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{
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{
"id": "mp-1103256",
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"structure_string": "Fe4 Sb4 Se4\n1.0\n0.000000 -6.131328 0.000000\n-5.743566 0.000000 2.475108\n0.043949 0.000000 -6.261058\nFe Sb Se\n4 4 4\ndirect\n0.508491 0.708397 0.201569 Fe\n0.008491 0.291603 0.298431 Fe\n0.491509 0.291603 0.798431 Fe\n0.991509 0.708397 0.701569 Fe\n0.138318 0.857215 0.125486 Sb\n0.638318 0.142785 0.374514 Sb\n0.861682 0.142785 0.874514 Sb\n0.361682 0.857215 0.625486 Sb\n0.859285 0.646440 0.328910 Se\n0.359285 0.353560 0.171090 Se\n0.140715 0.353560 0.671090 Se\n0.640715 0.646440 0.828910 Se\n",
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{
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"structure_string": "Eu2 C1 N2 Cl2\n1.0\n2.113490 4.838226 0.000000\n-2.113490 4.838226 0.000000\n0.000000 1.037560 7.167812\nEu C N Cl\n2 1 2 2\ndirect\n0.681911 0.681911 0.728827 Eu\n0.318089 0.318089 0.271173 Eu\n0.000000 0.000000 0.500000 C\n0.883596 0.883596 0.447483 N\n0.116404 0.116404 0.552517 N\n0.370352 0.370352 0.850503 Cl\n0.629648 0.629648 0.149497 Cl\n",
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},
{
"id": "mp-1189081",
"created_at": "2022-09-04T14:41:22.718566Z",
"structure_string": "Ho12 Ni4 Sn2\n1.0\n-4.664477 4.793565 5.018189\n4.664477 -4.793565 5.018189\n4.664477 4.793565 -5.018189\nHo Ni Sn\n12 4 2\ndirect\n0.440273 0.234217 0.206055 Ho\n0.559727 0.765783 0.793945 Ho\n0.028162 0.234217 0.793945 Ho\n0.971838 0.765783 0.206055 Ho\n0.183926 0.288007 0.471933 Ho\n0.816074 0.711993 0.528067 Ho\n0.183926 0.711993 0.895920 Ho\n0.816074 0.288007 0.104080 Ho\n0.321842 0.629568 0.307726 Ho\n0.678158 0.370432 0.692274 Ho\n0.321842 0.014116 0.692274 Ho\n0.678158 0.985884 0.307726 Ho\n0.357563 0.000000 0.357563 Ni\n0.642437 0.000000 0.642437 Ni\n0.120363 0.620363 0.500000 Ni\n0.879637 0.379637 0.500000 Ni\n0.500000 0.500000 0.000000 Sn\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 18,
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"elements": [
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"density": 9.069579605341476,
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"volume": 448.8162596779264,
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"formula_full": "Ho12 Ni4 Sn2",
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"spacegroup": 71
},
{
"id": "mp-560174",
"created_at": "2022-09-04T14:41:25.710290Z",
