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{
"id": "mp-753284",
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"structure_string": "Li4 Co4 C8 O24\n1.0\n2.351381 2.169484 4.718769\n15.414435 -1.242345 -2.708157\n-1.175325 4.071407 -4.724261\nLi Co C O\n4 4 8 24\ndirect\n0.370390 0.169218 0.098654 Li\n0.869458 0.669145 0.096598 Li\n0.270784 0.419838 0.402880 Li\n0.772482 0.918919 0.402542 Li\n0.964645 0.000994 0.964618 Co\n0.499803 0.750876 0.535036 Co\n0.462535 0.501286 0.963375 Co\n0.998745 0.251227 0.536768 Co\n0.801478 0.109742 0.570616 C\n0.298863 0.610118 0.568573 C\n0.227783 0.360583 0.930599 C\n0.733487 0.859247 0.929511 C\n0.872493 0.146505 0.112464 C\n0.372294 0.646695 0.111118 C\n0.759981 0.396707 0.387995 C\n0.259938 0.896442 0.389115 C\n0.846818 0.027727 0.644560 O\n0.342495 0.528245 0.642638 O\n0.197820 0.278667 0.856805 O\n0.704602 0.777381 0.854489 O\n0.077205 0.111389 0.068379 O\n0.575725 0.611608 0.065315 O\n0.009253 0.361392 0.434116 O\n0.508799 0.861562 0.433099 O\n0.686358 0.102648 0.040788 O\n0.186932 0.602619 0.041734 O\n0.643387 0.353038 0.457807 O\n0.145768 0.852269 0.460306 O\n0.570205 0.151623 0.451480 O\n0.068093 0.652533 0.450219 O\n0.115128 0.403020 0.048955 O\n0.620863 0.900972 0.048607 O\n0.020719 0.139232 0.629149 O\n0.519168 0.638841 0.626051 O\n0.390484 0.389204 0.872846 O\n0.895151 0.888669 0.872046 O\n0.860248 0.222035 0.212650 O\n0.360737 0.722319 0.210729 O\n0.650182 0.472223 0.287690 O\n0.147214 0.971946 0.289086 O\n",
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{
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{
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"structure_string": "Ba6 Tb4 W2 O18\n1.0\n3.066916 3.053025 -4.324436\n6.152063 -0.000182 8.622364\n6.145823 -6.111443 -0.014889\nBa Tb W O\n6 4 2 18\ndirect\n0.494711 0.491863 0.249666 Ba\n0.174701 0.839817 0.571522 Ba\n0.821814 0.166828 0.922255 Ba\n0.171956 0.841470 0.083667 Ba\n0.844853 0.166505 0.411078 Ba\n0.491965 0.493517 0.761812 Ba\n0.000203 0.504520 0.997817 Tb\n0.666464 0.828813 0.335516 Tb\n0.333333 0.166667 0.666667 Tb\n0.333333 0.166667 0.166667 Tb\n0.996416 0.497762 0.501892 W\n0.670251 0.835571 0.831441 W\n0.543886 0.012093 0.280029 O\n0.172915 0.359260 0.599101 O\n0.860087 0.706909 0.918921 O\n0.122780 0.321241 0.053305 O\n0.806580 0.626424 0.414412 O\n0.493752 0.974073 0.734232 O\n0.284345 0.662828 0.414758 O\n0.957382 0.002600 0.747912 O\n0.645946 0.370393 0.064149 O\n0.647983 0.846079 0.054407 O\n0.297576 0.192941 0.407173 O\n0.985868 0.522561 0.715669 O\n0.382321 0.670506 0.918576 O\n0.020721 0.962940 0.269184 O\n0.709285 0.330733 0.585421 O\n0.018684 0.487254 0.278926 O\n0.680798 0.810773 0.617665 O\n0.369091 0.140392 0.926160 O\n",
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{
"id": "mp-1075902",
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"structure_string": "Eu1 Cu1 O3\n1.0\n3.825935 0.000000 0.000000\n0.000000 3.825935 0.000000\n0.000000 0.000000 3.825935\nEu Cu O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Eu\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
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{
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"structure_string": "Hf2 Fe2 Cl12\n1.0\n3.180803 -5.509312 0.000000\n3.180803 5.509312 0.000000\n0.000000 0.000000 12.871877\nHf Fe Cl\n2 2 12\ndirect\n0.333333 0.666667 0.250000 Hf\n0.666667 0.333333 0.750000 Hf\n0.000000 0.000000 0.250000 Fe\n0.000000 0.000000 0.750000 Fe\n0.664340 0.968434 0.139935 Cl\n0.031566 0.695906 0.139935 Cl\n0.304094 0.335660 0.139935 Cl\n0.031566 0.335660 0.360065 Cl\n0.335660 0.304094 0.639935 Cl\n0.695906 0.031566 0.639935 Cl\n0.968434 0.664340 0.639935 Cl\n0.695906 0.664340 0.860065 Cl\n0.968434 0.304094 0.860065 Cl\n0.335660 0.031566 0.860065 Cl\n0.664340 0.695906 0.360065 Cl\n0.304094 0.968434 0.360065 Cl\n",
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{
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{
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{
