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{
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{
"id": "mp-560544",
"created_at": "2022-09-04T14:42:57.833949Z",
"structure_string": "Ba6 Zn10 In4 O22\n1.0\n0.000000 6.782814 6.782814\n6.782814 0.000000 6.782814\n6.782814 6.782814 0.000000\nBa Zn In O\n6 10 4 22\ndirect\n0.956775 0.543225 0.543225 Ba\n0.956775 0.543225 0.956775 Ba\n0.543225 0.543225 0.956775 Ba\n0.543225 0.956775 0.956775 Ba\n0.956775 0.956775 0.543225 Ba\n0.543225 0.956775 0.543225 Ba\n0.166998 0.499005 0.166998 Zn\n0.166998 0.166998 0.166998 Zn\n0.166998 0.166998 0.499005 Zn\n0.831641 0.168359 0.168359 Zn\n0.168359 0.831641 0.831641 Zn\n0.168359 0.168359 0.831641 Zn\n0.831641 0.168359 0.831641 Zn\n0.499005 0.166998 0.166998 Zn\n0.168359 0.831641 0.168359 Zn\n0.831641 0.831641 0.168359 Zn\n0.415326 0.754023 0.415326 In\n0.415326 0.415326 0.754023 In\n0.415326 0.415326 0.415326 In\n0.754023 0.415326 0.415326 In\n0.908082 0.908082 0.908082 O\n0.252503 0.252503 0.916395 O\n0.908082 0.275755 0.908082 O\n0.916395 0.252503 0.578599 O\n0.916395 0.578599 0.252503 O\n0.578599 0.916395 0.252503 O\n0.581340 0.255981 0.581340 O\n0.252503 0.916395 0.578599 O\n0.275755 0.908082 0.908082 O\n0.252503 0.252503 0.578599 O\n0.252503 0.578599 0.252503 O\n0.750000 0.750000 0.750000 O\n0.578599 0.252503 0.252503 O\n0.581340 0.581340 0.581340 O\n0.581340 0.581340 0.255981 O\n0.908082 0.908082 0.275755 O\n0.252503 0.916395 0.252503 O\n0.916395 0.252503 0.252503 O\n0.250000 0.250000 0.250000 O\n0.252503 0.578599 0.916395 O\n0.578599 0.252503 0.916395 O\n0.255981 0.581340 0.581340 O\n",
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"formula_full": "Ba6 Zn10 In4 O22",
"formula_reduced": "Ba3Zn5In2O11",
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{
"id": "mp-980949",
"created_at": "2022-09-04T14:42:59.353535Z",
"structure_string": "W2 Cl8\n1.0\n3.259891 6.291809 0.000000\n-3.259891 6.291809 0.000000\n0.000000 5.567899 6.441063\nW Cl\n2 8\ndirect\n0.795304 0.204696 0.000000 W\n0.204696 0.795304 0.000000 W\n0.671781 0.671781 0.850903 Cl\n0.205818 0.205818 0.821417 Cl\n0.784527 0.258472 0.710115 Cl\n0.258472 0.784527 0.710115 Cl\n0.741528 0.215473 0.289885 Cl\n0.215473 0.741528 0.289885 Cl\n0.794182 0.794182 0.178583 Cl\n0.328219 0.328219 0.149097 Cl\n",
"nsites": 10,
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"elements": [
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"chemical_system": "Cl-W",
"density": 4.093235112859161,
"density_atomic": 0.03784720809626669,
"volume": 264.22028210282747,
"volume_molar": 15.911717304701357,
"formula_full": "W2 Cl8",
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"formula_anonymous": "AB4",
"energy": -53.89508995,
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"spacegroup": 12
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{
"id": "mp-1196951",
"created_at": "2022-09-04T14:42:57.918405Z",
