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{
"id": "jvasp-80193",
"created_at": "2022-09-04T14:37:17.508090Z",
"updated_at": "2022-09-04T14:37:17.508103Z",
"structure_string": "Ca2 Mg1 Al1\n1.0\n-16.604613 1.737177 -6.749324\n-10.056560 0.122917 -1.258528\n-8.801888 3.671910 -3.431803\nCa Mg Al\n2 1 1\ndirect\n0.488856 0.174131 0.174132 Ca\n0.511143 0.825869 0.825871 Ca\n0.000000 0.000000 0.000000 Mg\n0.499999 0.000000 0.000001 Al\n",
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{
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"structure_string": "Tl8 Sn2 Te6\n1.0\n7.770927 -0.000000 -4.356392\n-2.442198 7.377194 -4.356392\n0.019108 0.026452 9.143166\nTl Sn Te\n8 2 6\ndirect\n0.986223 0.486222 0.680694 Tl\n0.013777 0.513777 0.319306 Tl\n0.194471 0.986222 0.680694 Tl\n0.486223 0.694471 0.680694 Tl\n0.805529 0.013777 0.319307 Tl\n0.513778 0.305528 0.319306 Tl\n0.305528 0.805528 0.319306 Tl\n0.694472 0.194471 0.680694 Tl\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.000000 Sn\n0.335104 0.835103 -0.000000 Te\n0.835104 0.664896 0.000000 Te\n0.164896 0.335104 -0.000000 Te\n0.750000 0.749999 0.500000 Te\n0.250000 0.250000 0.500000 Te\n0.664896 0.164896 0.000000 Te\n",
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{
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"created_at": "2022-09-04T14:35:55.604365Z",
"updated_at": "2022-09-04T14:35:55.604392Z",
"structure_string": "Yb4 Mg2\n1.0\n3.708238 0.000000 0.000000\n-1.854119 2.340288 5.655269\n0.000000 -6.644521 6.669875\nYb Mg\n4 2\ndirect\n0.022358 0.044715 0.936027 Yb\n0.699865 0.399730 0.119526 Yb\n0.369879 0.739759 0.321532 Yb\n0.352343 0.704686 0.734023 Yb\n0.054524 0.109049 0.442991 Mg\n0.667697 0.335394 0.612565 Mg\n",
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},
{
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"created_at": "2022-09-04T14:38:00.692968Z",
"updated_at": "2022-09-04T14:38:00.692999Z",
"structure_string": "Ba4 Br4 Cl4\n1.0\n4.943100 0.000000 0.000000\n0.000000 7.972055 0.000000\n0.000000 0.000000 10.009760\nBa Br Cl\n4 4 4\ndirect\n0.750000 0.769794 0.105958 Ba\n0.250000 0.230207 0.894042 Ba\n0.750000 0.269794 0.394042 Ba\n0.250000 0.730207 0.605958 Ba\n0.750000 0.856712 0.419914 Br\n0.250000 0.143288 0.580086 Br\n0.750000 0.356712 0.080086 Br\n0.250000 0.643289 0.919914 Br\n0.750000 -0.016349 0.838262 Cl\n0.250000 0.016349 0.161738 Cl\n0.750000 0.483652 0.661738 Cl\n0.250000 0.516349 0.338262 Cl\n",
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"elements": [
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"volume": 394.4512597560881,
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"formula_full": "Ba4 Br4 Cl4",
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"spacegroup": 62
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{
"id": "jvasp-3762",
"created_at": "2022-09-04T14:35:42.651640Z",
"updated_at": "2022-09-04T14:35:42.651664Z",
"structure_string": "K2 Pd1 Br4\n1.0\n7.373936 0.000000 0.000000\n0.000000 7.373936 0.000000\n0.000000 0.000000 4.230938\nK Pd Br\n2 1 4\ndirect\n0.500000 0.000000 0.500000 K\n0.000000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Pd\n0.762620 0.762620 0.000000 Br\n0.237381 0.237381 0.000000 Br\n0.237381 0.762620 0.000000 Br\n0.762620 0.237381 0.000000 Br\n",
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"volume": 230.05696660510597,
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"formula_full": "K2 Pd1 Br4",
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{
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"created_at": "2022-09-04T14:38:15.703760Z",
"updated_at": "2022-09-04T14:38:15.703801Z",
