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{
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{
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{
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"structure_string": "Bi4 O6\n1.0\n4.173049 -4.076894 0.000000\n4.173049 4.076894 0.000000\n0.190095 0.000000 5.830889\nBi O\n4 6\ndirect\n0.033786 0.521785 0.521785 Bi\n0.521785 0.521785 0.033786 Bi\n0.521785 0.033786 0.521785 Bi\n0.996888 0.996888 0.996888 Bi\n0.656419 0.265552 0.265552 O\n0.265552 0.265552 0.656419 O\n0.265552 0.656419 0.265552 O\n0.157603 0.762315 0.762315 O\n0.762315 0.762315 0.157603 O\n0.762315 0.157603 0.762315 O\n",
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{
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{
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{
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"created_at": "2022-09-04T14:43:19.177494Z",
"structure_string": "Ta8 V4 O24\n1.0\n4.840741 0.000000 0.000000\n0.000000 -4.840741 9.245500\n0.000000 -9.681482 0.000000\nTa V O\n8 4 24\ndirect\n0.500000 0.830539 0.834730 Ta\n0.500000 0.830539 0.334730 Ta\n0.000000 0.330539 0.334730 Ta\n0.000000 0.330539 0.834730 Ta\n0.500000 0.169461 0.165270 Ta\n0.500000 0.169461 0.665270 Ta\n0.000000 0.669461 0.165270 Ta\n0.000000 0.669461 0.665270 Ta\n0.000000 0.000000 0.500000 V\n0.500000 0.500000 0.000000 V\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.500000 V\n0.314598 0.000000 0.342701 O\n0.314598 0.000000 0.842701 O\n0.185402 0.500000 0.842701 O\n0.185402 0.500000 0.342701 O\n0.814598 0.500000 0.157299 O\n0.814598 0.500000 0.657299 O\n0.685402 0.000000 0.157299 O\n0.685402 0.000000 0.657299 O\n0.705766 0.678572 0.807831 O\n0.705766 0.678572 0.307831 O\n0.294234 0.678572 0.013597 O\n0.294234 0.678572 0.513597 O\n0.705766 0.321428 0.986403 O\n0.705766 0.321428 0.486403 O\n0.205766 0.178572 0.013597 O\n0.205766 0.178572 0.513597 O\n0.794234 0.178572 0.307831 O\n0.794234 0.178572 0.807831 O\n0.794234 0.821428 0.986403 O\n0.794234 0.821428 0.486403 O\n0.294234 0.321428 0.192169 O\n0.294234 0.321428 0.692169 O\n0.205766 0.821428 0.692169 O\n0.205766 0.821428 0.192169 O\n",
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{
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{
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{
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"structure_string": "Nd12 Ir4 O28\n1.0\n-6.629320 0.015154 0.000000\n0.000000 0.000000 -7.605373\n1.839835 -12.450489 0.000000\nNd Ir O\n12 4 28\ndirect\n0.244700 0.498407 0.739645 Nd\n0.255300 0.998407 0.760355 Nd\n0.755300 0.501593 0.260355 Nd\n0.744700 0.001593 0.239645 Nd\n0.066901 0.750558 0.488150 Nd\n0.433099 0.250558 0.011850 Nd\n0.933099 0.249442 0.511850 Nd\n0.566901 0.749442 0.988150 Nd\n0.734665 0.756307 0.709669 Nd\n0.765335 0.256307 0.790331 Nd\n0.265335 0.243693 0.290331 Nd\n0.234665 0.743693 0.209669 Nd\n0.500000 0.500000 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n0.000000 0.500000 0.000000 Ir\n0.500000 0.000000 0.500000 Ir\n0.951607 0.748822 0.043370 O\n0.548393 0.248822 0.456630 O\n0.048393 0.251178 0.956630 O\n0.451607 0.751178 0.543370 O\n0.283310 0.543993 0.987845 O\n0.216690 0.043993 0.512155 O\n0.716690 0.456007 0.012155 O\n0.783310 0.956007 0.487845 O\n0.783990 0.535911 0.462706 O\n0.716010 0.035911 0.037294 O\n0.216010 0.464089 0.537294 O\n0.283990 0.964089 0.962706 O\n0.926209 0.537445 0.839697 O\n0.573791 0.037445 0.660303 O\n0.073791 0.462555 0.160303 O\n0.426209 0.962555 0.339697 O\n0.394014 0.537354 0.347594 O\n0.105986 0.037354 0.152406 O\n0.605986 0.462646 0.652406 O\n0.894014 0.962646 0.847594 O\n0.565360 0.740720 0.171457 O\n0.934640 0.240720 0.328543 O\n0.434640 0.259280 0.828543 O\n0.065360 0.759280 0.671457 O\n0.961278 0.761240 0.304967 O\n0.538722 0.261240 0.195033 O\n0.038722 0.238760 0.695033 O\n0.461278 0.738760 0.804967 O\n",