"structure_string": "Ce4 Te14 Br4 O34\n1.0\n5.506945 0.000000 0.000000\n0.000000 9.935752 0.000000\n0.000000 7.466754 19.219246\nCe Te Br O\n4 14 4 34\ndirect\n0.864640 0.495461 0.908460 Ce\n0.135360 0.504539 0.091540 Ce\n0.864640 0.504539 0.591540 Ce\n0.135360 0.495461 0.408460 Ce\n0.396457 0.214588 0.910555 Te\n0.603543 0.785412 0.089445 Te\n0.396457 0.785412 0.589445 Te\n0.603543 0.214588 0.410555 Te\n0.559796 0.500000 0.750000 Te\n0.440204 0.500000 0.250000 Te\n0.674180 0.236801 0.079672 Te\n0.325820 0.763199 0.920328 Te\n0.674180 0.763199 0.420328 Te\n0.325820 0.236801 0.579672 Te\n0.017904 0.826017 0.743843 Te\n0.982096 0.173983 0.256157 Te\n0.017904 0.173983 0.756157 Te\n0.982096 0.826017 0.243843 Te\n0.833044 0.969854 0.921011 Br\n0.166956 0.030146 0.078989 Br\n0.833044 0.030146 0.578989 Br\n0.166956 0.969854 0.421011 Br\n0.635612 0.343054 0.849810 O\n0.364388 0.656946 0.150190 O\n0.635612 0.656946 0.650190 O\n0.364388 0.343054 0.349810 O\n0.428770 0.362320 0.088879 O\n0.571230 0.637680 0.911121 O\n0.428770 0.637680 0.411121 O\n0.571230 0.362320 0.588879 O\n0.121428 0.712427 0.837086 O\n0.878572 0.287573 0.162914 O\n0.121428 0.287573 0.662914 O\n0.878572 0.712427 0.337086 O\n0.595894 0.276856 0.977374 O\n0.404106 0.723144 0.022626 O\n0.595894 0.723144 0.522626 O\n0.404106 0.276856 0.477374 O\n0.162156 0.360011 0.900499 O\n0.837844 0.639989 0.099501 O\n0.162156 0.639989 0.599501 O\n0.837844 0.360011 0.400499 O\n0.900880 0.386012 0.032371 O\n0.099120 0.613988 0.967629 O\n0.900880 0.613988 0.467629 O\n0.099120 0.386012 0.532371 O\n0.789226 0.598780 0.785975 O\n0.210774 0.401220 0.214025 O\n0.789226 0.401220 0.714025 O\n0.210774 0.598780 0.285975 O\n0.189173 0.000000 0.750000 O\n0.810827 0.000000 0.250000 O\n0.277403 0.775469 0.697932 O\n0.722597 0.224531 0.302068 O\n0.277403 0.224531 0.802068 O\n0.722597 0.775469 0.197932 O\n",
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"elements": [
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"Br",
"O"
],
"chemical_system": "Br-Ce-O-Te",
"density": 5.069539125131938,
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"volume": 1051.5933413182333,
"volume_molar": 11.308648435173438,
"formula_full": "Ce4 Te14 Br4 O34",
"formula_reduced": "Ce2Te7Br2O17",
"formula_anonymous": "A2B2C7D17",
"energy": -352.80646461000003,
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"updated_at": "2021-11-28T01:35:55.795000Z",
"spacegroup": 13
},
{
"id": "mp-851809",
"created_at": "2022-09-04T14:42:57.934238Z",
"structure_string": "Sn16 N16 O8\n1.0\n8.848094 0.000000 0.000000\n-2.953340 8.348395 0.000000\n-2.927157 -4.175885 7.243263\nSn N O\n16 16 8\ndirect\n0.503181 0.003759 0.002369 Sn\n0.718813 0.960830 0.748251 Sn\n0.557698 0.341384 0.704123 Sn\n0.039016 0.322413 0.213992 Sn\n0.774854 0.524698 0.258614 Sn\n0.691608 0.224687 0.525835 Sn\n0.980468 0.987655 0.507705 Sn\n0.676623 0.707243 0.037052 Sn\n0.515666 0.504573 0.491645 Sn\n0.995086 0.491269 0.000047 Sn\n0.314407 0.288509 0.968386 Sn\n0.301618 0.775590 0.471981 