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{
"id": "mp-1194796",
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{
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"formula_full": "La4 Ge4",
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{
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"structure_string": "Na10 Sc2 H8 C8 O28\n1.0\n7.565862 0.000000 0.000000\n0.000000 7.565862 0.000000\n0.000000 0.000000 11.630554\nNa Sc H C O\n10 2 8 8 28\ndirect\n0.679947 0.819215 0.709037 Na\n0.320053 0.180785 0.709037 Na\n0.680785 0.820053 0.209037 Na\n0.180785 0.679947 0.290963 Na\n0.819215 0.320053 0.290963 Na\n0.820053 0.319215 0.790963 Na\n0.179947 0.680785 0.790963 Na\n0.319215 0.179947 0.209037 Na\n0.000000 0.000000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.500000 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 Sc\n0.914656 0.560021 0.615343 H\n0.085344 0.439979 0.615343 H\n0.939979 0.585344 0.115343 H\n0.439979 0.914656 0.384657 H\n0.560021 0.085344 0.384657 H\n0.585344 0.060021 0.884657 H\n0.414656 0.939979 0.884657 H\n0.060021 0.414656 0.115343 H\n0.823340 0.719675 0.922917 C\n0.176660 0.280325 0.922917 C\n0.780325 0.676660 0.422917 C\n0.280325 0.823340 0.077083 C\n0.323340 0.780325 0.577083 C\n0.219675 0.323340 0.422917 C\n0.719675 0.176660 0.077083 C\n0.676660 0.219675 0.577083 C\n0.657904 0.252850 0.466175 O\n0.842096 0.752850 0.033825 O\n0.252850 0.342096 0.533825 O\n0.747150 0.657904 0.533825 O\n0.330808 0.406891 0.355219 O\n0.342096 0.747150 0.466175 O\n0.593109 0.330808 0.644781 O\n0.830808 0.093109 0.144781 O\n0.169192 0.906891 0.144781 O\n0.669192 0.593109 0.355219 O\n0.093109 0.169192 0.855219 O\n0.906891 0.830808 0.855219 O\n0.092984 0.231288 0.383943 O\n0.231288 0.907016 0.616057 O\n0.768712 0.092984 0.616057 O\n0.592984 0.268712 0.116057 O\n0.407016 0.731288 0.116057 O\n0.907016 0.768712 0.383943 O\n0.268712 0.407016 0.883943 O\n0.731288 0.592984 0.883943 O\n0.000000 0.500000 0.167248 O\n0.500000 0.000000 0.832752 O\n0.500000 0.000000 0.332752 O\n0.000000 0.500000 0.667248 O\n0.247150 0.842096 0.966175 O\n0.157904 0.247150 0.033825 O\n0.406891 0.669192 0.644781 O\n0.752850 0.157904 0.966175 O\n",
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"formula_full": "Na10 Sc2 H8 C8 O28",
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"spacegroup": 114
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{
"id": "mp-542633",
"created_at": "2022-09-04T14:43:03.879811Z",
"structure_string": "Gd2 Co4\n1.0\n0.000000 3.617648 3.617648\n3.617648 0.000000 3.617648\n3.617648 3.617648 0.000000\nGd Co\n2 4\ndirect\n0.250000 0.250000 0.250000 Gd\n0.000000 0.000000 0.000000 Gd\n0.625000 0.625000 0.125000 Co\n0.625000 0.125000 0.625000 Co\n0.125000 0.625000 0.625000 Co\n0.625000 0.625000 0.625000 Co\n",
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"volume": 94.69104683413279,
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"formula_full": "Gd2 Co4",
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"formula_anonymous": "AB2",
"energy": -47.3934532,
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"updated_at": "2021-11-28T01:36:04.523000Z",
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},
{
"id": "mp-1070498",
"created_at": "2022-09-04T14:43:04.164720Z",
