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{
"id": "mp-1093940",
"created_at": "2022-09-04T14:40:28.001532Z",
"structure_string": "Ba1 Ca1 Cd2\n1.0\n-6.957490 7.029899 9.855929\n6.957490 -7.029899 9.855929\n6.957490 7.029899 -9.855929\nBa Ca Cd\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ca\n0.240494 0.000000 0.240494 Cd\n0.759506 0.000000 0.759506 Cd\n",
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{
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{
"id": "mp-1256664",
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"structure_string": "Si2 Tc1 Ru1\n1.0\n-7.904038 0.002178 -4.559843\n-9.870856 -0.286028 7.965260\n-5.791506 11.252115 0.899616\nSi Tc Ru\n2 1 1\ndirect\n0.748204 0.999950 0.999950 Si\n0.251796 0.000050 0.000050 Si\n0.000000 0.000000 0.000000 Tc\n0.500000 0.000000 0.000000 Ru\n",
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"volume": 1224.3663814046106,
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"updated_at": "2021-11-28T01:38:23.196000Z",
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{
"id": "mp-1093656",
"created_at": "2022-09-04T14:45:22.313918Z",
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"nsites": 4,
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"density": 0.3449723801448868,
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"formula_full": "Ca2 Ag1 Rh1",
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},
{
"id": "mp-1096227",
"created_at": "2022-09-04T14:44:07.657597Z",
"structure_string": "Ca1 Cd2 In1\n1.0\n-6.171129 7.215129 10.273753\n6.171129 -7.215129 10.273753\n6.171129 7.215129 -10.273753\nCa Cd In\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.262118 0.262118 Cd\n0.000000 0.737882 0.737882 Cd\n0.000000 0.500000 0.500000 In\n",
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"formula_full": "Ca1 Cd2 In1",
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"updated_at": "2021-11-28T01:36:29.224000Z",
"spacegroup": 71
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{
"id": "mp-1096570",
"created_at": "2022-09-04T14:43:20.141101Z",
"structure_string": "Sc1 Al2 Tc1\n1.0\n-5.286707 5.670686 7.941357\n5.286707 -5.670686 7.941357\n5.286707 5.670686 -7.941357\nSc Al Tc\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.268480 0.268480 Al\n0.000000 0.731520 0.731520 Al\n0.000000 0.500000 0.500000 Tc\n",
"nsites": 4,
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"density": 0.34336904645939764,
"density_atomic": 0.004200339925612549,
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"formula_full": "Sc1 Al2 Tc1",
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"updated_at": "2021-11-28T01:36:06.999000Z",
"spacegroup": 71
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{
"id": "mp-1093889",
"created_at": "2022-09-04T14:45:30.779851Z",
"structure_string": "Li2 Zn1 Ag1\n1.0\n-5.335764 5.479025 7.741923\n5.335764 -5.479025 7.741923\n5.335764 5.479025 -7.741923\nLi Zn Ag\n2 1 1\ndirect\n0.000000 0.257928 0.257928 Li\n0.000000 0.742072 0.742072 Li\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Ag\n",
"nsites": 4,
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"chemical_system": "Ag-Li-Zn",
"density": 0.34328240495637835,
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"volume": 905.333797440317,
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"formula_full": "Li2 Zn1 Ag1",
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"updated_at": "2021-11-28T01:36:57.399000Z",
"spacegroup": 71
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{
"id": "mp-1188724",
"created_at": "2022-09-04T14:40:16.605924Z",
"structure_string": "Fe12 C4\n1.0\n11.873679 0.000000 0.000000\n0.000000 14.266616 0.000000\n0.000000 0.000000 20.522858\nFe C\n12 4\ndirect\n0.161527 0.669050 0.064903 Fe\n0.338473 0.169050 0.435097 Fe\n0.838473 0.330950 0.564903 Fe\n0.661527 0.830950 0.935097 Fe\n0.838473 0.330950 0.935097 Fe\n0.661527 0.830950 0.564903 Fe\n0.161527 0.669050 0.435097 Fe\n0.338473 0.169050 0.064903 Fe\n0.654210 0.525691 0.250000 Fe\n0.845790 0.025691 0.250000 Fe\n0.345790 0.474309 0.750000 Fe\n0.154210 0.974309 0.750000 Fe\n0.524608 0.504532 0.250000 C\n0.975392 0.004532 0.250000 C\n0.475392 0.495468 0.750000 C\n0.024608 0.995468 0.750000 C\n",
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"density": 0.34303622258655975,
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"volume": 3476.5150670327484,
"volume_molar": 130.8503942995753,
"formula_full": "Fe12 C4",
"formula_reduced": "Fe3C",
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"updated_at": "2021-11-28T01:34:59.348000Z",
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{
"id": "mp-1093762",
"created_at": "2022-09-04T14:44:11.804447Z",
"structure_string": "K1 Na2 Pb1\n1.0\n-5.874457 6.842160 8.814197\n5.874457 -6.842160 8.814197\n5.874457 6.842160 -8.814197\nK Na Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 K\n0.277970 0.000000 0.277970 Na\n0.722030 0.000000 0.722030 Na\n0.500000 0.000000 0.500000 Pb\n",
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"volume": 1417.1104451262918,
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"formula_full": "K1 Na2 Pb1",
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{
"id": "mp-1207131",
"created_at": "2022-09-04T14:46:37.326838Z",
"structure_string": "Rb1 Yb3 S6\n1.0\n4.979198 -10.600125 0.000000\n4.979198 10.600125 0.000000\n0.000000 0.000000 36.640339\nRb Yb S\n1 3 6\ndirect\n0.000000 0.000000 0.000000 Rb\n0.000000 0.000000 0.500000 Yb\n0.500000 0.000000 0.000000 Yb\n0.000000 0.500000 0.000000 Yb\n0.000000 0.000000 0.230699 S\n0.000000 0.000000 0.769301 S\n0.252314 0.958508 0.000000 S\n0.747686 0.041492 0.000000 S\n0.958508 0.252314 0.000000 S\n0.041492 0.747686 0.000000 S\n",
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"volume": 3867.7630664398534,
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{
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"nsites": 4,
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{
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"structure_string": "Hg1 H3 I1 O6\n1.0\n12.350696 0.000000 0.000000\n5.821764 12.847438 0.000000\n2.697509 5.787997 13.048756\nHg H I O\n1 3 1 6\ndirect\n0.000387 0.999921 0.000280 Hg\n0.578562 0.129746 0.679944 H\n0.899447 0.310859 0.347471 H\n0.188623 0.615569 0.781469 H\n0.522702 0.522350 0.482951 I\n0.780128 0.426098 0.734854 O\n0.542672 0.889457 0.318377 O\n0.503264 0.128643 0.667184 O\n0.271550 0.578458 0.241124 O\n0.871041 0.340631 0.277022 O\n0.174344 0.663848 0.707664 O\n",
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],
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"volume": 2070.508763122277,
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"formula_full": "Hg1 H3 I1 O6",
"formula_reduced": "HgH3IO6",
"formula_anonymous": "ABC3D6",
"energy": -33.51654647,
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}
]
}