Sn\n0.197758 0.452813 0.762197 Sn\n0.474550 0.694751 0.277136 Sn\n0.965362 0.683084 0.784257 Sn\n0.283990 0.035912 0.250374 Sn\n0.694850 0.952355 0.040150 N\n0.013535 0.506607 0.259587 N\n0.218698 0.459515 0.009052 N\n0.975666 0.252964 0.492937 N\n0.809784 0.574089 0.460966 N\n0.007450 0.501895 0.726297 N\n0.036425 0.770695 0.503623 N\n0.183300 0.231835 0.270557 N\n0.780922 0.551963 0.997041 N\n0.249256 0.704675 0.763354 N\n0.471498 0.512962 0.744019 N\n0.532449 0.988864 0.236483 N\n0.810612 0.816055 0.223624 N\n0.414966 0.187267 0.538191 N\n0.812651 0.776308 0.728416 N\n0.446779 0.182380 0.044987 N\n0.309716 0.029461 0.956742 O\n0.177901 0.405662 0.553847 O\n0.578906 0.844968 0.937800 O\n0.189025 0.191743 0.762760 O\n0.738197 0.289177 0.246276 O\n0.591344 0.816984 0.452153 O\n0.456455 0.000682 0.779584 O\n0.508918 0.451727 0.267591 O\n",
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"formula_full": "Sn16 N16 O8",
"formula_reduced": "Sn2N2O",
"formula_anonymous": "AB2C2",
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{
"id": "mp-1247225",
"created_at": "2022-09-04T14:42:57.927432Z",
"structure_string": "Mg16 Ge4 N16\n1.0\n5.390201 0.000000 0.000000\n0.000000 10.723282 0.000000\n0.000000 0.000000 8.282621\nMg Ge N\n16 4 16\ndirect\n0.180820 0.359333 0.617684 Mg\n0.319180 0.640667 0.617684 Mg\n0.180820 0.140667 0.882316 Mg\n0.319180 0.859333 0.882316 Mg\n0.819180 0.640667 0.382316 Mg\n0.680820 0.359333 0.382316 Mg\n0.819180 0.859333 0.117684 Mg\n0.680820 0.140667 0.117684 Mg\n0.750000 0.500000 0.043648 Mg\n0.750000 0.000000 0.456352 Mg\n0.250000 0.500000 0.956352 Mg\n0.250000 0.000000 0.543648 Mg\n0.725524 0.250000 0.750000 Mg\n0.774476 0.750000 0.750000 Mg\n0.274476 0.750000 0.250000 Mg\n0.225524 0.250000 0.250000 Mg\n0.750000 0.500000 0.711205 Ge\n0.750000 0.000000 0.788795 Ge\n0.250000 0.500000 0.288795 Ge\n0.250000 0.000000 0.211204 Ge\n0.552113 0.379719 0.611474 N\n0.947887 0.620281 0.611474 N\n0.552113 0.120281 0.888526 N\n0.947887 0.879719 0.888526 N\n0.447887 0.620281 0.388526 N\n0.052113 0.379719 0.388526 N\n0.447887 0.879719 0.111474 N\n0.052113 0.120281 0.111474 N\n0.968723 0.102936 0.658716 N\n0.531277 0.897064 0.658716 N\n0.968723 0.397064 0.841284 N\n0.531277 0.602936 0.841284 N\n0.031277 0.897064 0.341284 N\n0.468722 0.102936 0.341284 N\n0.031277 0.602936 0.158716 N\n0.468722 0.397064 0.158716 N\n",
"nsites": 36,
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"formula_full": "Mg16 Ge4 N16",
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{
"id": "mp-1186628",
"created_at": "2022-09-04T14:42:58.194039Z",
"structure_string": "Pm1 Pr1 Ir2\n1.0\n0.000000 3.552201 3.552201\n3.552201 0.000000 3.552201\n3.552201 3.552201 0.000000\nPm Pr Ir\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Pm\n0.000000 0.000000 0.000000 Pr\n0.250000 0.250000 0.250000 Ir\n0.750000 0.750000 0.750000 Ir\n",
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{
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