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{
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{
"id": "mp-1103076",
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"structure_string": "Sc3 Si4 Ni4\n1.0\n0.000000 0.000000 -3.858287\n0.000000 -6.479686 0.000000\n-6.345432 3.239844 1.929144\nSc Si Ni\n3 4 4\ndirect\n0.000000 0.500000 0.000000 Sc\n0.873346 0.873346 0.746693 Sc\n0.126654 0.126654 0.253307 Sc\n0.780346 0.280346 0.560692 Si\n0.219654 0.719654 0.439308 Si\n0.500000 0.812176 0.000000 Si\n0.500000 0.187824 0.000000 Si\n0.675033 0.478722 0.350065 Ni\n0.675033 0.871343 0.350065 Ni\n0.324967 0.128657 0.649935 Ni\n0.324967 0.521278 0.649935 Ni\n",
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{
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"structure_string": "La5 Al15 Cu4 Au1\n1.0\n4.330941 0.000000 0.000000\n0.000000 4.330941 0.000000\n2.165470 2.165470 26.854953\nLa Al Cu Au\n5 15 4 1\ndirect\n0.000516 0.000516 0.998968 La\n0.400697 0.400697 0.198605 La\n0.800740 0.800740 0.398520 La\n0.200876 0.200876 0.598249 La\n0.601798 0.601798 0.796404 La\n0.451017 0.951017 0.097966 Al\n0.851088 0.351088 0.297824 Al\n0.251082 0.751082 0.497836 Al\n0.651562 0.151562 0.696877 Al\n0.049452 0.549452 0.901096 Al\n0.951017 0.451017 0.097966 Al\n0.351088 0.851088 0.297824 Al\n0.751082 0.251082 0.497836 Al\n0.151562 0.651562 0.696877 Al\n0.549452 0.049452 0.901096 Al\n0.919926 0.919926 0.160148 Al\n0.319997 0.319997 0.360006 Al\n0.720004 0.720004 0.559992 Al\n0.121577 0.121577 0.756845 Al\n0.519232 0.519232 0.961535 Al\n0.474102 0.474102 0.051797 Cu\n0.874327 0.874327 0.251347 Cu\n0.274350 0.274350 0.451300 Cu\n0.674476 0.674476 0.651047 Cu\n0.074979 0.074979 0.850042 Au\n",
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"updated_at": "2021-11-28T01:34:54.686000Z",
"spacegroup": 107
},
{
"id": "mp-1233936",
"created_at": "2022-09-04T14:40:24.500892Z",
"structure_string": "Mg1 Ti1 H6 O2 F6\n1.0\n0.000000 0.000000 -6.189035\n-2.914913 -5.048779 0.000000\n-2.914913 5.048778 0.000000\nMg Ti H O F\n1 1 6 2 6\ndirect\n0.338917 0.666667 0.333333 Mg\n0.990594 0.000000 0.000000 Ti\n0.725927 0.841448 0.316330 H\n0.725927 0.474883 0.158552 H\n0.264729 0.509931 0.682917 H\n0.725927 0.683670 0.525117 H\n0.264729 0.317083 0.827013 H\n0.264729 0.172987 0.490069 H\n0.659954 0.666667 0.333333 O\n0.311033 0.333333 0.666667 O\n0.787948 0.701571 0.733500 F\n0.787948 0.031929 0.298429 F\n0.228868 0.916716 0.242363 F\n0.787948 0.266500 0.968071 F\n0.228868 0.757637 0.674353 F\n0.228868 0.325647 0.083284 F\n",
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"density_atomic": 0.08783247756333151,
"volume": 182.1649627094171,
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"formula_full": "Mg1 Ti1 H6 O2 F6",
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{
"id": "mp-793763",
