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{
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{
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{
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"structure_string": "Rb2 Ga1 Ag1 I6\n1.0\n7.101363 -0.000000 4.099974\n2.367121 6.695229 4.099974\n-0.000000 -0.000000 8.199948\nRb Ga Ag I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ag\n0.754269 0.245731 0.245731 I\n0.245731 0.245731 0.754269 I\n0.245731 0.754269 0.754269 I\n0.245731 0.754269 0.245730 I\n0.754269 0.245731 0.754269 I\n0.754269 0.754269 0.245730 I\n",
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"density_atomic": 0.025649668268904913,
"volume": 389.8685899233636,
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"formula_full": "Rb2 Ga1 Ag1 I6",
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{
"id": "jvasp-100388",
"created_at": "2022-09-04T14:36:58.163684Z",
"updated_at": "2022-09-04T14:36:58.163694Z",
"structure_string": "In1 Ga1 Ag2 Se4\n1.0\n5.523892 0.000161 -4.653176\n-1.195025 5.393079 -4.653176\n-0.000129 -0.000161 7.222563\nIn Ga Ag Se\n1 1 2 4\ndirect\n0.499999 0.500000 -0.000001 In\n0.749999 0.250000 0.499999 Ga\n0.249999 0.750000 0.499999 Ag\n0.000000 0.000000 0.000000 Ag\n0.104811 0.134475 0.501520 Se\n0.632954 0.603291 0.498478 Se\n0.396708 0.895189 0.029662 Se\n0.865524 0.367046 0.970335 Se\n",
"nsites": 8,
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"volume": 215.15894720609273,
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"formula_full": "In1 Ga1 Ag2 Se4",
"formula_reduced": "InGa(AgSe2)2",
"formula_anonymous": "ABC2D4",
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"spacegroup": 82
},
{
"id": "jvasp-107597",
"created_at": "2022-09-04T14:36:59.857690Z",
"updated_at": "2022-09-04T14:36:59.857717Z",
"structure_string": "Na2 Ga1 Ag1 I6\n1.0\n7.052909 -0.000000 4.071999\n2.350970 6.649546 4.071999\n-0.000000 -0.000000 8.143998\nNa Ga Ag I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ag\n0.754114 0.245886 0.245886 I\n0.245886 0.245886 0.754114 I\n0.245886 0.754114 0.754114 I\n0.245886 0.754114 0.245886 I\n0.754114 0.245886 0.754114 I\n0.754114 0.754114 0.245886 I\n",
"nsites": 10,
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"elements": [
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"volume": 381.94245340464755,
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"formula_full": "Na2 Ga1 Ag1 I6",
"formula_reduced": "Na2GaAgI6",
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"spacegroup": 225
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{
"id": "jvasp-111213",
"created_at": "2022-09-04T14:38:48.910425Z",
"updated_at": "2022-09-04T14:38:48.910458Z",
"structure_string": "K2 Ga1 Ag1 I6\n1.0\n7.078445 -0.000000 4.086742\n2.359482 6.673622 4.086742\n-0.000000 -0.000000 8.173485\nK Ga Ag I\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.499999 Ag\n0.754203 0.245798 0.245797 I\n0.245798 0.245798 0.754201 I\n0.245798 0.754202 0.754201 I\n0.245798 0.754202 0.245798 I\n0.754203 0.245798 0.754201 I\n0.754202 0.754202 0.245797 I\n",
"nsites": 10,
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"density_atomic": 0.025899612355560927,
"volume": 386.1061649385224,
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"formula_full": "K2 Ga1 Ag1 I6",
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{
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"created_at": "2022-09-04T14:37:03.464723Z",
"updated_at": "2022-09-04T14:37:03.464732Z",
"structure_string": "Ho2 Ga1 Ag1\n1.0\n4.377181 0.000000 2.527166\n1.459060 4.126845 2.527166\n0.000000 0.000000 5.054333\nHo Ga Ag\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ho\n0.749999 0.750001 0.750001 Ho\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500001 0.500000 Ag\n",
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{
"id": "jvasp-105166",
"created_at": "2022-09-04T14:36:59.879407Z",
"updated_at": "2022-09-04T14:36:59.879417Z",
"structure_string": "Ga3 Ag1\n1.0\n3.824421 -0.081849 -3.363045\n-0.835467 3.732946 -3.363045\n0.067005 0.081849 5.092325\nGa Ag\n3 1\ndirect\n0.750000 0.250000 0.500001 Ga\n0.250000 0.750001 0.500001 Ga\n0.500000 0.500000 0.000001 Ga\n0.000000 0.000000 0.000000 Ag\n",
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"elements": [
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},
{
"id": "jvasp-102929",
"created_at": "2022-09-04T14:36:43.593462Z",
"updated_at": "2022-09-04T14:36:43.593483Z",
"structure_string": "Ga1 Ag3\n1.0\n4.110417 -0.000000 0.000000\n-0.000000 4.110417 0.000000\n-0.000000 -0.000000 4.110417\nGa Ag\n1 3\ndirect\n0.000000 0.000000 0.000000 Ga\n0.500000 0.000000 0.500000 Ag\n0.000000 0.500000 0.500000 Ag\n0.500000 0.500000 0.000000 Ag\n",
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},
{
"id": "jvasp-16562",
"created_at": "2022-09-04T14:38:15.003190Z",
"updated_at": "2022-09-04T14:38:15.003209Z",
"structure_string": "Ga1 Ag1\n1.0\n3.307766 -0.000000 -0.000000\n0.000000 3.307766 -0.000000\n0.000000 0.000000 3.307766\nGa Ag\n1 1\ndirect\n0.500001 0.500001 0.500001 Ga\n0.000000 0.000000 0.000000 Ag\n",
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{
"id": "jvasp-111060",
"created_at": "2022-09-04T14:38:38.056425Z",
"updated_at": "2022-09-04T14:38:38.056458Z",
"structure_string": "Ga1 Ag3\n1.0\n2.951807 -0.000000 0.000000\n-1.475903 2.556340 0.000000\n0.000000 -0.000000 9.271961\nGa Ag\n1 3\ndirect\n0.666668 0.333333 -0.000000 Ga\n0.666668 0.333333 0.500000 Ag\n0.333334 0.666667 0.243899 Ag\n0.333334 0.666667 0.756100 Ag\n",
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{
"id": "jvasp-110785",
"created_at": "2022-09-04T14:38:36.953861Z",
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"structure_string": "Ga3 Ag1\n1.0\n4.111878 0.000000 2.373994\n1.370626 3.876715 2.373994\n0.000000 0.000000 4.747987\nGa Ag\n3 1\ndirect\n0.250000 0.250000 0.249999 Ga\n0.750001 0.750001 0.749998 Ga\n0.500001 0.500001 0.499999 Ga\n0.000000 0.000000 0.000000 Ag\n",
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}