"structure_string": "Na8 Zn8 P24 O72\n1.0\n-7.370427 7.370427 7.370427\n7.370427 -7.370427 7.370427\n7.370427 7.370427 -7.370427\nNa Zn P O\n8 8 24 72\ndirect\n0.780164 0.500000 0.000000 Na\n0.000000 0.280164 0.500000 Na\n0.280164 0.500000 0.000000 Na\n0.000000 0.780164 0.500000 Na\n0.719836 0.719836 0.719836 Na\n0.500000 0.000000 0.280164 Na\n0.500000 0.000000 0.780164 Na\n0.219836 0.219836 0.219836 Na\n0.030098 0.500000 0.000000 Zn\n0.000000 0.530098 0.500000 Zn\n0.469902 0.469902 0.469902 Zn\n0.500000 0.000000 0.530098 Zn\n0.969902 0.969902 0.969902 Zn\n0.500000 0.000000 0.030098 Zn\n0.530098 0.500000 0.000000 Zn\n0.000000 0.030098 0.500000 Zn\n0.505539 0.442197 0.719647 P\n0.563342 0.277450 0.057803 P\n0.936658 0.994461 0.714108 P\n0.719647 0.505539 0.442197 P\n0.219647 0.942197 0.005539 P\n0.057803 0.563342 0.277450 P\n0.280353 0.285892 0.722550 P\n0.494461 0.436658 0.214108 P\n0.285892 0.722550 0.280353 P\n0.222550 0.785892 0.780353 P\n0.277450 0.057803 0.563342 P\n0.063342 0.557803 0.777450 P\n0.785892 0.780353 0.222550 P\n0.005539 0.219647 0.942197 P\n0.942197 0.005539 0.219647 P\n0.777450 0.063342 0.557803 P\n0.722550 0.280353 0.285892 P\n0.442197 0.719647 0.505539 P\n0.714108 0.936658 0.994461 P\n0.436658 0.214108 0.494461 P\n0.557803 0.777450 0.063342 P\n0.994461 0.714108 0.936658 P\n0.780353 0.222550 0.785892 P\n0.214108 0.494461 0.436658 P\n0.135457 0.969321 0.497945 O\n0.321697 0.645275 0.520574 O\n0.833864 0.364543 0.862488 O\n0.226786 0.633548 0.139617 O\n0.124700 0.479426 0.301123 O\n0.993931 0.087170 0.360383 O\n0.006069 0.593239 0.366452 O\n0.176422 0.875300 0.854725 O\n0.366452 0.006069 0.593239 O\n0.020574 0.145275 0.821697 O\n0.502055 0.137512 0.471376 O\n0.412830 0.406761 0.273214 O\n0.506069 0.866452 0.093239 O\n0.971376 0.637512 0.002055 O\n0.912830 0.773214 0.906761 O\n0.639617 0.133548 0.726786 O\n0.137512 0.471376 0.502055 O\n0.676422 0.354725 0.375300 O\n0.471376 0.502055 0.137512 O\n0.364543 0.862488 0.833864 O\n0.637512 0.002055 0.971376 O\n0.862488 0.833864 0.364543 O\n0.821697 0.020574 0.145275 O\n0.854725 0.176422 0.875300 O\n0.362488 0.864543 0.333864 O\n0.864543 0.333864 0.362488 O\n0.520574 0.321697 0.645275 O\n0.906761 0.912830 0.773214 O\n0.028624 0.166136 0.030679 O\n0.866452 0.093239 0.506069 O\n0.633548 0.139617 0.226786 O\n0.002055 0.971376 0.637512 O\n0.645275 0.520574 0.321697 O\n0.528624 0.530679 0.666136 O\n0.469321 0.635457 0.997945 O\n0.198877 0.678303 0.823578 O\n0.497945 0.135457 0.969321 O\n0.823578 0.198877 0.678303 O\n0.773214 0.906761 0.912830 O\n0.698877 0.323578 0.178303 O\n0.360383 0.993931 0.087170 O\n0.375300 0.676422 0.354725 O\n0.479426 0.301123 0.124700 O\n0.635457 0.997945 0.469321 O\n0.624700 0.801123 0.979426 O\n0.593239 0.366452 0.006069 O\n0.860383 0.587170 0.493931 O\n0.666136 0.528624 0.530679 O\n0.979426 0.624700 0.801123 O\n0.087170 0.360383 0.993931 O\n0.093239 0.506069 0.866452 O\n0.726786 0.639617 0.133548 O\n0.301123 0.124700 0.479426 O\n0.801123 0.979426 0.624700 O\n0.323578 0.178303 0.698877 O\n0.530679 0.666136 0.528624 O\n0.333864 0.362488 0.864543 O\n0.875300 0.854725 0.176422 O\n0.166136 0.030679 0.028624 O\n0.139617 0.226786 0.633548 O\n0.406761 0.273214 0.412830 O\n0.178303 0.698877 0.323578 O\n0.678303 0.823578 0.198877 O\n0.587170 0.493931 0.860383 O\n0.997945 0.469321 0.635457 O\n0.273214 0.412830 0.406761 O\n0.354725 0.375300 0.676422 O\n0.030679 0.028624 0.166136 O\n0.145275 0.821697 0.020574 O\n0.133548 0.726786 0.639617 O\n0.493931 0.860383 0.587170 O\n0.969321 0.497945 0.135457 O\n",