"structure_string": "Sb1 I3 Br2 Cl6\n1.0\n7.146852 -0.032621 0.857734\n1.059731 7.154389 0.286108\n-0.003664 0.053322 7.707742\nSb I Br Cl\n1 3 2 6\ndirect\n0.000000 0.500000 0.500000 Sb\n0.336375 0.771364 0.825302 I\n0.000000 0.000000 0.000000 I\n0.663625 0.228636 0.174697 I\n0.513408 0.747676 0.093491 Br\n0.486593 0.252324 0.906509 Br\n0.840421 0.218313 0.500056 Cl\n0.903117 0.526845 0.805713 Cl\n0.159579 0.781687 0.499943 Cl\n0.288695 0.298892 0.557616 Cl\n0.711305 0.701108 0.442384 Cl\n0.096884 0.473155 0.194286 Cl\n",
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"formula_full": "Sb1 I3 Br2 Cl6",
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{
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"created_at": "2022-09-04T14:37:03.758742Z",
"updated_at": "2022-09-04T14:37:03.758762Z",
"structure_string": "Cd2 I2 Br2\n1.0\n-2.084250 -3.610027 -0.000000\n2.084250 -3.610027 -0.000000\n-0.000000 -2.406685 13.102090\nCd I Br\n2 2 2\ndirect\n0.711667 0.711667 0.865003 Cd\n0.212137 0.212137 0.363592 Cd\n0.000168 0.000168 0.999498 I\n0.833989 0.833989 0.498035 I\n0.584583 0.584583 0.246253 Br\n0.417461 0.417461 0.747618 Br\n",
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"formula_full": "Cd2 I2 Br2",
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"spacegroup": 160
},
{
"id": "jvasp-115695",
"created_at": "2022-09-04T14:38:47.459881Z",
"updated_at": "2022-09-04T14:38:47.459916Z",
"structure_string": "In1 Sn1 Br1\n1.0\n3.362059 0.000000 0.000000\n0.000000 3.362059 0.000000\n0.000000 0.000000 8.721433\nIn Sn Br\n1 1 1\ndirect\n0.000000 0.000000 0.007408 In\n0.000000 0.000000 0.636663 Sn\n0.000000 0.000000 0.329502 Br\n",
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{
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"created_at": "2022-09-04T14:36:40.280648Z",
"updated_at": "2022-09-04T14:36:40.280682Z",
"structure_string": "Ce1 Nd3\n1.0\n5.084357 0.000000 0.000000\n0.000000 5.084357 0.000000\n0.000000 0.000000 5.084357\nCe Nd\n1 3\ndirect\n0.000000 0.000000 0.000000 Ce\n0.000000 0.500000 0.500000 Nd\n0.500000 0.000000 0.500000 Nd\n0.500000 0.500000 0.000000 Nd\n",
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{
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"created_at": "2022-09-04T14:36:11.270616Z",
"updated_at": "2022-09-04T14:36:11.270632Z",
"structure_string": "Ba1 Ge1 Bi2\n1.0\n4.289128 0.000000 0.000000\n0.000000 4.288175 0.000000\n0.000000 0.000000 7.145261\nBa Ge Bi\n1 1 2\ndirect\n0.500000 0.500001 0.749843 Ba\n0.000000 0.000000 0.443028 Ge\n0.000000 0.000000 0.038578 Bi\n0.500000 0.500001 0.268550 Bi\n",
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{
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"created_at": "2022-09-04T14:38:10.067374Z",
"updated_at": "2022-09-04T14:38:10.067402Z",
"structure_string": "La1 Y3\n1.0\n5.083992 -0.000000 0.000000\n0.000000 5.083992 0.000000\n-0.000000 -0.000000 5.083992\nLa Y\n1 3\ndirect\n0.000000 0.000000 0.000000 La\n-0.000000 0.500000 0.500000 Y\n0.500000 0.000000 0.500000 Y\n0.500000 0.500000 -0.000000 Y\n",
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{
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"created_at": "2022-09-04T14:36:11.138089Z",
"updated_at": "2022-09-04T14:36:11.138115Z",
"structure_string": "Rb4 Mn2 Se4\n1.0\n6.099670 0.000000 -2.577445\n-1.330325 6.374009 -3.148289\n-0.031771 0.054387 8.431142\nRb Mn Se\n4 2 4\ndirect\n0.646992 0.811957 0.293985 Rb\n0.353009 0.188044 0.706016 Rb\n0.853009 0.517974 0.706016 Rb\n0.146992 0.482027 0.293985 Rb\n0.750000 -0.000000 0.000000 Mn\n0.250000 -0.000000 0.000000 Mn\n0.602283 0.291100 0.204566 Se\n0.897717 0.086534 0.795435 Se\n0.102284 0.913466 0.204566 Se\n0.397718 0.708900 0.795434 Se\n",
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