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{
"id": "jvasp-120315",
"created_at": "2022-09-04T14:38:47.634088Z",
"updated_at": "2022-09-04T14:38:47.634115Z",
"structure_string": "Mg2 Br2\n1.0\n4.313952 0.000000 0.000000\n0.000000 4.313952 -0.000000\n0.000000 0.000000 6.125398\nMg Br\n2 2\ndirect\n0.000000 0.000000 0.250086 Mg\n0.500000 0.500000 0.749915 Mg\n0.000000 0.000000 0.749866 Br\n0.500000 0.500000 0.250134 Br\n",
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{
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"structure_string": "Zn2 Cl6\n1.0\n8.996057 0.000000 0.000000\n-4.498029 7.790813 0.000000\n-0.000000 -0.000000 2.975034\nZn Cl\n2 6\ndirect\n0.666667 0.333333 0.749999 Zn\n0.333333 0.666666 0.250000 Zn\n0.573520 0.721633 0.749999 Cl\n0.851888 0.573520 0.250000 Cl\n0.426480 0.278367 0.250000 Cl\n0.148112 0.426479 0.749999 Cl\n0.278367 0.851887 0.749999 Cl\n0.721633 0.148112 0.250000 Cl\n",
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{
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"structure_string": "Sc1 Zn2 Pd1\n1.0\n0.000000 3.164963 3.164963\n3.164963 0.000000 3.164963\n3.164963 3.164963 0.000000\nSc Zn Pd\n1 2 1\ndirect\n0.749998 0.749998 0.749998 Sc\n0.000000 0.000000 0.000000 Zn\n0.500001 0.500001 0.500001 Zn\n0.250000 0.250000 0.250000 Pd\n",
"nsites": 4,
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"elements": [
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{
"id": "jvasp-8745",
"created_at": "2022-09-04T14:37:02.633602Z",
"updated_at": "2022-09-04T14:37:02.633626Z",
"structure_string": "Mg6 In3\n1.0\n4.136462 -7.164562 -0.000000\n4.136462 7.164562 0.000000\n-0.000000 -0.000000 3.507922\nMg In\n6 3\ndirect\n0.289667 0.289667 0.000000 Mg\n0.710332 -0.000000 0.000000 Mg\n-0.000000 0.710332 0.000000 Mg\n0.629154 0.629154 0.500000 Mg\n0.370846 -0.000000 0.500000 Mg\n-0.000000 0.370846 0.500000 Mg\n0.000000 0.000000 0.500000 In\n0.333333 0.666667 0.000000 In\n0.666667 0.333333 0.000000 In\n",
"nsites": 9,
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"elements": [
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"chemical_system": "In-Mg",
"density": 3.9155990103828717,
"density_atomic": 0.04328564580437477,
"volume": 207.9211210264626,
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"spacegroup": 189
},
{
"id": "jvasp-94414",
"created_at": "2022-09-04T14:36:02.176779Z",
"updated_at": "2022-09-04T14:36:02.176804Z",
"structure_string": "Ce1 Mg5\n1.0\n5.806108 0.000000 0.000000\n-2.903054 5.028237 -0.000000\n-0.000000 -0.000000 5.097505\nCe Mg\n1 5\ndirect\n0.000000 0.000000 0.500000 Ce\n0.610073 -0.000000 -0.000000 Mg\n0.389928 0.389927 0.000000 Mg\n0.000001 0.610073 0.000000 Mg\n0.666668 0.333333 0.500000 Mg\n0.333334 0.666667 0.500000 Mg\n",
"nsites": 6,
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"elements": [
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"volume": 148.81904381989597,
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"formula_full": "Ce1 Mg5",
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"spacegroup": 189
},
{
"id": "jvasp-94276",
"created_at": "2022-09-04T14:36:33.292371Z",
"updated_at": "2022-09-04T14:36:33.292389Z",
