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{
"id": "jvasp-37205",
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"structure_string": "Mg3 Sn1\n1.0\n4.470502 0.000000 -0.000000\n-0.000000 4.470502 -0.000000\n0.000000 0.000000 4.470502\nMg Sn\n3 1\ndirect\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Sn\n",
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{
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"structure_string": "K1 Be1 Cd1\n1.0\n-1.743631 1.743631 6.154316\n1.743631 -1.743631 6.154316\n1.743631 1.743631 -6.154316\nK Be Cd\n1 1 1\ndirect\n0.666378 0.666378 0.000000 K\n0.940733 0.940733 0.000000 Be\n0.392890 0.392890 0.000000 Cd\n",
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{
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"structure_string": "Rb4 Co2 S4\n1.0\n5.572685 0.000000 -2.336900\n-1.259617 6.129590 -3.003745\n0.075452 0.002114 7.992827\nRb Co S\n4 2 4\ndirect\n0.647946 0.809586 0.295893 Rb\n0.352054 0.190413 0.704108 Rb\n0.852054 0.513693 0.704108 Rb\n0.147946 0.486306 0.295893 Rb\n0.250000 -0.000000 0.000000 Co\n0.750001 -0.000000 0.000000 Co\n0.403588 0.727984 0.807178 S\n0.596412 0.272015 0.192823 S\n0.096411 0.920807 0.192823 S\n0.903588 0.079192 0.807178 S\n",
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{
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"updated_at": "2022-09-04T14:38:01.087351Z",
"structure_string": "Sn4 H4 C8 O12\n1.0\n5.426672 3.957825 -3.282686\n-5.426672 3.957825 3.282686\n0.090097 0.000000 8.269730\nSn H C O\n4 4 8 12\ndirect\n0.806613 0.193386 0.158124 Sn\n0.193386 0.806613 0.841876 Sn\n0.712529 0.712529 -0.000000 Sn\n0.287470 0.287470 -0.000000 Sn\n0.986774 0.221812 0.544314 H\n0.778187 0.013224 0.544314 H\n0.013225 0.778187 0.455687 H\n0.221812 0.986774 0.455687 H\n0.521960 0.292530 0.472680 C\n0.707469 0.478039 0.472680 C\n0.292530 0.521960 0.527321 C\n0.478039 0.707469 0.527321 C\n0.776259 0.408610 0.679048 C\n0.408610 0.776259 0.320952 C\n0.223740 0.591388 0.320952 C\n0.591389 0.223739 0.679048 C\n0.616998 0.383001 0.046478 O\n0.070160 0.527303 0.191398 O\n0.472696 0.929839 0.191398 O\n0.929839 0.472696 0.808602 O\n0.527303 0.070160 0.808602 O\n0.219047 0.364825 0.650159 O\n0.635174 0.780952 0.650159 O\n0.780953 0.635174 0.349841 O\n0.364825 0.219046 0.349841 O\n0.846044 0.153955 0.465501 O\n0.153956 0.846043 0.534500 O\n0.383001 0.616997 0.953523 O\n",
"nsites": 28,
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"created_at": "2022-09-04T14:38:07.299357Z",
"updated_at": "2022-09-04T14:38:07.299368Z",
"structure_string": "Li3 Ga2\n1.0\n3.938970 -0.011806 3.410319\n1.551184 3.620698 3.410319\n-0.017959 -0.011806 5.210128\nLi Ga\n3 2\ndirect\n0.596337 0.596336 0.596338 Li\n0.403663 0.403662 0.403664 Li\n0.000000 0.000000 0.000000 Li\n0.202439 0.202439 0.202440 Ga\n0.797560 0.797559 0.797562 Ga\n",
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{
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"created_at": "2022-09-04T14:36:49.899877Z",
"updated_at": "2022-09-04T14:36:49.899891Z",
"structure_string": "Mg2 H6 Ru1\n1.0\n3.311097 3.311097 0.000000\n-0.000000 3.311097 3.311097\n3.311097 0.000000 3.311097\nMg H Ru\n2 6 1\ndirect\n0.750001 0.750001 0.750001 Mg\n0.250000 0.250000 0.250000 Mg\n0.254383 0.745618 0.745618 H\n0.254383 0.254383 0.745618 H\n0.254383 0.745618 0.254383 H\n0.745618 0.254383 0.254383 H\n0.745618 0.745618 0.254383 H\n0.745618 0.254383 0.745618 H\n0.000000 0.000000 0.000000 Ru\n",
