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{
"id": "jvasp-105451",
"created_at": "2022-09-04T14:36:51.464623Z",
"updated_at": "2022-09-04T14:36:51.464649Z",
"structure_string": "Mn4 As2 P2\n1.0\n3.322981 0.000000 0.000000\n0.000000 5.353403 0.000000\n-0.000000 0.000000 5.971463\nMn As P\n4 2 2\ndirect\n0.500000 0.494130 0.049958 Mn\n0.500000 0.994129 0.950041 Mn\n-0.000000 0.496547 0.437528 Mn\n-0.000000 0.996547 0.562472 Mn\n0.500000 0.306505 0.672876 As\n0.500000 0.806505 0.327124 As\n-0.000000 0.702818 0.832114 P\n-0.000000 0.202818 0.167886 P\n",
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{
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"created_at": "2022-09-04T14:37:13.117004Z",
"updated_at": "2022-09-04T14:37:13.117032Z",
"structure_string": "K4 Ge2 Se6\n1.0\n6.805341 -0.027681 -0.011089\n2.912238 6.790467 0.084532\n2.477297 1.305792 8.112244\nK Ge Se\n4 2 6\ndirect\n0.392323 0.796592 0.887834 K\n0.607678 0.203408 0.112166 K\n0.143365 0.465270 0.683832 K\n0.856636 0.534730 0.316167 K\n0.856868 0.059919 0.687131 Ge\n0.143133 0.940082 0.312868 Ge\n0.655298 0.391628 0.714231 Se\n0.344702 0.608374 0.285768 Se\n0.867225 0.810298 0.921002 Se\n0.132775 0.189703 0.078997 Se\n0.225840 0.044828 0.533633 Se\n0.774161 0.955172 0.466366 Se\n",
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"spacegroup": 2
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{
"id": "jvasp-105449",
"created_at": "2022-09-04T14:36:56.626831Z",
"updated_at": "2022-09-04T14:36:56.626849Z",
"structure_string": "Mn2 Cd1 Te3\n1.0\n4.072438 0.000000 0.000000\n-2.036219 3.526834 0.000000\n0.000000 -0.000000 10.506649\nMn Cd Te\n2 1 3\ndirect\n0.333333 0.666666 0.657677 Mn\n0.666667 0.333333 0.342323 Mn\n0.000000 0.000000 0.000000 Cd\n0.000000 0.000000 0.500000 Te\n0.333333 0.666666 0.194073 Te\n0.666667 0.333333 0.805927 Te\n",
"nsites": 6,
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"elements": [
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"Cd",
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],
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"density": 6.6582984893931405,
"density_atomic": 0.039760105348548354,
"volume": 150.9050327558818,
"volume_molar": 15.146189144138848,
"formula_full": "Mn2 Cd1 Te3",
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"formula_anonymous": "AB2C3",
"energy_above_hull": 1.70777125545977,
"spacegroup": 164
},
{
"id": "jvasp-105448",
"created_at": "2022-09-04T14:36:55.230961Z",
"updated_at": "2022-09-04T14:36:55.230980Z",
"structure_string": "Mn2 Cu1 Sb2 Pd1\n1.0\n4.172488 0.007779 6.317794\n1.903741 3.712881 6.317794\n0.012704 0.007779 7.571262\nMn Cu Sb Pd\n2 1 2 1\ndirect\n0.750157 0.750158 0.750158 Mn\n0.248860 0.248860 0.248860 Mn\n0.125249 0.125249 0.125249 Cu\n0.002799 0.002799 0.002799 Sb\n0.498346 0.498347 0.498346 Sb\n0.624587 0.624588 0.624587 Pd\n",
"nsites": 6,
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"elements": [
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"Cu",
"Sb",
"Pd"
],
"chemical_system": "Cu-Mn-Pd-Sb",
"density": 7.4423540203082315,
"density_atomic": 0.05138190675393,
"volume": 116.77262248624285,
"volume_molar": 11.720352825441594,
"formula_full": "Mn2 Cu1 Sb2 Pd1",
"formula_reduced": "Mn2CuSb2Pd",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 2.3919004721264367,
"spacegroup": 160
},
{
"id": "jvasp-105447",
"created_at": "2022-09-04T14:36:50.218218Z",
"updated_at": "2022-09-04T14:36:50.218238Z",
