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{
"id": "mp-1187092",
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{
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{
"id": "mp-1025668",
"created_at": "2022-09-04T14:40:17.406063Z",
"structure_string": "Te2 Mo2 W1 Se4\n1.0\n1.699192 -2.943086 0.000000\n1.699192 2.943086 0.000000\n0.000000 0.000000 31.413867\nTe Mo W Se\n2 2 1 4\ndirect\n0.333333 0.666667 0.056041 Te\n0.333333 0.666667 0.175282 Te\n0.000000 0.000000 0.115646 Mo\n0.333333 0.666667 0.346997 Mo\n0.000000 0.000000 0.578299 W\n0.000000 0.000000 0.399483 Se\n0.333333 0.666667 0.525635 Se\n0.333333 0.666667 0.630961 Se\n0.000000 0.000000 0.294497 Se\n",
"nsites": 9,
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"formula_full": "Te2 Mo2 W1 Se4",
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"spacegroup": 156
},
{
"id": "mp-989550",
"created_at": "2022-09-04T14:39:22.062461Z",
"structure_string": "Rb2 Tl1 In1 Cl6\n1.0\n0.000000 5.588696 5.588696\n5.588696 0.000000 5.588696\n5.588696 5.588696 0.000000\nRb Tl In Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 In\n0.771982 0.228018 0.228018 Cl\n0.228018 0.228018 0.771982 Cl\n0.228018 0.771982 0.771982 Cl\n0.228018 0.771982 0.228018 Cl\n0.771982 0.228018 0.771982 Cl\n0.771982 0.771982 0.228018 Cl\n",
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"formula_full": "Rb2 Tl1 In1 Cl6",
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{
"id": "mp-38605",
"created_at": "2022-09-04T14:41:04.682579Z",
"structure_string": "Sn1 Bi2 Te4\n1.0\n14.153537 -2.237241 0.000000\n14.153537 2.237241 0.000000\n13.799898 0.000000 3.858844\nSn Bi Te\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Sn\n0.573238 0.573238 0.573238 Bi\n0.426762 0.426762 0.426762 Bi\n0.866284 0.866284 0.866284 Te\n0.711466 0.711466 0.711466 Te\n0.288534 0.288534 0.288534 Te\n0.133716 0.133716 0.133716 Te\n",
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"formula_full": "Sn1 Bi2 Te4",
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"spacegroup": 166
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{
"id": "mp-1025702",
"created_at": "2022-09-04T14:48:24.771997Z",
"structure_string": "Te2 Mo1 W2 Se4\n1.0\n1.698457 -2.941814 0.000000\n1.698457 2.941814 0.000000\n0.000000 0.000000 31.442024\nTe Mo W Se\n2 1 2 4\ndirect\n0.333333 0.666667 0.056076 Te\n0.333333 0.666667 0.175233 Te\n0.000000 0.000000 0.115644 Mo\n0.000000 0.000000 0.578310 W\n0.333333 0.666667 0.347000 W\n0.000000 0.000000 0.399699 Se\n0.333333 0.666667 0.525576 Se\n0.333333 0.666667 0.631043 Se\n0.000000 0.000000 0.294260 Se\n",
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"formula_full": "Te2 Mo1 W2 Se4",
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{
"id": "mp-1181742",
"created_at": "2022-09-04T14:41:17.574622Z",
"structure_string": "Cr2 I4\n1.0\n2.050596 -3.551736 0.000000\n2.050596 3.551736 0.000000\n0.000000 0.000000 14.380499\nCr I\n2 4\ndirect\n0.666667 0.333333 0.620580 Cr\n0.333333 0.666667 0.120580 Cr\n0.000000 0.000000 0.506901 I\n0.000000 0.000000 0.006901 I\n0.333333 0.666667 0.733519 I\n0.666667 0.333333 0.233519 I\n",
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"formula_full": "Cr2 I4",
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{
"id": "mp-571336",
"created_at": "2022-09-04T14:44:55.543728Z",