"structure_string": "Rb2 Te2 Pt1\n1.0\n-2.035184 4.111037 5.422135\n2.035184 -4.111037 5.422135\n2.035184 4.111037 -5.422135\nRb Te Pt\n2 2 1\ndirect\n0.698935 0.198935 0.500000 Rb\n0.301065 0.801065 0.500000 Rb\n0.210994 0.500000 0.710994 Te\n0.789006 0.500000 0.289006 Te\n0.000000 0.000000 0.000000 Pt\n",
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"density": 5.684717194847318,
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"formula_full": "Rb2 Te2 Pt1",
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"spacegroup": 71
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{
"id": "mp-1976",
"created_at": "2022-09-04T14:43:03.557078Z",
"structure_string": "Ca1 Ga4\n1.0\n-2.193129 2.193129 5.397388\n2.193129 -2.193129 5.397388\n2.193129 2.193129 -5.397388\nCa Ga\n1 4\ndirect\n0.000000 0.000000 0.000000 Ca\n0.250000 0.750000 0.500000 Ga\n0.750000 0.250000 0.500000 Ga\n0.385159 0.385159 0.000000 Ga\n0.614841 0.614841 0.000000 Ga\n",
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{
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"structure_string": "Mn4 Nb4 P4\n1.0\n3.588689 0.000000 0.000000\n0.000000 6.185862 0.000000\n0.000000 0.000000 7.169275\nMn Nb P\n4 4 4\ndirect\n0.750000 0.859701 0.558438 Mn\n0.250000 0.140299 0.441562 Mn\n0.750000 0.359701 0.941562 Mn\n0.250000 0.640299 0.058438 Mn\n0.250000 0.528098 0.674273 Nb\n0.750000 0.471902 0.325727 Nb\n0.250000 0.028098 0.825727 Nb\n0.750000 0.971902 0.174273 Nb\n0.250000 0.272668 0.127326 P\n0.750000 0.727332 0.872674 P\n0.250000 0.772668 0.372674 P\n0.750000 0.227332 0.627326 P\n",
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{
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"structure_string": "Zr2 S2\n1.0\n3.583874 0.000000 0.000000\n0.000000 3.583874 0.000000\n0.000000 0.000000 5.655337\nZr S\n2 2\ndirect\n0.000000 0.500000 0.818057 Zr\n0.500000 0.000000 0.181943 Zr\n0.000000 0.500000 0.308877 S\n0.500000 0.000000 0.691123 S\n",
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},
{
"id": "mp-1196506",
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"structure_string": "Zr10 Si12 H72 C24 Br40 O12\n1.0\n-10.173764 0.000000 1.301801\n-0.076300 0.000000 -14.186231\n0.000000 -23.750825 0.000000\nZr Si H C Br O\n10 12 72 24 40 12\ndirect\n0.500000 0.000000 0.500000 Zr\n0.500000 0.500000 0.000000 Zr\n0.838877 0.099855 0.810321 Zr\n0.161123 0.400145 0.310321 Zr\n0.161123 0.900145 0.189679 Zr\n0.838877 0.599855 0.689679 Zr\n0.091190 0.950414 0.866664 Zr\n0.908810 0.549586 0.366664 Zr\n0.908810 0.049586 0.133336 Zr\n0.091190 0.450414 0.633336 Zr\n0.648130 0.156619 0.418362 Si\n0.351870 0.343381 0.918362 Si\n0.351870 0.843381 0.581638 Si\n0.648130 0.656619 0.081638 Si\n0.486253 0.227817 0.525724 Si\n0.513747 0.272183 0.025724 Si\n0.513747 0.772183 0.474276 Si\n0.486253 0.727817 0.974276 Si\n0.336317 0.065809 0.610924 Si\n0.663683 0.434191 0.110924 Si\n0.663683 0.934191 0.389076 Si\n0.336317 0.565809 0.889076 Si\n0.569639 0.281219 0.360878 H\n0.430361 0.218781 0.860878 H\n0.430361 0.718781 0.639122 H\n0.569639 0.781219 0.139122 H\n0.619118 0.189126 0.318558 H\n0.380882 0.310874 0.818558 H\n0.380882 0.810874 0.681442 H\n0.619118 0.689126 0.181442 H\n0.463552 0.172135 0.353492 H\n0.536448 0.327865 0.853492 H\n0.536448 0.827865 0.646508 H\n0.463552 0.672135 