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{
"id": "jvasp-50253",
"created_at": "2022-09-04T14:36:33.449682Z",
"updated_at": "2022-09-04T14:36:33.449704Z",
"structure_string": "Tb2 Sb1 O2\n1.0\n-1.931987 1.931987 6.651223\n1.931987 -1.931987 6.651223\n1.931987 1.931987 -6.651223\nTb Sb O\n2 1 2\ndirect\n0.335457 0.335457 0.000000 Tb\n0.664542 0.664542 0.000000 Tb\n0.000000 0.000000 0.000000 Sb\n0.750001 0.250000 0.500001 O\n0.250000 0.750001 0.500001 O\n",
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{
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"structure_string": "Tm4 Mg2 Ni4\n1.0\n7.266870 -0.000000 0.000000\n0.000000 7.266870 -0.000000\n-0.000000 0.000000 3.631340\nTm Mg Ni\n4 2 4\ndirect\n0.669077 0.169077 0.500000 Tm\n0.330923 0.830923 0.500000 Tm\n0.169077 0.330923 0.500000 Tm\n0.830923 0.669077 0.500000 Tm\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.125126 0.625126 0.000000 Ni\n0.874874 0.374874 0.000000 Ni\n0.625126 0.874874 0.000000 Ni\n0.374874 0.125126 0.000000 Ni\n",
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{
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"created_at": "2022-09-04T14:36:34.951309Z",
"updated_at": "2022-09-04T14:36:34.951329Z",
"structure_string": "Yb1 Zn2 Si2\n1.0\n3.939256 -0.010110 -4.346031\n-0.593615 3.894286 -4.346031\n0.008708 0.010110 5.865633\nYb Zn Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.750001 0.250000 0.500001 Zn\n0.250001 0.750001 0.500002 Zn\n0.384357 0.384356 0.000001 Si\n0.615646 0.615645 0.000002 Si\n",
"nsites": 5,
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"elements": [
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"volume": 90.29399544402675,
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"formula_full": "Yb1 Zn2 Si2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"id": "jvasp-100445",
"created_at": "2022-09-04T14:36:40.543305Z",
"updated_at": "2022-09-04T14:36:40.543325Z",
"structure_string": "Sr2 Pd1 N2\n1.0\n3.675546 -0.000440 -1.039874\n-0.293752 3.663789 -1.039874\n0.005703 0.006178 7.035910\nSr Pd N\n2 1 2\ndirect\n0.149988 0.649989 0.799977 Sr\n0.850013 0.350012 0.200024 Sr\n0.500000 0.000000 0.500000 Pd\n0.648826 0.148826 0.797652 N\n0.351175 0.851175 0.202349 N\n",
"nsites": 5,
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"elements": [
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],
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"volume": 94.79487542591033,
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"formula_full": "Sr2 Pd1 N2",
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"spacegroup": 139
},
{
"id": "jvasp-8058",
"created_at": "2022-09-04T14:36:36.592212Z",
"updated_at": "2022-09-04T14:36:36.592245Z",
"structure_string": "Na2 Pt1 C2\n1.0\n2.246516 -3.891081 -0.000000\n2.246516 3.891081 -0.000000\n-0.000000 -0.000000 5.217270\nNa Pt C\n2 1 2\ndirect\n0.333334 0.666668 0.271689 Na\n0.666668 0.333334 0.728311 Na\n0.000000 0.000000 0.000000 Pt\n0.000000 0.000000 0.378467 C\n0.000000 0.000000 0.621533 C\n",
"nsites": 5,
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"volume": 91.21223464497832,
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"spacegroup": 164
},
{
"id": "jvasp-100775",
"created_at": "2022-09-04T14:36:33.406579Z",
"updated_at": "2022-09-04T14:36:33.406595Z",
"structure_string": "Nb4 B4 Mo2\n1.0\n6.137948 0.000000 0.000000\n0.000000 6.137948 0.000000\n0.000000 -0.000000 3.303322\nNb B Mo\n4 4 2\ndirect\n0.679925 0.179925 0.500000 Nb\n0.320075 0.820075 0.500000 Nb\n0.179925 0.320075 0.500000 Nb\n0.820075 0.679925 0.500000 Nb\n0.106907 0.606907 -0.000000 B\n0.893093 0.393093 -0.000000 B\n0.606907 0.893093 -0.000000 B\n0.393093 0.106907 -0.000000 B\n0.000000 0.000000 0.000000 Mo\n0.500000 0.500000 -0.000000 Mo\n",
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"elements": [
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"density": 8.095827006888948,
"density_atomic": 0.08035310818365897,
"volume": 124.45069302289482,
"volume_molar": 7.494595910634225,
"formula_full": "Nb4 B4 Mo2",
"formula_reduced": "Nb2B2Mo",
"formula_anonymous": "AB2C2",
"energy_above_hull": 5.400219973333333,
"spacegroup": 127
},
{
"id": "jvasp-99511",
"created_at": "2022-09-04T14:36:36.631213Z",
"updated_at": "2022-09-04T14:36:36.631235Z",