"structure_string": "La8 Pb6\n1.0\n-4.962274 4.962274 4.962274\n4.962274 -4.962274 4.962274\n4.962274 4.962274 -4.962274\nLa Pb\n8 6\ndirect\n0.500000 0.000000 0.357427 La\n0.500000 0.000000 0.857427 La\n0.642573 0.642573 0.642573 La\n0.000000 0.357427 0.500000 La\n0.142573 0.142573 0.142573 La\n0.857427 0.500000 0.000000 La\n0.000000 0.857427 0.500000 La\n0.357427 0.500000 0.000000 La\n0.125000 0.750000 0.875000 Pb\n0.875000 0.125000 0.750000 Pb\n0.625000 0.375000 0.250000 Pb\n0.375000 0.250000 0.625000 Pb\n0.750000 0.875000 0.125000 Pb\n0.250000 0.625000 0.375000 Pb\n",
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{
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"structure_string": "Ba12 In4 As12\n1.0\n4.679799 0.000000 0.000000\n0.000000 14.205310 0.000000\n0.000000 0.000000 14.705891\nBa In As\n12 4 12\ndirect\n0.250000 0.422610 0.107523 Ba\n0.250000 0.135557 0.003150 Ba\n0.250000 0.222338 0.297656 Ba\n0.750000 0.277662 0.797656 Ba\n0.750000 0.364443 0.503150 Ba\n0.250000 0.922610 0.392477 Ba\n0.750000 0.777662 0.702344 Ba\n0.750000 0.864443 0.996850 Ba\n0.250000 0.722338 0.202344 Ba\n0.750000 0.077390 0.607523 Ba\n0.750000 0.577390 0.892477 Ba\n0.250000 0.635557 0.496850 Ba\n0.750000 0.555225 0.296991 In\n0.750000 0.055225 0.203009 In\n0.250000 0.444775 0.703009 In\n0.250000 0.944775 0.796991 In\n0.750000 0.234185 0.127342 As\n0.750000 0.734185 0.372658 As\n0.750000 0.588503 0.115100 As\n0.250000 0.265815 0.627342 As\n0.250000 0.765815 0.872658 As\n0.750000 0.088503 0.384900 As\n0.250000 0.911497 0.615100 As\n0.250000 0.411497 0.884900 As\n0.750000 0.042312 0.850708 As\n0.250000 0.457688 0.350708 As\n0.250000 0.957688 0.149292 As\n0.750000 0.542312 0.649292 As\n",
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{
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"structure_string": "Rb1 Tl3\n1.0\n0.000000 4.117997 4.117997\n4.117997 0.000000 4.117997\n4.117997 4.117997 0.000000\nRb Tl\n1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.250000 0.250000 0.250000 Tl\n0.750000 0.750000 0.750000 Tl\n0.500000 0.500000 0.500000 Tl\n",
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{
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"created_at": "2022-09-04T14:42:06.448401Z",
"structure_string": "Te2 Mo2 W1 Se4\n1.0\n1.699242 -2.943173 0.000000\n1.699242 2.943173 0.000000\n0.000000 0.000000 31.418273\nTe Mo W Se\n2 2 1 4\ndirect\n0.000000 0.000000 0.406609 Te\n0.000000 0.000000 0.287339 Te\n0.000000 0.000000 0.115632 Mo\n0.333333 0.666667 0.347001 Mo\n0.000000 0.000000 0.578335 W\n0.333333 0.666667 0.063125 Se\n0.333333 0.666667 0.525648 Se\n0.333333 0.666667 0.168174 Se\n0.333333 0.666667 0.630977 Se\n",
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{
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"structure_string": "K2 Pt2 Br6 N2\n1.0\n2.299597 -9.308547 0.000000\n2.299597 9.308547 0.000000\n0.000000 0.000000 9.787549\nK Pt Br N\n2 2 6 2\ndirect\n0.500000 0.500000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.841928 0.158072 0.750000 Pt\n0.158072 0.841928 0.250000 Pt\n0.984240 0.015760 0.750000 Br\n0.015760 0.984240 0.250000 Br\n0.854431 0.145569 0.002446 Br\n0.145569 0.854431 0.997554 Br\n0.145569 0.854431 0.502446 Br\n0.854431 0.145569 0.497554 Br\n0.748320 0.251680 0.750000 N\n0.251680 0.748320 0.250000 N\n",
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}