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{
"id": "mp-1219742",
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"structure_string": "Pr2 Nd2 Sb2\n1.0\n-2.301947 2.301947 8.914009\n2.301947 -2.301947 8.914009\n2.301947 2.301947 -8.914009\nPr Nd Sb\n2 2 2\ndirect\n0.679351 0.679351 0.000000 Pr\n0.320649 0.320649 0.000000 Pr\n0.000000 0.500000 0.500000 Nd\n0.500000 0.000000 0.500000 Nd\n0.862916 0.862916 0.000000 Sb\n0.137084 0.137084 0.000000 Sb\n",
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{
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{
"id": "mp-1110823",
"created_at": "2022-09-04T14:43:58.671912Z",
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"volume": 468.39948210418015,
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"formula_full": "Rb2 Pr1 Ag1 I6",
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"formula_anonymous": "ABC2D6",
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},
{
"id": "mp-571339",
"created_at": "2022-09-04T14:42:18.321414Z",
"structure_string": "Ba1 Cr2 As2\n1.0\n-2.065104 2.065104 6.496691\n2.065104 -2.065104 6.496691\n2.065104 2.065104 -6.496691\nBa Cr As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.750000 0.250000 0.500000 Cr\n0.250000 0.750000 0.500000 Cr\n0.351788 0.351788 0.000000 As\n0.648212 0.648212 0.000000 As\n",
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"volume": 110.82457083384611,
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"formula_full": "Ba1 Cr2 As2",
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{
"id": "mp-1024983",
"created_at": "2022-09-04T14:42:28.506933Z",
"structure_string": "Er1 In1 Ni4\n1.0\n0.000000 3.508796 3.508796\n3.508796 0.000000 3.508796\n3.508796 3.508796 0.000000\nEr In Ni\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Er\n0.000000 0.000000 0.000000 In\n0.625838 0.625838 0.625838 Ni\n0.625838 0.625838 0.122486 Ni\n0.625838 0.122486 0.625838 Ni\n0.122486 0.625838 0.625838 Ni\n",
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"density_atomic": 0.06944594579263128,
"volume": 86.39813212302228,
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"formula_full": "Er1 In1 Ni4",
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"updated_at": "2021-11-28T01:35:49.948000Z",
"spacegroup": 216
},
{
"id": "mp-1227974",
"created_at": "2022-09-04T14:42:09.762610Z",
"structure_string": "Ba1 Bi2 Br2 O2\n1.0\n-2.023787 2.023787 15.900181\n2.023787 -2.023787 15.900181\n2.023787 2.023787 -15.900181\nBa Bi Br O\n1 2 2 2\ndirect\n0.598834 0.598834 0.000000 Ba\n0.421870 0.421870 0.000000 Bi\n0.000433 0.000433 0.000000 Bi\n0.148533 0.148533 0.000000 Br\n0.871244 0.871244 0.000000 Br\n0.460993 0.960993 0.500000 O\n0.960993 0.460993 0.500000 O\n",
"nsites": 7,
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"elements": [
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"O"
],
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"density": 4.762478538923237,
"density_atomic": 0.026872395137711242,
"volume": 260.4903643358751,
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"formula_full": "Ba1 Bi2 Br2 O2",
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"updated_at": "2021-11-28T01:35:40.760000Z",
"spacegroup": 107
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{
"id": "mp-1017456",
"created_at": "2022-09-04T14:46:41.468763Z",