0.146508 H\n0.859877 0.171454 0.468572 H\n0.140123 0.328546 0.968572 H\n0.140123 0.828546 0.531428 H\n0.859877 0.671454 0.031428 H\n0.881893 0.181251 0.394058 H\n0.118107 0.318749 0.894058 H\n0.118107 0.818749 0.605942 H\n0.881893 0.681251 0.105942 H\n0.836384 0.278554 0.432455 H\n0.163616 0.221446 0.932455 H\n0.163616 0.721446 0.567545 H\n0.836384 0.778554 0.067545 H\n0.313392 0.332824 0.518087 H\n0.686608 0.167176 0.018087 H\n0.686608 0.667176 0.481913 H\n0.313392 0.832824 0.981913 H\n0.425776 0.349535 0.461362 H\n0.574224 0.150465 0.961362 H\n0.574224 0.650465 0.538638 H\n0.425776 0.849535 0.038638 H\n0.302470 0.249371 0.461430 H\n0.697530 0.250629 0.961430 H\n0.697530 0.750629 0.538570 H\n0.302470 0.749371 0.038570 H\n0.668141 0.251327 0.594884 H\n0.331859 0.248673 0.094884 H\n0.331859 0.748673 0.405116 H\n0.668141 0.751327 0.905116 H\n0.672165 0.349815 0.547970 H\n0.327835 0.150185 0.047970 H\n0.327835 0.650185 0.452030 H\n0.672165 0.849815 0.952030 H\n0.555547 0.336767 0.603029 H\n0.444453 0.163233 0.103029 H\n0.444453 0.663233 0.396971 H\n0.555547 0.836767 0.896971 H\n0.111314 0.053077 0.570421 H\n0.888686 0.446923 0.070421 H\n0.888686 0.946923 0.429579 H\n0.111314 0.553077 0.929579 H\n0.112086 0.005192 0.639936 H\n0.887914 0.494808 0.139936 H\n0.887914 0.994808 0.360064 H\n0.112086 0.505192 0.860064 H\n0.128345 0.129413 0.630425 H\n0.871655 0.370587 0.130425 H\n0.871655 0.870587 0.369575 H\n0.128345 0.629413 0.869575 H\n0.400378 0.162649 0.693877 H\n0.599622 0.337351 0.193877 H\n0.599622 0.837351 0.306123 H\n0.400378 0.662649 0.806123 H\n0.373979 0.040948 0.711791 H\n0.626021 0.459052 0.211791 H\n0.626021 0.959052 0.288209 H\n0.373979 0.540948 0.788209 H\n0.523670 0.088164 0.678053 H\n0.476330 0.411836 0.178053 H\n0.476330 0.911836 0.321947 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Br\n0.844283 0.271572 0.842355 Br\n0.155717 0.228428 0.342355 Br\n0.155717 0.728428 0.157645 Br\n0.844283 0.771572 0.657645 Br\n0.825837 0.126815 0.705109 Br\n0.174163 0.373185 0.205109 Br\n0.174163 0.873185 0.294891 Br\n0.825837 0.626815 0.794891 Br\n0.911733 0.052523 0.919123 Br\n0.088267 0.447477 0.419123 Br\n0.088267 0.947477 0.080877 Br\n0.911733 0.552523 0.580877 Br\n0.877727 0.910641 0.796424 Br\n0.122273 0.589359 0.296424 Br\n0.122273 0.089359 0.203576 Br\n0.877727 0.410641 0.703576 Br\n0.114640 0.113927 0.800202 Br\n0.885360 0.386073 0.300202 Br\n0.885360 0.886073 0.199798 Br\n0.114640 0.613927 0.699798 Br\n0.017583 0.807633 0.928577 Br\n0.982417 0.692367 0.428577 Br\n0.982417 0.192367 0.071423 Br\n0.017583 0.307633 0.571423 Br\n0.276214 0.028434 0.930015 Br\n0.723786 0.471566 0.430015 Br\n0.723786 0.971566 0.069985 Br\n0.276214 0.528434 0.569985 Br\n0.236315 0.866952 0.800187 Br\n0.763686 0.633048 0.300187 Br\n0.763686 0.133048 0.199813 Br\n0.236315 0.366952 0.699813 Br\n0.622529 0.036223 0.418730 O\n0.377471 0.463777 0.918730 O\n0.377471 0.963777 0.581270 O\n0.622529 0.536223 0.081270 O\n0.559123 0.159505 0.478475 O\n0.440877 0.340495 0.978475 O\n0.440877 0.840495 0.521525 O\n0.559123 0.659505 0.021525 O\n0.412128 0.130060 0.558187 O\n0.587872 0.369940 0.058187 O\n0.587872 0.869940 0.441813 O\n0.412128 0.630060 0.941813 O\n",
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{
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}