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{
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{
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{
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"structure_string": "Zr20 Si16\n1.0\n7.159662 0.000000 0.000000\n0.000000 7.159662 0.000000\n0.000000 0.000000 13.065647\nZr Si\n20 16\ndirect\n0.354440 0.501246 0.376806 Zr\n0.854440 0.998754 0.373194 Zr\n0.001246 0.145560 0.126806 Zr\n0.998754 0.854440 0.626806 Zr\n0.645560 0.498754 0.876806 Zr\n0.501246 0.354440 0.623194 Zr\n0.498754 0.645560 0.123194 Zr\n0.145560 0.001246 0.873194 Zr\n0.998120 0.649211 0.035671 Zr\n0.001880 0.350789 0.535671 Zr\n0.649211 0.998120 0.964329 Zr\n0.149211 0.501880 0.785671 Zr\n0.850789 0.498120 0.285671 Zr\n0.501880 0.149211 0.214329 Zr\n0.498120 0.850789 0.714329 Zr\n0.350789 0.001880 0.464329 Zr\n0.675850 0.675850 0.500000 Zr\n0.824150 0.175850 0.750000 Zr\n0.175850 0.824150 0.250000 Zr\n0.324150 0.324150 0.000000 Zr\n0.051076 0.699291 0.437592 Si\n0.948924 0.300709 0.937592 Si\n0.699291 0.051076 0.562408 Si\n0.199291 0.448924 0.187592 Si\n0.800709 0.551076 0.687592 Si\n0.448924 0.199291 0.812408 Si\n0.551076 0.800709 0.312408 Si\n0.300709 0.948924 0.062408 Si\n0.853162 0.794678 0.822578 Si\n0.146838 0.205322 0.322578 Si\n0.794678 0.853162 0.177422 Si\n0.294678 0.646838 0.572578 Si\n0.705322 0.353162 0.072578 Si\n0.646838 0.294678 0.427422 Si\n0.353162 0.705322 0.927422 Si\n0.205322 0.146838 0.677422 Si\n",
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{
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"created_at": "2022-09-04T14:43:06.550417Z",
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{
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{
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"structure_string": "Ti4 H5\n1.0\n4.221545 0.000000 0.000000\n0.000000 4.221545 0.000000\n0.000000 0.000000 4.604834\nTi H\n4 5\ndirect\n0.743569 0.256431 0.254145 Ti\n0.256431 0.743569 0.254145 Ti\n0.256431 0.256431 0.745855 Ti\n0.743569 0.743569 0.745855 Ti\n0.500000 0.000000 0.000000 H\n0.500000 0.000000 0.500000 H\n0.000000 0.500000 0.000000 H\n0.000000 0.500000 0.500000 H\n0.000000 0.000000 0.000000 H\n",
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{
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{
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{
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"spacegroup": 193
},
{
"id": "mp-1087497",
"created_at": "2022-09-04T14:39:33.032762Z",
"structure_string": "V5 Se4\n1.0\n-4.664095 4.664095 1.663509\n4.664095 -4.664095 1.663509\n4.664095 4.664095 -1.663509\nV Se\n5 4\ndirect\n0.000000 0.000000 0.000000 V\n0.380216 0.306748 0.686964 V\n0.619784 0.693252 0.313036 V\n0.693252 0.380216 0.073469 V\n0.306748 0.619784 0.926531 V\n0.277096 0.062044 0.339140 Se\n0.722904 0.937956 0.660860 Se\n0.937956 0.277096 0.215052 Se\n0.062044 0.722904 0.784948 Se\n",
"nsites": 9,
"nelements": 2,
"elements": [
"V",
"Se"
],
"chemical_system": "Se-V",
"density": 6.5451707758938955,
"density_atomic": 0.06217597264358093,
"volume": 144.7504496888504,
"volume_molar": 9.68563981221728,
"formula_full": "V5 Se4",
"formula_reduced": "V5Se4",
"formula_anonymous": "A4B5",
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"updated_at": "2021-11-28T01:34:29.520000Z",
"spacegroup": 87
},
{
"id": "mp-1224995",
"created_at": "2022-09-04T14:39:47.543674Z",
"structure_string": "Fe5 Sb4\n1.0\n-2.055844 -3.563514 0.000000\n-2.074933 3.574518 -5.084372\n2.074933 -3.574518 -5.084372\nFe Sb\n5 4\ndirect\n0.001630 0.246572 0.243427 Fe\n0.997530 0.751618 0.756657 Fe\n0.001630 0.006573 0.003428 Fe\n0.997530 0.493343 0.498382 Fe\n0.659398 0.284767 0.965233 Fe\n0.668081 0.549860 0.213724 Sb\n0.668081 0.036276 0.700140 Sb\n0.365610 0.490429 0.759571 Sb\n0.307207 0.932214 0.317786 Sb\n",
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"elements": [
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],
"chemical_system": "Fe-Sb",
"density": 8.487574930169654,
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"volume": 149.91478465131092,
"volume_molar": 10.031199279725353,
"formula_full": "Fe5 Sb4",
"formula_reduced": "Fe5Sb4",
"formula_anonymous": "A4B5",
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"updated_at": "2021-11-28T01:34:41.917000Z",
"spacegroup": 44
}
]
}