"structure_string": "Cr2 Ir2 C1\n1.0\n2.720102 0.001379 8.552477\n1.328441 2.373647 8.552477\n0.002350 0.001379 8.974620\nCr Ir C\n2 2 1\ndirect\n0.377035 0.377037 0.377037 Cr\n0.622962 0.622965 0.622964 Cr\n0.878500 0.878504 0.878503 Ir\n0.121497 0.121498 0.121498 Ir\n0.000000 0.000000 0.000000 C\n",
"nsites": 5,
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"elements": [
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"Ir",
"C"
],
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"density": 14.361011672576959,
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"volume": 57.864657571793664,
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"formula_full": "Cr2 Ir2 C1",
"formula_reduced": "Cr2Ir2C",
"formula_anonymous": "AB2C2",
"energy_above_hull": 5.2563154,
"spacegroup": 166
},
{
"id": "jvasp-2757",
"created_at": "2022-09-04T14:36:36.645471Z",
"updated_at": "2022-09-04T14:36:36.645497Z",
"structure_string": "Ba1 Mg2 P2\n1.0\n2.188279 -3.790210 0.000000\n2.188279 3.790210 0.000000\n0.000000 0.000000 7.607476\nBa Mg P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.666667 0.333333 0.376574 Mg\n0.333333 0.666667 0.623427 Mg\n0.666667 0.333333 0.723233 P\n0.333333 0.666667 0.276768 P\n",
"nsites": 5,
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"elements": [
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"Mg",
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],
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"density": 3.261834776800729,
"density_atomic": 0.0396217316264275,
"volume": 126.19337405902331,
"volume_molar": 15.199085231255419,
"formula_full": "Ba1 Mg2 P2",
"formula_reduced": "Ba(MgP)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.6402350140000002,
"spacegroup": 164
},
{
"id": "jvasp-100270",
"created_at": "2022-09-04T14:36:35.125697Z",
"updated_at": "2022-09-04T14:36:35.125725Z",
"structure_string": "Tb4 Co2 Si4\n1.0\n5.027824 0.000090 2.564525\n3.311862 3.782935 2.564525\n0.019499 0.008845 10.046327\nTb Co Si\n4 2 4\ndirect\n0.001834 0.001833 0.328238 Tb\n-0.001833 -0.001835 0.671762 Tb\n0.813689 0.813688 0.105000 Tb\n0.186312 0.186310 0.895000 Tb\n0.726637 0.726635 0.621536 Co\n0.273364 0.273362 0.378464 Co\n0.654853 0.654852 0.432729 Si\n0.345147 0.345146 0.567271 Si\n0.504891 0.504890 0.127164 Si\n0.495110 0.495107 0.872835 Si\n",
"nsites": 10,
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"elements": [
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],
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"density": 7.53409375212107,
"density_atomic": 0.0523973439427091,
"volume": 190.8493684514607,
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"formula_full": "Tb4 Co2 Si4",
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"spacegroup": 12
},
{
"id": "jvasp-4495",
"created_at": "2022-09-04T14:36:36.695842Z",
"updated_at": "2022-09-04T14:36:36.695868Z",
"structure_string": "Nb2 C1 S2\n1.0\n1.651434 -2.860368 -0.000000\n1.651434 2.860368 0.000000\n0.000000 0.000000 8.694201\nNb C S\n2 1 2\ndirect\n0.666666 0.333332 0.138268 Nb\n0.333332 0.666666 0.861732 Nb\n0.000000 0.000000 0.000000 C\n0.666666 0.333332 0.672856 S\n0.333332 0.666666 0.327144 S\n",
"nsites": 5,
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"elements": [
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},
{
"id": "jvasp-99882",
"created_at": "2022-09-04T14:36:36.715159Z",
"updated_at": "2022-09-04T14:36:36.715177Z",
"structure_string": "Er1 P2 Pd2\n1.0\n3.818429 -0.018383 -4.261613\n-0.572119 3.775371 -4.261613\n0.015884 0.018383 5.722019\nEr P Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Er\n0.389156 0.389156 0.000001 P\n0.610845 0.610845 0.000001 P\n0.750000 0.250000 0.500000 Pd\n0.249999 0.750000 0.500000 Pd\n",
"nsites": 5,
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"elements": [
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"volume": 83.02913214452403,
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"formula_full": "Er1 P2 Pd2",
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"spacegroup": 139
},
{
"id": "jvasp-99669",
"created_at": "2022-09-04T14:36:33.287098Z",
"updated_at": "2022-09-04T14:36:33.287126Z",
"structure_string": "Bi2 Te1 O2\n1.0\n6.725500 -0.007741 2.010234\n5.528679 3.829893 2.009694\n-0.000146 0.000467 4.019927\nBi Te O\n2 1 2\ndirect\n0.650028 0.656341 0.343658 Bi\n0.343659 0.349972 0.650028 Bi\n0.996808 0.003192 0.996809 Te\n0.246829 0.253170 0.246829 O\n0.746829 0.753171 0.746829 O\n",
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