"structure_string": "Sr2 Mg12 Si2\n1.0\n4.909018 0.000000 0.000000\n0.000000 6.051128 0.000000\n0.000000 0.000000 13.521838\nSr Mg Si\n2 12 2\ndirect\n0.500000 0.500000 0.197632 Sr\n0.500000 0.000000 0.697632 Sr\n0.500000 0.244684 0.436820 Mg\n0.500000 0.755316 0.436820 Mg\n0.000000 0.754562 0.075478 Mg\n0.000000 0.245438 0.075478 Mg\n0.000000 0.000000 0.299723 Mg\n0.000000 0.500000 0.362789 Mg\n0.500000 0.744684 0.936820 Mg\n0.500000 0.255316 0.936820 Mg\n0.000000 0.254562 0.575478 Mg\n0.000000 0.745438 0.575478 Mg\n0.000000 0.500000 0.799723 Mg\n0.000000 0.000000 0.862789 Mg\n0.500000 0.000000 0.115254 Si\n0.500000 0.500000 0.615254 Si\n",
"nsites": 16,
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"elements": [
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"density": 2.1624349269946466,
"density_atomic": 0.03983394229602445,
"volume": 401.6674995684986,
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"formula_full": "Sr2 Mg12 Si2",
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{
"id": "mp-975341",
"created_at": "2022-09-04T14:47:28.397850Z",
"structure_string": "La6 Mg2\n1.0\n3.666200 -6.350044 0.000000\n3.666200 6.350044 0.000000\n0.000000 0.000000 5.749830\nLa Mg\n6 2\ndirect\n0.175380 0.350761 0.250000 La\n0.175380 0.824620 0.250000 La\n0.649239 0.824620 0.250000 La\n0.350761 0.175380 0.750000 La\n0.824620 0.175380 0.750000 La\n0.824620 0.649239 0.750000 La\n0.666667 0.333333 0.250000 Mg\n0.333333 0.666667 0.750000 Mg\n",
"nsites": 8,
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"elements": [
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"density": 5.470926481387438,
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{
"id": "mp-1028219",
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"structure_string": "Mg14 Al1 Fe1\n1.0\n6.213127 0.011671 0.000000\n-3.096456 5.363218 0.000000\n0.000000 0.000000 10.057497\nMg Al Fe\n14 1 1\ndirect\n0.170307 0.335153 0.625000 Mg\n0.167142 0.833570 0.625000 Mg\n0.674782 0.335617 0.125000 Mg\n0.664181 0.333768 0.625000 Mg\n0.674782 0.839164 0.125000 Mg\n0.664181 0.830412 0.625000 Mg\n0.325498 0.156214 0.355422 Mg\n0.325498 0.156214 0.894578 Mg\n0.325498 0.669285 0.355422 Mg\n0.325498 0.669285 0.894578 Mg\n0.835631 0.167816 0.376509 Mg\n0.835631 0.167816 0.873491 Mg\n0.844520 0.672260 0.364088 Mg\n0.844520 0.672260 0.885912 Mg\n0.157795 0.328897 0.125000 Al\n0.164538 0.832269 0.125000 Fe\n",
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{
"id": "mp-1225121",
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"structure_string": "Eu1 Si2 Pd1 Au1\n1.0\n-2.175823 2.175823 5.034302\n2.175823 -2.175823 5.034302\n2.175823 2.175823 -5.034302\nEu Si Pd Au\n1 2 1 1\ndirect\n0.000000 0.000000 0.000000 Eu\n0.618159 0.618159 0.000000 Si\n0.381841 0.381841 0.000000 Si\n0.750000 0.250000 0.500000 Pd\n0.250000 0.750000 0.500000 Au\n",
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{
"id": "mp-1110824",
"created_at": "2022-09-04T14:40:05.085036Z",
"structure_string": "Rb2 Nd1 Ag1 I6\n1.0\n0.000000 6.145288 6.145288\n6.145288 0.000000 6.145288\n6.145288 6.145288 0.000000\nRb Nd Ag I\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 Nd\n0.000000 0.000000 0.000000 Ag\n0.752807 0.247193 0.247193 I\n0.247193 0.247193 0.752807 I\n0.247193 0.752807 0.752807 I\n0.247193 0.752807 0.247193 I\n0.752807 0.247193 0.752807 I\n0.752807 0.752807 0.247193 I\n",
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"formula_full": "Rb2 Nd1 Ag1 I6",
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{
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"structure_string": "Dy1 Th1 Tc2\n1.0\n0.000000 3.477907 3.477907\n3.477907 0.000000 3.477907\n3.477907 3.477907 0.000000\nDy Th Tc\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Dy\n0.000000 0.000000 0.000000 Th\n0.250000 0.250000 0.250000 Tc\n0.750000 0.750000 0.750000 Tc\n",
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]
}