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"structure_string": "Cu12 Sb4 S12\n1.0\n6.541463 0.000000 0.000000\n0.000000 8.099059 0.000000\n0.000000 0.000000 10.268644\nCu Sb S\n12 4 12\ndirect\n0.987587 0.076195 0.466642 Cu\n0.487587 0.423805 0.533358 Cu\n0.512413 0.923805 0.966642 Cu\n0.012413 0.576195 0.033358 Cu\n0.129955 0.367796 0.412277 Cu\n0.629955 0.132204 0.587723 Cu\n0.870045 0.867796 0.087723 Cu\n0.370045 0.632204 0.912277 Cu\n0.054531 0.169109 0.094441 Cu\n0.554531 0.330891 0.905559 Cu\n0.945469 0.669109 0.405559 Cu\n0.445469 0.830891 0.594441 Cu\n0.886289 0.725291 0.736021 Sb\n0.386289 0.774709 0.263979 Sb\n0.113711 0.225291 0.763979 Sb\n0.613711 0.274709 0.236021 Sb\n0.602087 0.681952 0.073773 S\n0.102087 0.818048 0.926227 S\n0.897913 0.318048 0.573773 S\n0.397913 0.181952 0.426227 S\n0.874833 0.049727 0.254818 S\n0.374833 0.450273 0.745182 S\n0.125167 0.549727 0.245182 S\n0.625167 0.950273 0.754818 S\n0.397721 0.161698 0.054528 S\n0.897721 0.338302 0.945472 S\n0.602279 0.661698 0.445472 S\n0.102279 0.838302 0.554528 S\n",
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{
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"structure_string": "Tl6 Ag3 I9\n1.0\n7.398645 -5.377780 0.000000\n7.398645 5.377780 0.000000\n3.489751 0.000000 8.454709\nTl Ag I\n6 3 9\ndirect\n0.554256 0.327324 0.888256 Tl\n0.888256 0.554256 0.327324 Tl\n0.327324 0.888256 0.554256 Tl\n0.445744 0.672676 0.111744 Tl\n0.111744 0.445744 0.672676 Tl\n0.672676 0.111744 0.445744 Tl\n0.000000 0.000000 0.000000 Ag\n0.843599 0.843599 0.843599 Ag\n0.156401 0.156401 0.156401 Ag\n0.669345 0.910100 0.151456 I\n0.151456 0.669345 0.910100 I\n0.910100 0.151456 0.669345 I\n0.330655 0.089900 0.848544 I\n0.848544 0.330655 0.089900 I\n0.089900 0.848544 0.330655 I\n0.704749 0.704749 0.704749 I\n0.295251 0.295251 0.295251 I\n0.500000 0.500000 0.500000 I\n",
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"elements": [
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],
"chemical_system": "Ag-I-Tl",
"density": 6.644273050338004,
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"formula_full": "Tl6 Ag3 I9",
"formula_reduced": "Tl2AgI3",
"formula_anonymous": "AB2C3",
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"updated_at": "2021-11-28T01:36:44.487000Z",
"spacegroup": 148
},
{
"id": "mp-866827",
"created_at": "2022-09-04T14:44:55.960763Z",
"structure_string": "Ca6 Sn4 S14\n1.0\n3.516263 -12.003813 0.000000\n3.516263 12.003813 0.000000\n0.000000 0.000000 6.928682\nCa Sn S\n6 4 14\ndirect\n0.791143 0.791143 0.250000 Ca\n0.208857 0.208857 0.750000 Ca\n0.959369 0.584431 0.250000 Ca\n0.415569 0.040631 0.750000 Ca\n0.040631 0.415569 0.750000 Ca\n0.584431 0.959369 0.250000 Ca\n0.360135 0.153373 0.250000 Sn\n0.846627 0.639865 0.750000 Sn\n0.639865 0.846627 0.750000 Sn\n0.153373 0.360135 0.250000 Sn\n0.379316 0.379316 0.250000 S\n0.620684 0.620684 0.750000 S\n0.357526 0.950058 0.250000 S\n0.049942 0.642474 0.750000 S\n0.642474 0.049942 0.750000 S\n0.950058 0.357526 0.250000 S\n0.363083 0.636917 0.000000 S\n0.363083 0.636917 0.500000 S\n0.636917 0.363083 0.000000 S\n0.636917 0.363083 0.500000 S\n0.073226 0.926774 0.500000 S\n0.073226 0.926774 0.000000 S\n0.926774 0.073226 0.500000 S\n0.926774 0.073226 0.000000 S\n",
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"elements": [
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],
"chemical_system": "Ca-S-Sn",
"density": 3.30523398875815,
"density_atomic": 0.04103269524831213,
"volume": 584.8994284865369,
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"formula_full": "Ca6 Sn4 S14",
"formula_reduced": "Ca3Sn2S7",
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"updated_at": "2021-11-28T01:36:45.244000Z",
"spacegroup": 63
},
{
"id": "mp-1006151",
"created_at": "2022-09-04T14:44:56.127517Z",
"structure_string": "Na3 Pu1\n1.0\n0.000000 4.192058 4.192058\n4.192058 0.000000 4.192058\n4.192058 4.192058 0.000000\nNa Pu\n3 1\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Pu\n",
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"elements": [
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],
"chemical_system": "Na-Pu",
"density": 3.5272724221190583,
"density_atomic": 0.027148644292068733,
"volume": 147.33700721728374,
"volume_molar": 22.182104915490466,
"formula_full": "Na3 Pu1",
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"updated_at": "2021-11-28T01:36:40.873000Z",
"spacegroup": 225
}
]
}