"structure_string": "Mn3 B4 Mo3\n1.0\n5.691348 0.012279 0.000000\n-0.091641 5.690623 0.000000\n0.000000 -0.000000 3.142733\nMn B Mo\n3 4 3\ndirect\n0.501050 0.995423 -0.000000 Mn\n0.995424 0.501049 -0.000000 Mn\n0.677921 0.677921 0.500000 Mn\n0.111860 0.111860 -0.000000 B\n0.875565 0.875564 -0.000000 B\n0.621095 0.399450 -0.000000 B\n0.399451 0.621095 -0.000000 B\n0.325069 0.325069 0.500000 Mo\n0.174852 0.817714 0.500000 Mo\n0.817715 0.174852 0.500000 Mo\n",
"nsites": 10,
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"elements": [
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],
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"density": 8.089590270433282,
"density_atomic": 0.09824319298956614,
"volume": 101.78822263097703,
"volume_molar": 6.129830043939614,
"formula_full": "Mn3 B4 Mo3",
"formula_reduced": "Mn3B4Mo3",
"formula_anonymous": "A3B3C4",
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"spacegroup": 38
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{
"id": "jvasp-105446",
"created_at": "2022-09-04T14:36:54.653992Z",
"updated_at": "2022-09-04T14:36:54.654005Z",
"structure_string": "Mn4 Hg3 Au1\n1.0\n3.315244 -0.000000 0.000000\n0.000000 4.615168 0.000000\n-0.000000 -0.000000 9.244378\nMn Hg Au\n4 3 1\ndirect\n0.499999 0.500000 0.134932 Mn\n0.499999 0.500000 0.614655 Mn\n0.499999 0.000000 0.375156 Mn\n0.499999 0.000000 0.875231 Mn\n-0.000000 0.500000 0.874824 Hg\n0.000000 0.000000 0.125619 Hg\n0.000000 0.000000 0.624752 Hg\n-0.000000 0.500000 0.374831 Au\n",
"nsites": 8,
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"elements": [
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"Hg",
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],
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"density": 11.95706597355637,
"density_atomic": 0.05655998416473192,
"volume": 141.44275530028196,
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"formula_full": "Mn4 Hg3 Au1",
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"formula_anonymous": "AB3C4",
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"spacegroup": 47
},
{
"id": "jvasp-105444",
"created_at": "2022-09-04T14:36:54.532142Z",
"updated_at": "2022-09-04T14:36:54.532157Z",
"structure_string": "Mn3 Co1 As2\n1.0\n3.603696 -0.000000 0.000000\n0.000000 3.603696 0.000000\n-0.000000 -0.000000 6.160190\nMn Co As\n3 1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500001 0.000000 0.658398 Mn\n-0.000000 0.500001 0.341603 Mn\n0.500001 0.500001 -0.000000 Co\n0.500001 0.000000 0.262317 As\n-0.000000 0.500001 0.737683 As\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"Co",
"As"
],
"chemical_system": "As-Co-Mn",
"density": 7.754513449871341,
"density_atomic": 0.07499992818861309,
"volume": 80.00007659888604,
"volume_molar": 8.029528701487896,
"formula_full": "Mn3 Co1 As2",
"formula_reduced": "Mn3CoAs2",
"formula_anonymous": "AB2C3",
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"spacegroup": 115
},
{
"id": "jvasp-105443",
"created_at": "2022-09-04T14:36:54.174432Z",
"updated_at": "2022-09-04T14:36:54.174449Z",
"structure_string": "Mn1 Al1 Pd2\n1.0\n2.974057 0.000000 0.000000\n0.000000 2.974057 0.000000\n0.000000 -0.000000 6.646472\nMn Al Pd\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Al\n0.500001 0.500001 0.235098 Pd\n0.500001 0.500001 0.764901 Pd\n",
"nsites": 4,
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"elements": [
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"Al",
"Pd"
],
"chemical_system": "Al-Mn-Pd",
"density": 8.32582496870421,
"density_atomic": 0.06804092923408024,
"volume": 58.78814479794738,
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"formula_full": "Mn1 Al1 Pd2",
"formula_reduced": "MnAlPd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.183935360344828,
"spacegroup": 123
},
