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{
"id": "jvasp-105502",
"created_at": "2022-09-04T14:36:49.022647Z",
"updated_at": "2022-09-04T14:36:49.022670Z",
"structure_string": "Ga2 Cu1 Ag1 Se4\n1.0\n5.308217 0.014424 -4.552923\n-1.112758 5.190294 -4.552923\n-0.011627 -0.014424 6.993293\nGa Cu Ag Se\n2 1 1 4\ndirect\n0.750000 0.250000 0.500000 Ga\n0.500000 0.499999 -0.000000 Ga\n0.000000 0.000000 0.000000 Cu\n0.249999 0.750000 0.500000 Ag\n0.645941 0.620666 0.503632 Se\n0.117034 0.142309 0.496368 Se\n0.857690 0.354058 0.974723 Se\n0.379333 0.882965 0.025276 Se\n",
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{
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"structure_string": "Ga2 Ge2 Te4\n1.0\n4.148146 0.000000 0.000000\n-2.074073 3.592400 0.000000\n-0.000000 -0.000000 17.200362\nGa Ge Te\n2 2 4\ndirect\n0.333334 0.666667 0.331779 Ga\n0.666668 0.333333 0.668221 Ga\n0.666668 0.333333 0.824266 Ge\n0.333334 0.666667 0.175734 Ge\n0.333334 0.666667 0.908113 Te\n0.666668 0.333333 0.091887 Te\n0.666668 0.333333 0.407848 Te\n0.333334 0.666667 0.592152 Te\n",
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{
"id": "jvasp-105500",
"created_at": "2022-09-04T14:36:48.246104Z",
"updated_at": "2022-09-04T14:36:48.246141Z",
"structure_string": "Ga1 Co4\n1.0\n2.553608 -0.000341 9.778258\n1.255460 2.223676 9.778258\n-0.000583 -0.000341 10.106198\nGa Co\n1 4\ndirect\n0.000000 0.000000 0.000000 Ga\n0.597752 0.597753 0.597750 Co\n0.199967 0.199967 0.199966 Co\n0.800034 0.800035 0.800031 Co\n0.402249 0.402250 0.402248 Co\n",
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"elements": [
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"density": 8.83532408507274,
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"formula_full": "Ga1 Co4",
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"spacegroup": 166
},
{
"id": "jvasp-10550",
"created_at": "2022-09-04T14:37:08.319185Z",
"updated_at": "2022-09-04T14:37:08.319211Z",
"structure_string": "Rb6 B2 As4\n1.0\n6.536916 0.010376 1.759937\n-0.218245 6.533280 1.759937\n0.005040 0.005219 9.622857\nRb B As\n6 2 4\ndirect\n0.848640 0.151361 0.750000 Rb\n0.151361 0.848640 0.250000 Rb\n0.243827 0.349306 0.982671 Rb\n0.650696 0.756173 0.517330 Rb\n0.756174 0.650695 0.017329 Rb\n0.349306 0.243827 0.482671 Rb\n0.784861 0.215140 0.250000 B\n0.215140 0.784861 0.750000 B\n0.908136 0.347106 0.357289 As\n0.652895 0.091865 0.142711 As\n0.347106 0.908136 0.857290 As\n0.091865 0.652895 0.642711 As\n",
"nsites": 12,
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"elements": [
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],
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"density": 3.37109212466193,
"density_atomic": 0.029206312936137267,
"volume": 410.87007546071584,
"volume_molar": 20.619311904135436,
"formula_full": "Rb6 B2 As4",
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"formula_anonymous": "AB2C3",
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"spacegroup": 15
},
{
"id": "jvasp-105499",
"created_at": "2022-09-04T14:36:48.416367Z",
"updated_at": "2022-09-04T14:36:48.416383Z",
"structure_string": "Ga2 Se3\n1.0\n5.138706 -0.013461 -4.404291\n-0.462826 3.675641 -5.663895\n-0.049799 0.013461 6.767688\nGa Se\n2 3\ndirect\n0.330117 0.340076 0.990041 Ga\n0.649965 0.659924 0.990041 Ga\n0.613925 0.843719 0.770206 Se\n0.926488 0.156280 0.770207 Se\n0.229506 0.500000 0.729505 Se\n",
"nsites": 5,
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"elements": [
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],
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"density": 4.905230781347372,
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"volume": 127.39543818276017,
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"formula_full": "Ga2 Se3",
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},
{
"id": "jvasp-105498",
"created_at": "2022-09-04T14:36:42.057914Z",
"updated_at": "2022-09-04T14:36:42.057937Z",
"structure_string": "Ga1 Ni2 Pt1\n1.0\n3.711309 -0.000000 0.000000\n0.000000 3.711309 0.000000\n-0.000000 -0.000000 3.716974\nGa Ni Pt\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ga\n0.500000 0.000000 0.499999 Ni\n-0.000000 0.500000 0.499999 Ni\n0.500000 0.500000 -0.000000 Pt\n",
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"volume": 51.19691035309204,
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"formula_full": "Ga1 Ni2 Pt1",
