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{
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{
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"formula_full": "Ba4 Sr4 Gd4 Nb4 O24",
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{
"id": "mp-1223387",
"created_at": "2022-09-04T14:44:26.690436Z",
"structure_string": "K1 Na4 Cl5\n1.0\n16.952993 -2.058688 0.000000\n16.952993 2.058688 0.000000\n16.702996 0.000000 3.556978\nK Na Cl\n1 4 5\ndirect\n0.000000 0.000000 0.000000 K\n0.596229 0.596229 0.596229 Na\n0.199226 0.199226 0.199226 Na\n0.800774 0.800774 0.800774 Na\n0.403771 0.403771 0.403771 Na\n0.705516 0.705516 0.705516 Cl\n0.500000 0.500000 0.500000 Cl\n0.102184 0.102184 0.102184 Cl\n0.294484 0.294484 0.294484 Cl\n0.897816 0.897816 0.897816 Cl\n",
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"volume": 248.2836323825278,
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"formula_full": "K1 Na4 Cl5",
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{
"id": "mp-1222779",
"created_at": "2022-09-04T14:44:26.761952Z",
"structure_string": "Li2 Cu1 Ge1\n1.0\n-1.991380 -1.991380 0.000000\n0.000000 1.991380 -1.991380\n4.924804 -4.924804 -6.916184\nLi Cu Ge\n2 1 1\ndirect\n0.413272 0.826543 0.760185 Li\n0.994409 0.988818 0.016773 Li\n0.589157 0.178314 0.232529 Cu\n0.503162 0.006325 0.490513 Ge\n",
"nsites": 4,
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"chemical_system": "Cu-Ge-Li",
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"formula_full": "Li2 Cu1 Ge1",
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{
"id": "mp-863696",
"created_at": "2022-09-04T14:45:09.955490Z",
"structure_string": "Pm2 Mg1 Si1\n1.0\n0.000000 3.685574 3.685574\n3.685574 0.000000 3.685574\n3.685574 3.685574 0.000000\nPm Mg Si\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Pm\n0.750000 0.750000 0.750000 Pm\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Si\n",
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"density": 5.67839240943935,
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{
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"structure_string": "Ni4 P4 O16\n1.0\n4.805060 0.000000 0.000000\n0.000000 5.752669 0.000000\n0.000000 0.000000 9.937162\nNi P O\n4 4 16\ndirect\n0.450792 0.750000 0.228448 Ni\n0.950792 0.250000 0.271552 Ni\n0.049208 0.750000 0.728448 Ni\n0.549208 0.250000 0.771552 Ni\n0.394766 0.250000 0.092739 P\n0.894766 0.750000 0.407261 P\n0.105234 0.250000 0.592739 P\n0.605234 0.750000 0.907261 P\n0.673355 0.750000 0.058297 O\n0.710921 0.250000 0.109878 O\n0.247153 0.041122 0.165524 O\n0.247153 0.458878 0.165524 O\n0.747153 0.541122 0.334476 O\n0.747153 0.958878 0.334476 O\n0.210921 0.750000 0.390122 O\n0.173355 0.250000 0.441703 O\n0.826645 0.750000 0.558297 O\n0.789079 0.250000 0.609878 O\n0.252847 0.041122 0.665524 O\n0.252847 0.458878 0.665524 O\n0.752847 0.541122 0.834476 O\n0.752847 0.958878 0.834476 O\n0.289079 0.750000 0.890122 O\n0.326645 0.250000 0.941703 O\n",
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{
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"structure_string": "Ta6 Mn1 C3 S6\n1.0\n4.960817 2.865304 0.000000\n-4.960817 2.865304 0.000000\n0.000000 1.900044 8.716758\nTa Mn C S\n6 1 3 6\ndirect\n0.122930 0.122930 0.631773 Ta\n0.455631 0.788927 0.632401 Ta\n0.788927 0.455631 0.632401 Ta\n0.211073 0.544369 0.367599 Ta\n0.544369 0.211073 0.367599 Ta\n0.877070 0.877070 0.368227 Ta\n0.000000 0.000000 0.000000 Mn\n0.167779 0.832221 0.500000 C\n0.500000 0.500000 0.500000 C\n0.832221 0.167779 0.500000 C\n0.278793 0.278793 0.177276 S\n0.603824 0.941111 0.177722 S\n0.941111 0.603824 0.177722 S\n0.058889 0.396176 0.822278 S\n0.396176 0.058889 0.822278 S\n0.721207 0.721207 0.822724 S\n",
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{
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"structure_string": "Sm4 H4 C4 O16\n1.0\n0.000000 -4.949427 0.000000\n-7.243969 0.000000 0.000000\n0.000000 0.000000 -8.606900\nSm H C O\n4 4 4 16\ndirect\n0.748060 0.140555 0.163284 Sm\n0.751940 0.640555 0.336716 Sm\n0.248060 0.859445 0.836716 Sm\n0.251940 0.359445 0.663284 Sm\n0.860577 0.002998 0.470302 H\n0.639423 0.502998 0.029698 H\n0.360577 0.997002 0.529698 H\n0.139423 0.497002 0.970302 H\n0.249260 0.301917 0.324327 C\n0.250740 0.801917 0.175673 C\n0.749260 0.698083 0.675673 C\n0.750740 0.198083 0.824327 C\n0.250553 0.204466 0.199317 O\n0.249447 0.704466 0.300683 O\n0.750553 0.795534 0.800683 O\n0.749447 0.295534 0.699317 O\n0.744743 0.958604 0.385984 O\n0.755257 0.458604 0.114016 O\n0.244743 0.041396 0.614016 O\n0.255257 0.541396 0.885984 O\n0.021348 0.347282 0.389181 O\n0.478652 0.847283 0.110819 O\n0.521348 0.652717 0.610819 O\n0.978652 0.152718 0.889181 O\n0.973914 0.653489 0.607569 O\n0.526086 0.153489 0.892431 O\n0.473914 0.346511 0.392431 O\n0.026086 0.846511 0.107569 O\n",