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{
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"structure_string": "Pr1 Fe4 Sb12\n1.0\n-4.597048 4.597048 4.597048\n4.597048 -4.597048 4.597048\n4.597048 4.597048 -4.597048\nPr Fe Sb\n1 4 12\ndirect\n0.000000 0.000000 0.000000 Pr\n0.000000 0.000000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.334609 0.171748 0.837139 Sb\n0.665391 0.828252 0.162861 Sb\n0.665391 0.502530 0.837139 Sb\n0.334609 0.497470 0.162861 Sb\n0.171748 0.837139 0.334609 Sb\n0.828252 0.162861 0.665391 Sb\n0.502530 0.837139 0.665391 Sb\n0.497470 0.162861 0.334609 Sb\n0.837139 0.334609 0.171748 Sb\n0.162861 0.665391 0.828252 Sb\n0.837139 0.665391 0.502530 Sb\n0.162861 0.334609 0.497470 Sb\n",
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},
{
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"created_at": "2022-09-04T14:47:43.900158Z",
"structure_string": "Eu1 Zn1 Sn1 W1 O6\n1.0\n-0.000000 -4.032167 -4.032167\n4.032167 -0.000000 -4.032167\n4.032167 -4.032167 0.000000\nEu Zn Sn W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Eu\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Sn\n0.500000 0.500000 0.500000 W\n0.742029 0.257971 0.257971 O\n0.257971 0.742029 0.742029 O\n0.742029 0.257971 0.742029 O\n0.257971 0.742029 0.257971 O\n0.742029 0.742029 0.257971 O\n0.257971 0.257971 0.742029 O\n",
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"elements": [
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"Zn",
"Sn",
"W",
"O"
],
"chemical_system": "Eu-O-Sn-W-Zn",
"density": 7.80059000996748,
"density_atomic": 0.07627012733696642,
"volume": 131.11293174874803,
"volume_molar": 7.895805304472336,
"formula_full": "Eu1 Zn1 Sn1 W1 O6",
"formula_reduced": "EuZnSnWO6",
"formula_anonymous": "ABCDE6",
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"updated_at": "2021-11-28T01:38:19.049000Z",
"spacegroup": 216
},
{
"id": "mp-1190701",
"created_at": "2022-09-04T14:39:08.177905Z",
"structure_string": "Ce2 Fe17 H3\n1.0\n4.787642 -4.301873 0.000000\n4.787642 4.301873 0.000000\n0.922249 0.000000 6.370014\nCe Fe H\n2 17 3\ndirect\n0.658875 0.658875 0.658875 Ce\n0.341125 0.341125 0.341125 Ce\n0.000000 0.000000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.716622 0.283378 0.000000 Fe\n0.000000 0.716622 0.283378 Fe\n0.283378 0.000000 0.716622 Fe\n0.000000 0.283378 0.716622 Fe\n0.716622 0.000000 0.283378 Fe\n0.283378 0.716622 0.000000 Fe\n0.343422 0.343422 0.846941 Fe\n0.846941 0.343422 0.343422 Fe\n0.343422 0.846941 0.343422 Fe\n0.656578 0.656578 0.153059 Fe\n0.153059 0.656578 0.656578 Fe\n0.656578 0.153059 0.656578 Fe\n0.904139 0.904139 0.904139 Fe\n0.095861 0.095861 0.095861 Fe\n0.500000 0.500000 0.000000 H\n0.000000 0.500000 0.500000 H\n0.500000 0.000000 0.500000 H\n",
"nsites": 22,
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"elements": [
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],
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"density": 7.800617102224292,
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"volume": 262.39142353633673,
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"formula_full": "Ce2 Fe17 H3",
"formula_reduced": "Ce2Fe17H3",
"formula_anonymous": "A2B3C17",
"energy": -167.60574730000002,
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"updated_at": "2021-11-28T01:34:41.262000Z",
"spacegroup": 166
}
]
}