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{
"id": "jvasp-85744",
"created_at": "2022-09-04T14:36:04.940409Z",
"updated_at": "2022-09-04T14:36:04.940432Z",
"structure_string": "Np4 In2 Rh4\n1.0\n3.623658 0.000077 0.000109\n0.000079 7.594458 -0.000080\n0.000111 -0.000080 7.594571\nNp In Rh\n4 2 4\ndirect\n0.499978 0.837904 0.337911 Np\n0.500023 0.162095 0.662089 Np\n0.499992 0.662092 0.837914 Np\n0.500009 0.337907 0.162087 Np\n0.000000 -0.000001 0.000000 In\n0.000000 0.500001 0.500001 In\n-0.000004 0.640633 0.140630 Rh\n-0.000001 0.859370 0.640625 Rh\n0.000004 0.359367 0.859373 Rh\n0.000001 0.140636 0.359368 Rh\n",
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{
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"structure_string": "Ce1 Si2 Rh2\n1.0\n3.840511 -0.000000 -1.431765\n-0.533770 3.803237 -1.431765\n-0.016336 -0.018788 5.822882\nCe Si Rh\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.621606 0.621606 0.243210 Si\n0.378393 0.378394 0.756788 Si\n0.250000 0.750000 0.499999 Rh\n0.749999 0.250000 0.499999 Rh\n",
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{
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"updated_at": "2022-09-04T14:35:55.203123Z",
"structure_string": "Ba1 Mn2 Bi2\n1.0\n4.599884 0.000000 -0.000000\n0.000000 4.599884 -0.000000\n-2.299943 -2.299943 6.842013\nBa Mn Bi\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.250000 0.750000 0.500000 Mn\n0.750000 0.250000 0.500000 Mn\n0.631079 0.631079 0.262159 Bi\n0.368921 0.368921 0.737840 Bi\n",
"nsites": 5,
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"elements": [
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"volume": 144.76969337579254,
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"formula_full": "Ba1 Mn2 Bi2",
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"formula_anonymous": "AB2C2",
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},
{
"id": "jvasp-3102",
"created_at": "2022-09-04T14:35:54.895928Z",
"updated_at": "2022-09-04T14:35:54.895946Z",
"structure_string": "K2 C1 N2\n1.0\n3.932310 0.005444 0.929309\n-0.157169 3.929171 0.929309\n-0.017140 -0.017863 5.770450\nK C N\n2 1 2\ndirect\n0.675871 0.675871 0.710972 K\n0.324129 0.324129 0.289029 K\n0.000000 0.000000 0.000000 C\n0.839492 0.839491 0.203629 N\n0.160508 0.160508 0.796372 N\n",
"nsites": 5,
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"elements": [
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"formula_full": "K2 C1 N2",
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"spacegroup": 12
},
{
"id": "jvasp-92522",
"created_at": "2022-09-04T14:36:04.573446Z",
"updated_at": "2022-09-04T14:36:04.573473Z",
"structure_string": "Ho2 In1 Ni2\n1.0\n0.000000 0.000000 -3.625700\n-3.887830 -0.000000 0.000000\n1.943916 7.095792 0.000000\nHo In Ni\n2 1 2\ndirect\n0.500000 0.638578 0.277159 Ho\n0.500000 0.361420 0.722841 Ho\n0.000000 0.000000 0.000000 In\n0.000000 0.801737 0.603477 Ni\n0.000000 0.198261 0.396522 Ni\n",
"nsites": 5,
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"elements": [
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"density": 9.331167175205652,
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"formula_full": "Ho2 In1 Ni2",
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{
"id": "jvasp-15641",
"created_at": "2022-09-04T14:36:03.275040Z",
"updated_at": "2022-09-04T14:36:03.275071Z",
"structure_string": "Ho1 Mn2 Si2\n1.0\n3.668736 -0.000000 -1.283720\n-0.449184 3.641134 -1.283720\n-0.014627 -0.016542 5.842488\nHo Mn Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ho\n0.250001 0.749999 0.500000 Mn\n0.750001 0.250000 0.500000 Mn\n0.620096 0.620095 0.240190 Si\n0.379905 0.379905 0.759811 Si\n",
"nsites": 5,
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"formula_full": "Ho1 Mn2 Si2",
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"spacegroup": 139
},
{
"id": "jvasp-3924",
"created_at": "2022-09-04T14:35:49.262960Z",
"updated_at": "2022-09-04T14:35:49.262986Z",