{
"id": "jvasp-105442",
"created_at": "2022-09-04T14:36:52.920789Z",
"updated_at": "2022-09-04T14:36:52.920814Z",
"structure_string": "Mn1 V1 Co4 Si2\n1.0\n3.823839 -0.000799 5.757076\n1.737134 3.406481 5.757076\n-0.001304 -0.000799 6.911270\nMn V Co Si\n1 1 4 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.499999 0.500001 V\n0.624382 0.624381 0.624383 Co\n0.125413 0.125413 0.125413 Co\n0.874588 0.874586 0.874588 Co\n0.375619 0.375618 0.375619 Co\n0.250530 0.250529 0.250530 Si\n0.749471 0.749469 0.749471 Si\n",
"nsites": 8,
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"elements": [
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"Co",
"Si"
],
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"density": 7.333584764699667,
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"volume": 90.06983247593175,
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"formula_full": "Mn1 V1 Co4 Si2",
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"formula_anonymous": "ABC2D4",
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"spacegroup": 166
},
{
"id": "jvasp-10544",
"created_at": "2022-09-04T14:37:07.653547Z",
"updated_at": "2022-09-04T14:37:07.653566Z",
"structure_string": "K4 Na2 Ga2 As4\n1.0\n-6.604993 0.000582 -0.001334\n-0.000858 -6.696232 -0.002794\n3.301398 3.344788 7.445909\nK Na Ga As\n4 2 2 4\ndirect\n0.326865 0.586386 0.653724 K\n0.826878 0.067349 0.653736 K\n0.173122 0.932651 0.346265 K\n0.673135 0.413614 0.346277 K\n0.749994 0.000002 -0.000004 Na\n0.250006 -0.000001 0.000005 Na\n0.250000 0.500001 -0.000002 Ga\n0.750000 0.500000 0.000003 Ga\n0.596959 0.802048 0.193906 As\n0.403041 0.197953 0.806095 As\n0.903053 0.608158 0.806098 As\n0.096947 0.391842 0.193903 As\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "As-Ga-K-Na",
"density": 3.235556329266413,
"density_atomic": 0.036448610283415346,
"volume": 329.23065945974287,
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"formula_full": "K4 Na2 Ga2 As4",
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"formula_anonymous": "ABC2D2",
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"spacegroup": 72
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{
"id": "jvasp-105438",
"created_at": "2022-09-04T14:36:53.135778Z",
"updated_at": "2022-09-04T14:36:53.135804Z",
"structure_string": "Na2 Zn3 Ge1 As4\n1.0\n7.777750 -0.016633 3.551593\n6.681277 3.981735 3.551593\n0.015502 0.004251 7.130840\nNa Zn Ge As\n2 3 1 4\ndirect\n0.511249 0.511248 0.482297 Na\n0.001182 0.001182 0.000206 Na\n0.800907 0.800906 0.522776 Zn\n0.663228 0.663227 0.993386 Zn\n0.181776 0.181776 0.506801 Zn\n0.317782 0.317782 0.016764 Ge\n0.624788 0.624787 0.704784 As\n0.149948 0.149948 0.191652 As\n0.369956 0.369955 0.300847 As\n0.873302 0.873301 0.780483 As\n",
"nsites": 10,
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],
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"density": 4.6093072500619865,
"density_atomic": 0.04516909563968668,
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{
"id": "jvasp-105437",
"created_at": "2022-09-04T14:36:52.944650Z",
"updated_at": "2022-09-04T14:36:52.944667Z",
"structure_string": "Na1 Ce2 Se3\n1.0\n5.459351 -0.007493 -4.977477\n-0.540057 4.009694 -6.181467\n0.008254 0.007493 7.387809\nNa Ce Se\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.664941 0.664941 -0.000001 Ce\n0.335058 0.335059 -0.000001 Ce\n0.500000 -0.000000 0.500000 Se\n0.168640 0.668640 0.499998 Se\n0.831358 0.331358 0.499999 Se\n",
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],
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}
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}