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"structure_string": "Nb1 Cr2 Fe3 P6 O24\n1.0\n7.608882 -4.362521 0.000000\n7.608882 4.362521 0.000000\n5.107648 0.000000 7.130119\nNb Cr Fe P O\n1 2 3 6 24\ndirect\n0.855320 0.855320 0.855320 Nb\n0.008698 0.008698 0.008698 Cr\n0.500710 0.500710 0.500710 Cr\n0.148986 0.148986 0.148986 Fe\n0.354738 0.354738 0.354738 Fe\n0.644264 0.644264 0.644264 Fe\n0.450558 0.747861 0.043836 P\n0.540041 0.254054 0.956401 P\n0.956401 0.540041 0.254054 P\n0.254054 0.956401 0.540041 P\n0.747861 0.043836 0.450558 P\n0.043836 0.450558 0.747861 P\n0.310430 0.113093 0.505040 O\n0.505040 0.310430 0.113093 O\n0.913511 0.059728 0.261593 O\n0.113093 0.505040 0.310430 O\n0.815986 0.990185 0.613860 O\n0.589374 0.236499 0.445133 O\n0.059728 0.261593 0.913511 O\n0.236499 0.445133 0.589374 O\n0.390558 0.183567 0.998751 O\n0.445133 0.589374 0.236499 O\n0.738421 0.088635 0.934236 O\n0.998751 0.390558 0.183567 O\n0.990185 0.613860 0.815986 O\n0.261593 0.913511 0.059728 O\n0.560487 0.412160 0.761727 O\n0.613860 0.815986 0.990185 O\n0.761727 0.560487 0.412160 O\n0.934236 0.738421 0.088635 O\n0.412160 0.761727 0.560487 O\n0.183567 0.998751 0.390558 O\n0.887507 0.499351 0.684701 O\n0.088635 0.934236 0.738421 O\n0.499351 0.684701 0.887507 O\n0.684701 0.887507 0.499351 O\n",
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"formula_full": "Nb1 Cr2 Fe3 P6 O24",
"formula_reduced": "NbCr2Fe3(PO4)6",
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},
{
"id": "mp-989400",
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"structure_string": "Rb2 Na1 Ga1 F6\n1.0\n0.000000 4.284531 4.284531\n4.284531 0.000000 4.284531\n4.284531 4.284531 0.000000\nRb Na Ga F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Ga\n0.773772 0.226228 0.226228 F\n0.226228 0.226228 0.773772 F\n0.226228 0.773772 0.773772 F\n0.226228 0.773772 0.226228 F\n0.773772 0.226228 0.773772 F\n0.773772 0.773772 0.226228 F\n",
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],
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"density_atomic": 0.0635711599733431,
"volume": 157.30403541784102,
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"formula_full": "Rb2 Na1 Ga1 F6",
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{
"id": "mp-1019575",
"created_at": "2022-09-04T14:40:24.495438Z",
"structure_string": "Ca16 Al24 S4 O64\n1.0\n9.254656 0.000000 0.000000\n0.000000 13.097275 0.000000\n0.000000 0.000000 13.266630\nCa Al S O\n16 24 4 64\ndirect\n0.651954 0.943181 0.249229 Ca\n0.651954 0.056819 0.750771 Ca\n0.151954 0.943181 0.750771 Ca\n0.151954 0.056819 0.249229 Ca\n0.792498 0.746619 0.935579 Ca\n0.792498 0.253381 0.064421 Ca\n0.292498 0.746619 0.064421 Ca\n0.292498 0.253381 0.935579 Ca\n0.739770 0.741704 0.524320 Ca\n0.739770 0.258296 0.475680 Ca\n0.239770 0.741704 0.475680 Ca\n0.239770 0.258296 0.524320 Ca\n0.718989 0.509120 0.254040 Ca\n0.718989 0.490880 0.745960 Ca\n0.218989 0.509120 0.745960 Ca\n0.218989 0.490880 0.254040 Ca\n0.728949 0.500000 0.500000 Al\n0.228949 0.500000 0.500000 Al\n0.745111 0.500000 0.000000 Al\n0.245111 0.500000 0.000000 Al\n0.724292 0.000000 0.000000 Al\n0.224292 0.000000 0.000000 Al\n0.699317 0.000000 0.500000 Al\n0.199317 0.000000 0.500000 Al\n0.491545 0.373163 0.120957 Al\n0.491545 0.626837 0.879043 Al\n0.991545 0.373163 0.879043 Al\n0.991545 0.626837 0.120957 Al\n0.452213 0.880281 0.630144 Al\n0.452213 0.119719 0.369856 Al\n0.952213 0.880281 0.369856 Al\n0.952213 0.119719 0.630144 Al\n0.477223 0.629614 0.631254 Al\n0.477223 0.370386 0.368746 Al\n0.977223 0.629614 0.368746 Al\n0.977223 0.370386 0.631254 Al\n0.472232 0.877616 0.878289 Al\n0.472232 0.122384 0.121711 