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{
"id": "mp-1191003",
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"structure_string": "Er6 Mn2 B14\n1.0\n1.710730 -7.806542 0.000000\n1.710730 7.806542 0.000000\n0.000000 0.000000 9.256042\nEr Mn B\n6 2 14\ndirect\n0.895759 0.104241 0.440453 Er\n0.104241 0.895759 0.559547 Er\n0.895759 0.104241 0.059547 Er\n0.104241 0.895759 0.940453 Er\n0.241123 0.758877 0.250000 Er\n0.758877 0.241123 0.750000 Er\n0.053066 0.946934 0.250000 Mn\n0.946934 0.053066 0.750000 Mn\n0.727508 0.272492 0.467208 B\n0.272492 0.727508 0.532792 B\n0.727508 0.272492 0.032792 B\n0.272492 0.727508 0.967208 B\n0.630282 0.369718 0.152543 B\n0.369718 0.630282 0.847457 B\n0.630282 0.369718 0.347457 B\n0.369718 0.630282 0.652543 B\n0.520897 0.479103 0.097757 B\n0.479103 0.520897 0.902243 B\n0.520897 0.479103 0.402243 B\n0.479103 0.520897 0.597757 B\n0.458044 0.541956 0.250000 B\n0.541956 0.458044 0.750000 B\n",
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{
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"structure_string": "W24 C4 Cl64\n1.0\n10.101455 0.000000 0.000000\n0.000000 13.177037 0.000000\n0.000000 0.000000 17.158146\nW C Cl\n24 4 64\ndirect\n0.882137 0.150253 0.728065 W\n0.382137 0.650253 0.771935 W\n0.157260 0.349776 0.655010 W\n0.342740 0.150224 0.155010 W\n0.342740 0.349776 0.155010 W\n0.382137 0.849747 0.771935 W\n0.286486 0.750000 0.894914 W\n0.657260 0.650224 0.844990 W\n0.157260 0.150224 0.655010 W\n0.117863 0.849747 0.271935 W\n0.617863 0.150253 0.228065 W\n0.842740 0.849776 0.344990 W\n0.213514 0.750000 0.394914 W\n0.617863 0.349747 0.228065 W\n0.842740 0.650224 0.344990 W\n0.564473 0.750000 0.968940 W\n0.435527 0.250000 0.031060 W\n0.713514 0.250000 0.105086 W\n0.935527 0.750000 0.468940 W\n0.786486 0.250000 0.605086 W\n0.117863 0.650253 0.271935 W\n0.064473 0.250000 0.531060 W\n0.657260 0.849776 0.844990 W\n0.882137 0.349747 0.728065 W\n0.989458 0.250000 0.651507 C\n0.010542 0.750000 0.348493 C\n0.489458 0.750000 0.848493 C\n0.510542 0.250000 0.151507 C\n0.900212 0.864942 0.205750 Cl\n0.880041 0.130802 0.509178 Cl\n0.619959 0.369198 0.009178 Cl\n0.119959 0.869198 0.490822 Cl\n0.741726 0.626634 0.975197 Cl\n0.921155 0.750000 0.609178 Cl\n0.777457 0.250000 0.827559 Cl\n0.099788 0.364942 0.794250 Cl\n0.578845 0.750000 0.109178 Cl\n0.241726 0.126634 0.524803 Cl\n0.676063 0.001103 0.322410 Cl\n0.599788 0.864942 0.705750 Cl\n0.488076 0.515252 0.850466 Cl\n0.662881 0.375166 0.678612 Cl\n0.852246 0.750000 0.822632 Cl\n0.337119 0.875166 0.321388 Cl\n0.162881 0.875166 0.821388 Cl\n0.598861 0.250000 0.519560 Cl\n0.880041 0.369198 0.509178 Cl\n0.337119 0.624834 0.321388 Cl\n0.011924 0.984748 0.350466 Cl\n0.837119 0.124834 0.178612 Cl\n0.258274 0.373366 0.024803 Cl\n0.400212 0.135058 0.294250 Cl\n0.176063 0.998897 0.177590 Cl\n0.619959 0.130802 0.009178 Cl\n0.380041 0.869198 0.990822 Cl\n0.758274 0.873366 0.475197 Cl\n0.241726 0.373366 0.524803 Cl\n0.511924 0.484748 0.149534 Cl\n0.988076 0.484748 0.649534 Cl\n0.741726 0.873366 0.975197 Cl\n0.421155 0.250000 0.890822 Cl\n0.901139 0.250000 0.019560 Cl\n0.258274 0.126634 0.024803 Cl\n0.147754 0.250000 0.177368 Cl\n0.823937 0.001103 0.822410 Cl\n0.162881 0.624834 0.821388 Cl\n0.758274 0.626634 0.475197 Cl\n0.401139 0.750000 0.480440 