"structure_string": "Ce1 Mg5\n1.0\n5.804720 0.000000 -0.000000\n-2.902361 5.027036 0.000000\n-0.000000 0.000000 5.098252\nCe Mg\n1 5\ndirect\n0.000000 -0.000000 0.500000 Ce\n0.610274 -0.000000 0.000000 Mg\n0.389726 0.389726 -0.000000 Mg\n0.000000 0.610275 -0.000000 Mg\n0.666667 0.333333 0.500000 Mg\n0.333333 0.666668 0.500000 Mg\n",
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{
"id": "jvasp-18598",
"created_at": "2022-09-04T14:36:44.326685Z",
"updated_at": "2022-09-04T14:36:44.326698Z",
"structure_string": "Ba1 Au2\n1.0\n2.442982 -4.231368 0.000000\n2.442982 4.231368 0.000000\n-0.000000 0.000000 4.149966\nBa Au\n1 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.666667 0.333333 0.500000 Au\n0.333333 0.666667 0.500000 Au\n",
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"spacegroup": 191
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{
"id": "jvasp-25227",
"created_at": "2022-09-04T14:37:44.860547Z",
"updated_at": "2022-09-04T14:37:44.860572Z",
"structure_string": "Bi1\n1.0\n3.257319 -0.000000 -1.151637\n-1.628661 2.820921 -1.151637\n0.000000 -0.000000 3.454910\nBi\n1\ndirect\n0.000000 0.000000 0.000000 Bi\n",
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"formula_full": "Bi1",
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"spacegroup": 229
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{
"id": "jvasp-25228",
"created_at": "2022-09-04T14:37:50.353549Z",
"updated_at": "2022-09-04T14:37:50.353566Z",
"structure_string": "Bi1\n1.0\n3.856107 -0.000000 1.017919\n1.928054 2.821476 0.508960\n1.207920 -0.000000 3.236987\nBi\n1\ndirect\n0.000000 0.000000 0.000000 Bi\n",
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},
{
"id": "jvasp-99841",
"created_at": "2022-09-04T14:36:35.982264Z",
"updated_at": "2022-09-04T14:36:35.982291Z",
"structure_string": "Rb4 Mg2\n1.0\n9.357334 -0.067023 2.497730\n8.329384 4.264452 2.497730\n0.004679 0.001111 8.911990\nRb Mg\n4 2\ndirect\n0.880052 0.880053 0.565238 Rb\n0.119947 0.119947 0.434762 Rb\n0.841122 0.841123 0.098696 Rb\n0.158877 0.158877 0.901304 Rb\n0.497091 0.497092 0.822007 Mg\n0.502908 0.502909 0.177993 Mg\n",
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],
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"volume": 360.54490911458464,
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"spacegroup": 12
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{
"id": "jvasp-52256",
"created_at": "2022-09-04T14:38:32.417029Z",
"updated_at": "2022-09-04T14:38:32.417056Z",
"structure_string": "Yb4 Sb2 O1\n1.0\n-2.315324 2.315324 7.990160\n2.315324 -2.315324 7.990160\n2.315324 2.315324 -7.990160\nYb Sb O\n4 2 1\ndirect\n0.499999 0.000000 0.499999 Yb\n0.661213 0.661213 0.000000 Yb\n0.338787 0.338787 0.000000 Yb\n0.000000 0.499999 0.499999 Yb\n0.140054 0.140054 0.000000 Sb\n0.859946 0.859946 0.000000 Sb\n0.500000 0.500000 0.000000 O\n",
"nsites": 7,
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{
"id": "jvasp-113654",
"created_at": "2022-09-04T14:38:50.753106Z",
"updated_at": "2022-09-04T14:38:50.753134Z",
"structure_string": "K2 Ag2\n1.0\n6.509758 0.332582 -0.126080\n-1.475912 -4.387836 -0.698259\n-0.135384 0.812295 -4.787030\nK Ag\n2 2\ndirect\n0.127043 0.114472 0.831000 K\n0.546844 0.823905 0.330797 K\n0.714179 0.407463 0.830843 Ag\n-0.040298 0.530846 0.330993 Ag\n",
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