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{
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"created_at": "2022-09-04T14:38:43.910889Z",
"updated_at": "2022-09-04T14:38:43.910916Z",
"structure_string": "Sn2 H8 C4 F4\n1.0\n4.262258 -0.117672 0.404784\n1.931454 4.222130 0.203370\n0.010662 -0.082455 9.454008\nSn H C F\n2 8 4 4\ndirect\n0.799270 0.229715 0.889251 Sn\n0.065823 0.736088 0.385387 Sn\n0.538261 0.139624 0.143650 H\n0.326773 0.826204 0.130974 H\n0.056442 0.626331 0.113088 H\n0.808574 0.339514 0.161547 H\n0.163561 0.166667 0.641568 H\n0.701344 0.799236 0.633028 H\n0.142138 0.631177 0.659827 H\n0.722738 0.334688 0.614828 H\n0.922223 0.137717 0.662465 C\n0.794722 0.132669 0.115401 C\n0.070315 0.833161 0.159236 C\n0.942713 0.828150 0.612164 C\n0.254830 0.255832 0.382080 F\n0.264002 0.338152 0.887524 F\n0.610279 0.709958 0.892580 F\n0.601078 0.627613 0.387116 F\n",
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"formula_full": "Sn2 H8 C4 F4",
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{
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"created_at": "2022-09-04T14:36:46.217050Z",
"updated_at": "2022-09-04T14:36:46.217066Z",
"structure_string": "Rb1 Cr2 S4\n1.0\n7.843326 -0.066077 1.395399\n7.116808 3.297449 1.395399\n-0.344361 -0.074382 5.560061\nRb Cr S\n1 2 4\ndirect\n0.500001 0.500000 0.500000 Rb\n0.752629 0.752628 0.205417 Cr\n0.247372 0.247372 0.794582 Cr\n0.347833 0.347833 0.055691 S\n0.652168 0.652167 0.944309 S\n0.824728 0.824727 0.565646 S\n0.175273 0.175273 0.434354 S\n",
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{
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"updated_at": "2022-09-04T14:38:47.890960Z",
"structure_string": "Rb3 Y1 I6\n1.0\n7.796369 -0.000000 4.501236\n2.598790 7.350488 4.501236\n-0.000000 -0.000000 9.002472\nRb Y I\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Y\n0.764675 0.235325 0.235325 I\n0.235325 0.235325 0.764675 I\n0.235325 0.764676 0.764675 I\n0.235325 0.764676 0.235325 I\n0.764675 0.235325 0.764676 I\n0.764675 0.764676 0.235325 I\n",
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{
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"structure_string": "Rb2 Cu2 Cl6\n1.0\n6.105640 0.106654 -3.226239\n-2.171147 5.707568 -3.226239\n-0.072173 -0.106654 6.905233\nRb Cu Cl\n2 2 6\ndirect\n0.750000 0.750000 -0.000000 Rb\n0.250000 0.250000 -0.000000 Rb\n0.000000 0.500001 0.500000 Cu\n0.500000 -0.000000 0.500000 Cu\n0.275068 0.775069 0.050138 Cl\n0.775069 0.724931 0.500000 Cl\n0.224932 0.275069 0.500000 Cl\n0.724932 0.224932 0.949862 Cl\n0.750000 0.250000 0.500000 Cl\n0.250000 0.750000 0.500000 Cl\n",
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{
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"structure_string": "Rb1 F3\n1.0\n-2.029955 2.029955 4.028841\n2.029955 -2.029955 4.028841\n2.029955 2.029955 -4.028841\nRb F\n1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.750002 0.250000 0.500002 F\n0.250000 0.750002 0.500002 F\n0.500000 0.500000 0.000000 F\n",
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{
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