 0.680409 F\n0.647036 0.694051 0.694084 F\n0.147036 0.805949 0.694084 F\n0.647036 0.194051 0.805916 F\n0.147036 0.305949 0.805916 F\n0.467545 0.514684 0.819591 F\n0.967545 0.985316 0.819591 F\n0.990008 0.659090 0.824976 F\n0.490008 0.840910 0.824976 F\n0.335466 0.013771 0.927657 F\n0.835466 0.486229 0.927657 F\n0.318946 0.664727 0.932043 F\n0.818946 0.835273 0.932043 F\n0.844662 0.165877 0.948432 F\n0.344662 0.334123 0.948432 F\n",
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{
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"structure_string": "Cs4 Ga4 Se12\n1.0\n13.298426 0.000000 0.000000\n0.000000 6.912035 0.000000\n0.000000 2.266930 7.640146\nCs Ga Se\n4 4 12\ndirect\n0.580891 0.785679 0.746825 Cs\n0.080891 0.714321 0.253175 Cs\n0.419109 0.214321 0.253175 Cs\n0.919109 0.285679 0.746825 Cs\n0.727994 0.857122 0.182487 Ga\n0.227994 0.642878 0.817513 Ga\n0.272006 0.142878 0.817513 Ga\n0.772006 0.357122 0.182487 Ga\n0.921502 0.153535 0.294307 Se\n0.421502 0.346465 0.705693 Se\n0.078498 0.846465 0.705693 Se\n0.578498 0.653535 0.294307 Se\n0.325797 0.813015 0.993688 Se\n0.825797 0.686985 0.006312 Se\n0.674203 0.186985 0.006312 Se\n0.174203 0.313015 0.993688 Se\n0.824479 0.863585 0.444201 Se\n0.324479 0.636415 0.555799 Se\n0.175521 0.136415 0.555799 Se\n0.675521 0.363585 0.444201 Se\n",
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{
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"structure_string": "Yb1 Tc1 O3\n1.0\n3.903073 0.000000 0.000000\n0.000000 3.903073 0.000000\n0.000000 0.000000 3.903073\nYb Tc O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Tc\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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