Cl\n0.511924 0.015252 0.149534 Cl\n0.837119 0.375166 0.178612 Cl\n0.488076 0.984748 0.850466 Cl\n0.222543 0.750000 0.172441 Cl\n0.662881 0.124834 0.678612 Cl\n0.400212 0.364942 0.294250 Cl\n0.599788 0.635058 0.705750 Cl\n0.099788 0.135058 0.794250 Cl\n0.647754 0.750000 0.322632 Cl\n0.078845 0.250000 0.390822 Cl\n0.823937 0.498897 0.822410 Cl\n0.277457 0.750000 0.672441 Cl\n0.352246 0.250000 0.677368 Cl\n0.380041 0.630802 0.990822 Cl\n0.323937 0.998897 0.677590 Cl\n0.176063 0.501103 0.177590 Cl\n0.119959 0.630802 0.490822 Cl\n0.011924 0.515252 0.350466 Cl\n0.098861 0.750000 0.980440 Cl\n0.722543 0.250000 0.327559 Cl\n0.676063 0.498897 0.322410 Cl\n0.900212 0.635058 0.205750 Cl\n0.323937 0.501103 0.677590 Cl\n0.988076 0.015252 0.649534 Cl\n",
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{
"id": "mp-999135",
"created_at": "2022-09-04T14:40:07.826963Z",
"structure_string": "Ta1 Cu1 N2\n1.0\n5.116252 -1.577452 0.000000\n5.116252 1.577452 0.000000\n4.629889 0.000000 2.688590\nTa Cu N\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Cu\n0.761755 0.761755 0.761755 N\n0.238245 0.238245 0.238245 N\n",
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"density": 10.42712431254258,
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"volume": 43.3972944801848,
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"formula_full": "Ta1 Cu1 N2",
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"spacegroup": 166
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{
"id": "mp-1072011",
"created_at": "2022-09-04T14:40:07.833269Z",
"structure_string": "Ho2 Cu2 Pb2\n1.0\n2.293672 -3.972756 0.000000\n2.293672 3.972756 0.000000\n0.000000 0.000000 7.468652\nHo Cu Pb\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Ho\n0.000000 0.000000 0.000000 Ho\n0.333333 0.666667 0.250000 Cu\n0.666667 0.333333 0.750000 Cu\n0.333333 0.666667 0.750000 Pb\n0.666667 0.333333 0.250000 Pb\n",
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"spacegroup": 194
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{
"id": "mp-1194033",
"created_at": "2022-09-04T14:40:07.855832Z",
"structure_string": "Ca8 Si4 S16\n1.0\n0.000000 0.000000 -6.246998\n0.000000 -8.180574 0.000000\n-13.787501 0.000000 0.000000\nCa Si S\n8 4 16\ndirect\n0.500000 0.000000 0.500000 Ca\n0.000000 0.500000 0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.006112 0.750000 0.272566 Ca\n0.493888 0.750000 0.772566 Ca\n0.993888 0.250000 0.727434 Ca\n0.506112 0.250000 0.227434 Ca\n0.590998 0.750000 0.093714 Si\n0.909002 0.750000 0.593714 Si\n0.409002 0.250000 0.906286 Si\n0.090998 0.250000 0.406286 Si\n0.729571 0.958377 0.165438 S\n0.770429 0.541623 0.665438 S\n0.270429 0.458377 0.834562 S\n0.229571 0.041623 0.334562 S\n0.270429 0.041623 0.834562 S\n0.229571 0.458377 0.334562 S\n0.729571 0.541623 0.165438 S\n0.770429 0.958377 0.665438 S\n0.251747 0.750000 0.095258 S\n0.248253 0.750000 0.595258 S\n0.748253 0.250000 0.904742 S\n0.751747 0.250000 0.404742 S\n0.719742 0.750000 0.948634 S\n0.780258 0.750000 0.448634 S\n0.280258 0.250000 0.051366 S\n0.219742 0.250000 0.551366 S\n",
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{