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"formula_full": "Na8 Zn8 P24 O72",
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"spacegroup": 220
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{
"id": "mp-504676",
"created_at": "2022-09-04T14:41:26.653174Z",
"structure_string": "Al2 Tl4 F10\n1.0\n4.290830 -4.801765 0.000000\n4.290830 4.801765 0.000000\n0.000000 0.000000 7.517869\nAl Tl F\n2 4 10\ndirect\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.523130 0.934785 0.250000 Tl\n0.476870 0.065215 0.750000 Tl\n0.934785 0.523130 0.750000 Tl\n0.065215 0.476870 0.250000 Tl\n0.211591 0.211591 0.500000 F\n0.788409 0.788409 0.000000 F\n0.788409 0.788409 0.500000 F\n0.211591 0.211591 0.000000 F\n0.030676 0.969324 0.250000 F\n0.969324 0.030676 0.750000 F\n0.186866 0.813134 0.537911 F\n0.813134 0.186866 0.037911 F\n0.813134 0.186866 0.462089 F\n0.186866 0.813134 0.962089 F\n",
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"formula_full": "Al2 Tl4 F10",
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{
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"created_at": "2022-09-04T14:41:22.791626Z",
"structure_string": "Ba7 Ir6 O19\n1.0\n2.914109 7.516618 0.000000\n-2.914109 7.516618 0.000000\n0.000000 1.751391 11.058405\nBa Ir O\n7 6 19\ndirect\n0.500000 0.500000 0.500000 Ba\n0.855574 0.855574 0.945252 Ba\n0.144426 0.144426 0.054748 Ba\n0.573877 0.573877 0.837503 Ba\n0.426123 0.426123 0.162497 Ba\n0.804776 0.804776 0.589777 Ba\n0.195224 0.195224 0.410223 Ba\n0.183230 0.183230 0.734491 Ir\n0.816770 0.816770 0.265509 Ir\n0.345352 0.345352 0.781528 Ir\n0.654648 0.654648 0.218472 Ir\n0.023389 0.023389 0.677345 Ir\n0.976611 0.976611 0.322655 Ir\n0.000000 0.000000 0.500000 O\n0.702109 0.702109 0.386542 O\n0.297891 0.297891 0.613458 O\n0.057755 0.057755 0.849527 O\n0.942245 0.942245 0.150473 O\n0.397562 0.397562 0.935642 O\n0.602438 0.602438 0.064358 O\n0.822165 0.320126 0.293852 O\n0.679874 0.177835 0.706148 O\n0.177835 0.679874 0.706148 O\n0.320126 0.822165 0.293852 O\n0.527007 0.985269 0.163091 O\n0.014731 0.472993 0.836909 O\n0.642076 0.107425 0.367351 O\n0.892575 0.357924 0.632649 O\n0.357924 0.892575 0.632649 O\n0.107425 0.642076 0.367351 O\n0.985269 0.527007 0.163091 O\n0.472993 0.014731 0.836909 O\n",
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"formula_full": "Ba7 Ir6 O19",
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{