"structure_string": "U1 O2 F2\n1.0\n3.861871 -0.049056 4.059897\n1.590238 3.519601 4.059896\n-0.077065 -0.049056 5.602755\nU O F\n1 2 2\ndirect\n0.000000 0.000000 0.000000 U\n0.117885 0.117885 0.117885 O\n0.882115 0.882113 0.882119 O\n0.336963 0.336963 0.336965 F\n0.663036 0.663035 0.663039 F\n",
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"elements": [
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"volume": 78.16006421710972,
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"formula_full": "U1 O2 F2",
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"spacegroup": 166
},
{
"id": "jvasp-92615",
"created_at": "2022-09-04T14:35:52.500928Z",
"updated_at": "2022-09-04T14:35:52.500963Z",
"structure_string": "K1 Co2 Se2\n1.0\n3.874668 -0.000000 0.000000\n-0.000000 3.874668 0.000000\n-1.937335 -1.937335 6.552659\nK Co Se\n1 2 2\ndirect\n0.000000 0.000000 0.000000 K\n0.250001 0.750001 0.500000 Co\n0.750001 0.250001 0.500000 Co\n0.647979 0.647979 0.295956 Se\n0.352023 0.352023 0.704044 Se\n",
"nsites": 5,
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],
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"density": 5.3151323461603,
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"formula_full": "K1 Co2 Se2",
"formula_reduced": "K(CoSe)2",
"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"id": "jvasp-91302",
"created_at": "2022-09-04T14:36:03.324477Z",
"updated_at": "2022-09-04T14:36:03.324503Z",
"structure_string": "Pr4 In2 Pd4\n1.0\n3.915877 -0.000000 0.000000\n-0.000000 7.891371 0.000000\n0.000000 -0.000000 7.891371\nPr In Pd\n4 2 4\ndirect\n0.500000 0.824437 0.324437 Pr\n0.500000 0.675563 0.824437 Pr\n0.500000 0.324437 0.175563 Pr\n0.500000 0.175563 0.675563 Pr\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.500000 In\n0.000000 0.126506 0.373494 Pd\n0.000000 0.373494 0.873494 Pd\n0.000000 0.626506 0.126506 Pd\n0.000000 0.873494 0.626506 Pd\n",
"nsites": 10,
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"elements": [
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],
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"density": 8.300415120545379,
"density_atomic": 0.041007758862964816,
"volume": 243.85629152319424,
"volume_molar": 14.685369127642705,
"formula_full": "Pr4 In2 Pd4",
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"formula_anonymous": "AB2C2",
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"spacegroup": 127
},
{
"id": "jvasp-68826",
"created_at": "2022-09-04T14:36:02.504326Z",
"updated_at": "2022-09-04T14:36:02.504346Z",
"structure_string": "Be2 Sb2 Rh1\n1.0\n-2.154305 2.154305 4.968470\n2.154305 -2.154305 4.968470\n2.154305 2.154305 -4.968470\nBe Sb Rh\n2 2 1\ndirect\n0.600491 0.600491 0.000000 Be\n0.399509 0.399509 0.000000 Be\n0.749999 0.250000 0.499999 Sb\n0.250000 0.749999 0.499999 Sb\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 5,
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"formula_full": "Be2 Sb2 Rh1",
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{
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"created_at": "2022-09-04T14:36:02.914618Z",
"updated_at": "2022-09-04T14:36:02.914643Z",
"structure_string": "Ba1 P2 Ru2\n1.0\n3.878054 -0.000000 -1.228452\n-0.389137 3.858481 -1.228452\n0.002445 0.002705 6.743188\nBa P Ru\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.655608 0.655608 0.311219 P\n0.344391 0.344390 0.688781 P\n0.250000 0.749999 0.500000 Ru\n0.750000 0.249999 0.500000 Ru\n",
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"formula_full": "Ba1 P2 Ru2",
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{
"id": "jvasp-3501",
"created_at": "2022-09-04T14:35:51.475700Z",
"updated_at": "2022-09-04T14:35:51.475740Z",
"structure_string": "Na2 Pt1 O2\n1.0\n3.041988 0.000000 -0.892742\n-0.557716 4.142692 -1.900398\n-0.037511 -0.025160 5.501291\nNa Pt O\n2 1 2\ndirect\n0.675363 0.675380 0.350726 Na\n0.324636 0.324619 0.649274 Na\n0.000000 0.000000 0.000000 Pt\n0.359869 0.859832 0.719740 O\n0.640130 0.140168 0.280259 O\n",
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