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"structure_string": "Ti6 Ni16 Ge7\n1.0\n0.000000 5.705923 5.705923\n5.705923 0.000000 5.705923\n5.705923 5.705923 0.000000\nTi Ni Ge\n6 16 7\ndirect\n0.197291 0.802709 0.802709 Ti\n0.197291 0.802709 0.197291 Ti\n0.802709 0.197291 0.197291 Ti\n0.802709 0.197291 0.802709 Ti\n0.802709 0.802709 0.197291 Ti\n0.197291 0.197291 0.802709 Ti\n0.382171 0.382171 0.382171 Ni\n0.495304 0.834899 0.834899 Ni\n0.617829 0.617829 0.146513 Ni\n0.165101 0.165101 0.504696 Ni\n0.834899 0.834899 0.495304 Ni\n0.165101 0.165101 0.165101 Ni\n0.834899 0.834899 0.834899 Ni\n0.382171 0.382171 0.853487 Ni\n0.834899 0.495304 0.834899 Ni\n0.617829 0.617829 0.617829 Ni\n0.382171 0.853487 0.382171 Ni\n0.146513 0.617829 0.617829 Ni\n0.617829 0.146513 0.617829 Ni\n0.165101 0.504696 0.165101 Ni\n0.853487 0.382171 0.382171 Ni\n0.504696 0.165101 0.165101 Ni\n0.000000 0.000000 0.500000 Ge\n0.500000 0.000000 0.500000 Ge\n0.500000 0.500000 0.500000 Ge\n0.000000 0.500000 0.000000 Ge\n0.500000 0.500000 0.000000 Ge\n0.500000 0.000000 0.000000 Ge\n0.000000 0.500000 0.500000 Ge\n",
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{
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"structure_string": "K5 Cu1 Sb2\n1.0\n9.619047 -2.998197 0.000000\n9.619047 2.998197 0.000000\n8.684527 0.000000 5.108252\nK Cu Sb\n5 1 2\ndirect\n0.500000 0.500000 0.500000 K\n0.364842 0.364842 0.364842 K\n0.635158 0.635158 0.635158 K\n0.216793 0.216793 0.216793 K\n0.783207 0.783207 0.783207 K\n0.000000 0.000000 0.000000 Cu\n0.088428 0.088428 0.088428 Sb\n0.911572 0.911572 0.911572 Sb\n",
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{
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"structure_string": "Er8 Pb4 Se16\n1.0\n4.112409 0.000000 0.000000\n0.000000 12.567483 0.000000\n0.000000 0.000000 14.943412\nEr Pb Se\n8 4 16\ndirect\n0.250000 0.439134 0.610393 Er\n0.750000 0.081511 0.596568 Er\n0.250000 0.918489 0.403432 Er\n0.250000 0.939134 0.889607 Er\n0.750000 0.581511 0.903432 Er\n0.250000 0.418489 0.096568 Er\n0.750000 0.560866 0.389607 Er\n0.750000 0.060866 0.110393 Er\n0.750000 0.236176 0.329721 Pb\n0.250000 0.763824 0.670279 Pb\n0.750000 0.736176 0.170279 Pb\n0.250000 0.263824 0.829721 Pb\n0.250000 0.130408 0.469886 Se\n0.250000 0.023535 0.714071 Se\n0.750000 0.589537 0.576879 Se\n0.750000 0.369592 0.969886 Se\n0.750000 0.869592 0.530114 Se\n0.250000 0.207174 0.169762 Se\n0.750000 0.976465 0.285929 Se\n0.250000 0.410463 0.423121 Se\n0.750000 0.089537 0.923121 Se\n0.750000 0.476465 0.214071 Se\n0.250000 0.523535 0.785929 Se\n0.750000 0.292826 0.669762 Se\n0.250000 0.910463 0.076879 Se\n0.250000 0.630408 0.030114 Se\n0.750000 0.792826 0.830238 Se\n0.250000 0.707174 0.330238 Se\n",
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{
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"structure_string": "Mg1 Sn1 B2 O6\n1.0\n5.239886 -2.384429 0.000000\n5.239886 2.384429 0.000000\n4.154844 0.000000 3.984869\nMg Sn B O\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Sn\n0.752396 0.752396 0.752396 B\n0.247604 0.247604 0.247604 B\n0.461652 0.749932 0.043215 O\n0.749932 0.043215 0.461652 O\n0.956785 0.538348 0.250068 O\n0.538348 0.250068 0.956785 O\n0.250068 0.956785 0.538348 O\n0.043215 0.461652 0.749932 O\n",
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{
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{
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}