Al\n0.972232 0.877616 0.121711 Al\n0.972232 0.122384 0.878289 Al\n0.470087 0.723114 0.265614 S\n0.470087 0.276886 0.734386 S\n0.970087 0.723114 0.734386 S\n0.970087 0.276886 0.265614 S\n0.110424 0.330250 0.265144 O\n0.110424 0.669750 0.734856 O\n0.610424 0.330250 0.734856 O\n0.610424 0.669750 0.265144 O\n0.978197 0.185213 0.196772 O\n0.978197 0.814787 0.803228 O\n0.478197 0.185213 0.803228 O\n0.478197 0.814787 0.196772 O\n0.936975 0.241950 0.369730 O\n0.936975 0.758050 0.630270 O\n0.436975 0.241950 0.630270 O\n0.436975 0.758050 0.369730 O\n0.851654 0.343057 0.225362 O\n0.851654 0.656943 0.774638 O\n0.351654 0.343057 0.774638 O\n0.351654 0.656943 0.225362 O\n0.943528 0.590233 0.244736 O\n0.943528 0.409767 0.755264 O\n0.443528 0.590233 0.755264 O\n0.443528 0.409767 0.244736 O\n0.638630 0.431511 0.405523 O\n0.638630 0.568489 0.594477 O\n0.138630 0.431511 0.594477 O\n0.138630 0.568489 0.405523 O\n0.644570 0.450556 0.100604 O\n0.644570 0.549444 0.899396 O\n0.144570 0.450556 0.899396 O\n0.144570 0.549444 0.100604 O\n0.017277 0.242918 0.604589 O\n0.017277 0.757082 0.395411 O\n0.517277 0.242918 0.395411 O\n0.517277 0.757082 0.604589 O\n0.321809 0.402931 0.436724 O\n0.321809 0.597069 0.563276 O\n0.821809 0.402931 0.563276 O\n0.821809 0.597069 0.436724 O\n0.295847 0.104633 0.446666 O\n0.295847 0.895367 0.553334 O\n0.795847 0.104633 0.553334 O\n0.795847 0.895367 0.446666 O\n0.048894 0.245312 0.896391 O\n0.048894 0.754688 0.103609 O\n0.548894 0.245312 0.103609 O\n0.548894 0.754688 0.896391 O\n0.327970 0.109013 0.034618 O\n0.327970 0.890987 0.965382 O\n0.827970 0.109013 0.965382 O\n0.827970 0.890987 0.034618 O\n0.344959 0.391875 0.039335 O\n0.344959 0.608125 0.960665 O\n0.844959 0.391875 0.960665 O\n0.844959 0.608125 0.039335 O\n0.897181 0.903560 0.243477 O\n0.897181 0.096440 0.756523 O\n0.397181 0.903560 0.756523 O\n0.397181 0.096440 0.243477 O\n0.620161 0.036596 0.107190 O\n0.620161 0.963404 0.892810 O\n0.120161 0.036596 0.892810 O\n0.120161 0.963404 0.107190 O\n0.598631 0.037571 0.392897 O\n0.598631 0.962429 0.607103 O\n0.098631 0.037571 0.607103 O\n0.098631 0.962429 0.392897 O\n",
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{
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{
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"structure_string": "Li8 Ge2 O8\n1.0\n3.716275 -3.939777 0.000000\n3.716275 3.939777 0.000000\n0.000000 0.000000 6.138365\nLi Ge O\n8 2 8\ndirect\n0.421159 0.125382 0.750000 Li\n0.578841 0.874618 0.250000 Li\n0.838143 0.161857 0.000000 Li\n0.161857 0.838143 0.500000 Li\n0.161857 0.838143 0.000000 Li\n0.838143 0.161857 0.500000 Li\n0.874618 0.578841 0.250000 Li\n0.125382 0.421159 0.750000 Li\n0.661299 0.661299 0.750000 Ge\n0.338701 0.338701 0.250000 Ge\n0.655775 0.266826 0.250000 O\n0.344225 0.733174 0.750000 O\n0.203708 0.203708 0.007548 O\n0.796292 0.796292 0.507548 O\n0.203708 0.203708 0.492452 O\n0.796292 0.796292 0.992452 O\n0.266826 0.655775 0.250000 O\n0.733174 0.344225 0.750000 O\n",
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{
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{
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{
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{
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}