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{
"id": "mp-1232341",
"created_at": "2022-09-04T14:44:26.725001Z",
"structure_string": "K2 Li2 Cu1 Br2 O2\n1.0\n-2.059987 2.059987 11.824567\n2.059987 -2.059987 11.824567\n2.059987 2.059987 -11.824567\nK Li Cu Br O\n2 2 1 2 2\ndirect\n0.931289 0.931289 0.000000 K\n0.068711 0.068711 0.000000 K\n0.750000 0.250000 0.500000 Li\n0.250000 0.750000 0.500000 Li\n0.500000 0.500000 0.000000 Cu\n0.311338 0.311338 0.000000 Br\n0.688662 0.688662 0.000000 Br\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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{
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"structure_string": "Th14 Au51\n1.0\n6.508992 -11.273905 0.000000\n6.508992 11.273905 0.000000\n0.000000 0.000000 9.401704\nTh Au\n14 51\ndirect\n0.666667 0.333333 0.703147 Th\n0.666667 0.333333 0.296853 Th\n0.390486 0.946292 0.000000 Th\n0.555806 0.609514 0.000000 Th\n0.053708 0.444194 0.000000 Th\n0.953416 0.733908 0.000000 Th\n0.780491 0.046584 0.000000 Th\n0.266092 0.219509 0.000000 Th\n0.988901 0.189546 0.500000 Th\n0.200645 0.011099 0.500000 Th\n0.810454 0.799355 0.500000 Th\n0.343850 0.476652 0.500000 Th\n0.132802 0.656150 0.500000 Th\n0.523348 0.867198 0.500000 Th\n0.042244 0.216611 0.847568 Au\n0.174367 0.957756 0.847568 Au\n0.783389 0.825633 0.847568 Au\n0.289055 0.451369 0.848163 Au\n0.162313 0.710945 0.848163 Au\n0.548631 0.837687 0.848163 Au\n0.289055 0.451369 0.151837 Au\n0.162313 0.710945 0.151837 Au\n0.548631 0.837687 0.151837 Au\n0.042244 0.216611 0.152432 Au\n0.174367 0.957756 0.152432 Au\n0.783389 0.825633 0.152432 Au\n0.327633 0.891293 0.663628 Au\n0.563660 0.672367 0.663628 Au\n0.108707 0.436340 0.663628 Au\n0.006977 0.776693 0.663583 Au\n0.769716 0.993023 0.663583 Au\n0.223307 0.230284 0.663583 Au\n0.006977 0.776693 0.336417 Au\n0.769716 0.993023 0.336417 Au\n0.223307 0.230284 0.336417 Au\n0.327633 0.891293 0.336372 Au\n0.563660 0.672367 0.336372 Au\n0.108707 0.436340 0.336372 Au\n0.000000 0.000000 0.000000 Au\n0.333333 0.666667 0.000000 Au\n0.000000 0.000000 0.689457 Au\n0.333333 0.666667 0.688640 Au\n0.333333 0.666667 0.311360 Au\n0.000000 0.000000 0.310543 Au\n0.858392 0.259255 0.771993 Au\n0.400863 0.141608 0.771993 Au\n0.740745 0.599137 0.771993 Au\n0.474973 0.411659 0.768859 Au\n0.936686 0.525027 0.768859 Au\n0.588341 0.063314 0.768859 Au\n0.474973 0.411659 0.231141 Au\n0.936686 0.525027 0.231141 Au\n0.588341 0.063314 0.231141 Au\n0.858392 0.259255 0.228007 Au\n0.400863 0.141608 0.228007 Au\n0.740745 0.599137 0.228007 Au\n0.487057 0.096394 0.500000 Au\n0.609338 0.512943 0.500000 Au\n0.903606 0.390662 0.500000 Au\n0.846893 0.571373 0.500000 Au\n0.724480 0.153107 0.500000 Au\n0.428627 0.275520 0.500000 Au\n0.696453 0.226113 0.000000 Au\n0.529660 0.303547 0.000000 Au\n0.773887 0.470340 0.000000 Au\n",
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"elements": [
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],
"chemical_system": "Au-Th",
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"formula_reduced": "Th14Au51",
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"updated_at": "2021-11-28T01:36:39.696000Z",
"spacegroup": 174
},
{
"id": "mp-1222607",
"created_at": "2022-09-04T14:44:27.074494Z",
"structure_string": "Li2 Sn1 Pt1\n1.0\n0.000000 3.181389 3.181389\n3.181389 0.000000 3.181389\n3.181389 3.181389 0.000000\nLi Sn Pt\n2 1 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 Sn\n0.750000 0.750000 0.750000 Pt\n",
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"elements": [
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],
"chemical_system": "Li-Pt-Sn",
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"density_atomic": 0.06211259447175946,
"volume": 64.39917755840432,
"volume_molar": 9.695522802123598,
"formula_full": "Li2 Sn1 Pt1",
"formula_reduced": "Li2SnPt",
"formula_anonymous": "ABC2",
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"total_magnetization": 0.000121,
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"updated_at": "2021-11-28T01:36:40.211000Z",
"spacegroup": 216
}
]
}