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"structure_string": "Cs4 Mg2 Mo4 O24\n1.0\n5.387184 0.000000 -3.094101\n-6.691864 0.000000 -6.304649\n0.000000 12.409389 0.000000\nCs Mg Mo O\n4 2 4 24\ndirect\n0.676002 0.445840 0.314991 Cs\n0.823998 0.054160 0.814991 Cs\n0.323998 0.554160 0.685009 Cs\n0.176002 0.945840 0.185009 Cs\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.104583 0.233487 0.462184 Mo\n0.395417 0.266513 0.962183 Mo\n0.895417 0.766513 0.537817 Mo\n0.604583 0.733487 0.037817 Mo\n0.233664 0.426226 0.438698 O\n0.266336 0.073774 0.938698 O\n0.766336 0.573774 0.561302 O\n0.733664 0.926226 0.061302 O\n0.314944 0.135707 0.438474 O\n0.185056 0.364293 0.938474 O\n0.685056 0.864293 0.561526 O\n0.814944 0.635707 0.061526 O\n0.942935 0.792847 0.392125 O\n0.557065 0.707153 0.892125 O\n0.057065 0.207153 0.607875 O\n0.442935 0.292847 0.107875 O\n0.898507 0.153281 0.344578 O\n0.601493 0.346719 0.844578 O\n0.101493 0.846719 0.655422 O\n0.398507 0.653281 0.155422 O\n0.235634 0.789928 0.502465 O\n0.264366 0.710072 0.002465 O\n0.764366 0.210072 0.497535 O\n0.735634 0.289928 0.997535 O\n0.593861 0.983361 0.336920 O\n0.906139 0.516639 0.836920 O\n0.406139 0.016639 0.663080 O\n0.093861 0.483361 0.163080 O\n",
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{
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"structure_string": "Yb1 Ga8 Cu4\n1.0\n-4.448606 4.448606 2.604871\n4.448606 -4.448606 2.604871\n4.448606 4.448606 -2.604871\nYb Ga Cu\n1 8 4\ndirect\n0.000000 0.000000 0.000000 Yb\n0.000000 0.345829 0.345829 Ga\n0.000000 0.654171 0.654171 Ga\n0.654171 0.000000 0.654171 Ga\n0.345829 0.000000 0.345829 Ga\n0.500000 0.283985 0.783985 Ga\n0.500000 0.716015 0.216015 Ga\n0.716015 0.500000 0.216015 Ga\n0.283985 0.500000 0.783985 Ga\n0.000000 0.000000 0.500000 Cu\n0.500000 0.500000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.000000 0.500000 0.000000 Cu\n",
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"formula_full": "Yb1 Ga8 Cu4",
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{
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{
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{
"id": "mp-1197207",
"created_at": "2022-09-04T14:41:21.942412Z",
"structure_string": "Mn32 Si32 Mo12\n1.0\n4.839475 0.000000 0.000000\n0.000000 12.765966 0.000000\n0.000000 0.000000 15.233969\nMn Si Mo\n32 32 12\ndirect\n0.987971 0.865162 0.825933 Mn\n0.512029 0.365162 0.674067 Mn\n0.487971 0.134838 0.174067 Mn\n0.012029 0.634838 0.325933 Mn\n0.012029 0.134838 0.174067 Mn\n0.487971 0.634838 0.325933 Mn\n0.512029 0.865162 0.825933 Mn\n0.987971 0.365162 0.674067 Mn\n0.004054 0.560054 0.878435 Mn\n0.495946 0.060054 0.621565 Mn\n0.504054 0.439946 0.121565 Mn\n0.995946 0.939946 0.378435 Mn\n0.995946 0.439946 0.121565 Mn\n0.504054 0.939946 0.378435 Mn\n0.495946 0.560054 0.878435 Mn\n0.004054 0.060054 0.621565 Mn\n0.250000 0.636002 0.156035 Mn\n0.250000 0.136002 0.343965 Mn\n0.750000 0.363998 0.843965 Mn\n0.750000 0.863998 0.656035 Mn\n0.250000 0.952835 0.093447 Mn\n0.250000 0.452835 0.406553 Mn\n0.750000 0.047165 0.906553 Mn\n0.750000 0.547165 0.593447 Mn\n0.250000 0.622365 0.495764 Mn\n0.250000 0.122365 0.004236 Mn\n0.750000 0.377635 0.504236 Mn\n0.750000 0.877635 0.995764 Mn\n0.250000 0.812123 0.248599 Mn\n0.250000 