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"spacegroup": 123
},
{
"id": "jvasp-105495",
"created_at": "2022-09-04T14:38:44.558034Z",
"updated_at": "2022-09-04T14:38:44.558064Z",
"structure_string": "Hf1 Nb2 V1 C4\n1.0\n3.125264 -0.001451 9.956011\n1.524716 2.728097 9.956011\n-0.002474 -0.001451 10.435009\nHf Nb V C\n1 2 1 4\ndirect\n0.003133 0.003134 0.003133 Hf\n0.496872 0.496872 0.496871 Nb\n0.248821 0.248821 0.248820 Nb\n0.751578 0.751579 0.751576 V\n0.873097 0.873098 0.873095 C\n0.624904 0.624905 0.624903 C\n0.380147 0.380147 0.380146 C\n0.121450 0.121450 0.121449 C\n",
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"V",
"C"
],
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"density": 8.635878616235791,
"density_atomic": 0.08980432413755442,
"volume": 89.08257009702895,
"volume_molar": 6.705847204835939,
"formula_full": "Hf1 Nb2 V1 C4",
"formula_reduced": "HfNb2VC4",
"formula_anonymous": "ABC2D4",
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"spacegroup": 160
},
{
"id": "jvasp-105494",
"created_at": "2022-09-04T14:36:47.348544Z",
"updated_at": "2022-09-04T14:36:47.348570Z",
"structure_string": "Hf1 Zn2 Ga1\n1.0\n3.985813 0.000000 0.000000\n0.000000 3.985813 0.000000\n0.000000 -0.000000 4.124740\nHf Zn Ga\n1 2 1\ndirect\n0.500000 0.500000 -0.000000 Hf\n0.500000 0.000000 0.500000 Zn\n-0.000000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
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],
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"density": 9.604912477738138,
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"volume": 65.52852869937666,
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"formula_full": "Hf1 Zn2 Ga1",
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},
{
"id": "jvasp-105493",
"created_at": "2022-09-04T14:36:45.643760Z",
"updated_at": "2022-09-04T14:36:45.643772Z",
"structure_string": "In1 Ag2 Bi1 Se4\n1.0\n6.914846 -0.009776 1.204753\n5.707750 3.903432 1.204753\n0.000157 0.000048 7.100575\nIn Ag Bi Se\n1 2 1 4\ndirect\n0.500001 0.499999 -0.000000 In\n0.254815 0.254814 0.750428 Ag\n0.745187 0.745185 0.249572 Ag\n0.000000 0.000000 0.500000 Bi\n0.126431 0.126430 0.112726 Se\n0.631053 0.631051 0.632876 Se\n0.873571 0.873568 0.887274 Se\n0.368949 0.368947 0.367124 Se\n",
"nsites": 8,
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],
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"density": 7.395845909479685,
"density_atomic": 0.04165549429003383,
"volume": 192.05149611954113,
"volume_molar": 14.457014285005881,
"formula_full": "In1 Ag2 Bi1 Se4",
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},
{
"id": "jvasp-105491",
"created_at": "2022-09-04T14:36:46.200400Z",
"updated_at": "2022-09-04T14:36:46.200421Z",
"structure_string": "Ho2 In3 Cu1\n1.0\n4.683901 -0.000000 0.000000\n-2.341950 4.056378 0.000000\n-0.000000 -0.000000 7.416807\nHo In Cu\n2 3 1\ndirect\n0.333333 0.666667 0.722228 Ho\n0.333333 0.666667 0.263290 Ho\n0.666667 0.333334 0.481823 In\n0.666667 0.333334 0.054155 In\n0.000000 0.000000 0.932367 In\n0.000000 0.000000 0.546138 Cu\n",
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"elements": [
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{
"id": "jvasp-105490",
"created_at": "2022-09-04T14:37:14.740884Z",
"updated_at": "2022-09-04T14:37:14.740905Z",
"structure_string": "In2 Bi1\n1.0\n7.232376 -0.239650 1.907918\n6.527981 3.242602 1.647865\n-0.042653 0.210860 3.555784\nIn Bi\n2 1\ndirect\n0.332066 0.332065 0.667934 In\n0.667935 0.667934 0.332066 In\n0.000000 0.000000 0.000000 Bi\n",
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},
{
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"created_at": "2022-09-04T14:37:13.832733Z",
"updated_at": "2022-09-04T14:37:13.832766Z",
"structure_string": "Ba6 B2 P2 O6\n1.0\n2.778755 -4.812945 -0.000000\n2.778755 4.812945 0.000000\n0.000000 -0.000000 13.543918\nBa B P O\n6 2 2 6\ndirect\n0.333334 0.666668 0.597325 Ba\n0.000000 0.000000 0.750000 Ba\n0.000000 0.000000 0.250000 Ba\n0.666668 0.333334 0.097325 Ba\n0.666668 0.333334 0.402676 Ba\n0.333334 0.666668 0.902676 Ba\n0.666668 0.333334 0.750000 B\n0.333334 0.666668 0.250000 B\n0.000000 0.000000 0.000000 P\n0.000000 0.000000 0.500000 P\n0.478271 0.521731 0.250000 O\n0.521731 0.043462 0.750000 O\n0.521731 0.478271 0.750000 O\n0.043462 0.521731 0.250000 O\n0.478271 0.956540 0.250000 O\n0.956540 0.478271 0.750000 O\n",
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