0.312123 0.251401 Mn\n0.750000 0.187877 0.751401 Mn\n0.750000 0.687877 0.748599 Mn\n0.001808 0.713749 0.618636 Si\n0.498192 0.213749 0.881364 Si\n0.501808 0.286251 0.381364 Si\n0.998192 0.786251 0.118636 Si\n0.998192 0.286251 0.381364 Si\n0.501808 0.786251 0.118636 Si\n0.498192 0.713749 0.618636 Si\n0.001808 0.213749 0.881364 Si\n0.250000 0.709514 0.805182 Si\n0.250000 0.209514 0.694818 Si\n0.750000 0.290486 0.194818 Si\n0.750000 0.790486 0.305182 Si\n0.250000 0.911171 0.698719 Si\n0.250000 0.411171 0.801281 Si\n0.750000 0.088829 0.301281 Si\n0.750000 0.588829 0.198719 Si\n0.250000 0.551890 0.017890 Si\n0.250000 0.051890 0.482110 Si\n0.750000 0.448110 0.982110 Si\n0.750000 0.948110 0.517890 Si\n0.250000 0.948891 0.939652 Si\n0.250000 0.448891 0.560348 Si\n0.750000 0.051109 0.060348 Si\n0.750000 0.551109 0.439652 Si\n0.250000 0.774375 0.397296 Si\n0.250000 0.274375 0.102704 Si\n0.750000 0.225625 0.602704 Si\n0.750000 0.725625 0.897296 Si\n0.250000 0.995225 0.247217 Si\n0.250000 0.495225 0.252783 Si\n0.750000 0.004775 0.752783 Si\n0.750000 0.504775 0.747217 Si\n0.250000 0.566378 0.695975 Mo\n0.250000 0.066378 0.804025 Mo\n0.750000 0.433622 0.304025 Mo\n0.750000 0.933622 0.195975 Mo\n0.250000 0.865218 0.542296 Mo\n0.250000 0.365218 0.957704 Mo\n0.750000 0.134782 0.457704 Mo\n0.750000 0.634782 0.042296 Mo\n0.250000 0.747697 0.971939 Mo\n0.250000 0.247697 0.528061 Mo\n0.750000 0.252303 0.028061 Mo\n0.750000 0.752303 0.471939 Mo\n",
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{
"id": "mp-1019791",
"created_at": "2022-09-04T14:41:32.232570Z",
"structure_string": "K4 Zn2 P8 O24\n1.0\n6.352538 5.612205 0.000000\n-6.352538 5.612205 0.000000\n0.000000 1.641959 7.647044\nK Zn P O\n4 2 8 24\ndirect\n0.507088 0.757982 0.416241 K\n0.757982 0.507088 0.916241 K\n0.468159 0.199931 0.591598 K\n0.199931 0.468159 0.091598 K\n0.150900 0.841742 0.757793 Zn\n0.841742 0.150900 0.257793 Zn\n0.815848 0.965312 0.668024 P\n0.965312 0.815848 0.168024 P\n0.503595 0.827090 0.927425 P\n0.827090 0.503595 0.427425 P\n0.505397 0.132755 0.084089 P\n0.132755 0.505397 0.584089 P\n0.188440 0.036230 0.320406 P\n0.036230 0.188440 0.820406 P\n0.489377 0.659448 0.023025 O\n0.659448 0.489377 0.523025 O\n0.395872 0.869923 0.795419 O\n0.869923 0.395872 0.295419 O\n0.688860 0.877557 0.836515 O\n0.877557 0.688860 0.336515 O\n0.492112 0.940984 0.078838 O\n0.940984 0.492112 0.578838 O\n0.609436 0.167189 0.220573 O\n0.167189 0.609436 0.720573 O\n0.542394 0.233457 0.907948 O\n0.233457 0.542394 0.407948 O\n0.321663 0.146583 0.166690 O\n0.146583 0.321663 0.666690 O\n0.269336 0.974703 0.470442 O\n0.974703 0.269336 0.970442 O\n0.058339 0.139937 0.345970 O\n0.139937 0.058339 0.845970 O\n0.131028 0.883948 0.229349 O\n0.883948 0.131028 0.729349 O\n0.727801 0.011407 0.518163 O\n0.011407 0.727801 0.018163 O\n0.941950 0.856227 0.649492 O\n0.856227 0.941950 0.149492 O\n",
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]
}