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{
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"results": [
{
"id": "jvasp-109750",
"created_at": "2022-09-04T14:38:20.588579Z",
"updated_at": "2022-09-04T14:38:20.588604Z",
"structure_string": "Ga1 Cu1 Sn1 Se4\n1.0\n5.140667 0.028221 -4.604878\n-1.007641 5.041023 -4.604878\n-0.023009 -0.028221 6.901509\nGa Cu Sn Se\n1 1 1 4\ndirect\n0.750000 0.250000 0.500000 Ga\n0.250000 0.750000 0.500000 Cu\n0.500000 0.500000 -0.000000 Sn\n0.653507 0.655881 0.556700 Se\n0.099181 0.096805 0.443299 Se\n0.903195 0.346493 0.002375 Se\n0.344119 0.900819 0.997625 Se\n",
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{
"id": "jvasp-87922",
"created_at": "2022-09-04T14:36:13.614956Z",
"updated_at": "2022-09-04T14:36:13.614983Z",
"structure_string": "Sr4 In2 Pt4\n1.0\n5.898054 0.045677 1.213688\n2.822536 5.179036 1.213688\n0.050517 0.030267 8.360393\nSr In Pt\n4 2 4\ndirect\n0.496993 0.208014 0.647162 Sr\n0.791986 0.503008 0.852838 Sr\n0.503006 0.791988 0.352838 Sr\n0.208013 0.496994 0.147162 Sr\n0.141628 0.858373 0.750000 In\n0.858371 0.141629 0.250000 In\n0.723211 0.000251 0.001705 Pt\n0.999749 0.276789 0.498296 Pt\n0.276789 0.999751 0.998295 Pt\n0.000251 0.723213 0.501704 Pt\n",
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"spacegroup": 15
},
{
"id": "jvasp-263",
"created_at": "2022-09-04T14:37:42.986606Z",
"updated_at": "2022-09-04T14:37:42.986627Z",
"structure_string": "Te2 Pd1\n1.0\n2.045730 -3.543308 0.000000\n2.045730 3.543308 0.000000\n0.000000 0.000000 5.253501\nTe Pd\n2 1\ndirect\n0.333333 0.666667 0.735409 Te\n0.666667 0.333333 0.264591 Te\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 3,
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"elements": [
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],
"chemical_system": "Pd-Te",
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"density_atomic": 0.03938993108788842,
"volume": 76.16159554344682,
"volume_molar": 15.288528295627517,
"formula_full": "Te2 Pd1",
"formula_reduced": "Te2Pd",
"formula_anonymous": "AB2",
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"spacegroup": 164
},
{
"id": "jvasp-19830",
"created_at": "2022-09-04T14:36:52.787984Z",
"updated_at": "2022-09-04T14:36:52.788003Z",
"structure_string": "Te2 Pd1\n1.0\n2.045730 -3.543308 0.000000\n2.045730 3.543308 -0.000000\n0.000000 0.000000 5.253501\nTe Pd\n2 1\ndirect\n0.333333 0.666667 0.735409 Te\n0.666667 0.333333 0.264591 Te\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 3,
"nelements": 2,
"elements": [
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"Pd"
],
"chemical_system": "Pd-Te",
"density": 7.884342928731612,
"density_atomic": 0.03938993108788842,
"volume": 76.16159554344682,
"volume_molar": 15.288528295627517,
"formula_full": "Te2 Pd1",
"formula_reduced": "Te2Pd",
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"spacegroup": 164
},
{
"id": "jvasp-118748",
"created_at": "2022-09-04T14:38:53.633549Z",
"updated_at": "2022-09-04T14:38:53.633577Z",
"structure_string": "N2 Cl1\n1.0\n4.195051 0.000000 0.000000\n0.000000 6.897198 0.000000\n0.000000 0.000000 2.632190\nN Cl\n2 1\ndirect\n0.131981 0.939999 0.000000 N\n0.868019 0.939999 0.000000 N\n0.000000 0.440002 0.000000 Cl\n",
"nsites": 3,
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"elements": [
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],
"chemical_system": "Cl-N",
"density": 1.3837759827417477,
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"volume": 76.1600417487017,
"volume_molar": 15.288216389938608,
"formula_full": "N2 Cl1",
"formula_reduced": "N2Cl",
"formula_anonymous": "AB2",
"energy_above_hull": 3.1724135224999994,
"spacegroup": 47
},
{
"id": "jvasp-15312",
"created_at": "2022-09-04T14:36:17.659543Z",
"updated_at": "2022-09-04T14:36:17.659572Z",
"structure_string": "Tb2 Zr2 Sb2\n1.0\n4.146184 0.000000 -1.041530\n-0.261635 4.137921 -1.041530\n0.023086 0.024591 8.865351\nTb Zr Sb\n2 2 2\ndirect\n0.676737 0.676736 0.353473 Tb\n0.323264 0.323263 0.646527 Tb\n0.000001 0.500000 0.000000 Zr\n0.500000 0.000000 -0.000000 Zr\n0.133352 0.133352 0.266704 Sb\n0.866649 0.866648 0.733296 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"Zr",
"Sb"
],
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"density": 8.109301873877294,
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"volume": 152.3115095513233,
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"formula_full": "Tb2 Zr2 Sb2",
"formula_reduced": "TbZrSb",
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"spacegroup": 139
},
{
"id": "jvasp-29499",
"created_at": "2022-09-04T14:37:53.446089Z",
"updated_at": "2022-09-04T14:37:53.446106Z",
"structure_string": "Cd2 Bi2 S4 Br2\n1.0\n4.058357 -0.000000 0.000000\n-2.029178 6.541732 -0.148550\n0.000000 -0.041374 9.562708\nCd Bi S Br\n2 2 4 2\ndirect\n0.000000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.279031 0.558062 0.698607 Bi\n0.720970 0.441939 0.301394 Bi\n0.355630 0.711259 0.444774 S\n0.918481 0.836962 0.745438 S\n0.644371 0.288742 0.555227 S\n0.081519 0.163038 0.254562 S\n0.359340 0.718679 0.071206 Br\n0.640661 0.281321 0.928794 Br\n",
"nsites": 10,
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"elements": [
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"Bi",
"S",
"Br"
],
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"density": 6.089027762142555,
"density_atomic": 0.03939297499431948,
"volume": 253.8523683840079,
"volume_molar": 15.287346946678692,
"formula_full": "Cd2 Bi2 S4 Br2",
"formula_reduced": "CdBiS2Br",
"formula_anonymous": "ABCD2",
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"spacegroup": 12
},
{
"id": "jvasp-14511",
"created_at": "2022-09-04T14:38:09.519811Z",
"updated_at": "2022-09-04T14:38:09.519832Z",
"structure_string": "La1 S1\n1.0\n3.599475 -0.000000 2.078157\n1.199825 3.393617 2.078157\n0.000000 0.000000 4.156316\nLa S\n1 1\ndirect\n0.000000 0.000000 0.000000 La\n0.500001 0.500000 0.500000 S\n",
"nsites": 2,
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"elements": [
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"volume": 50.770395589965844,
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"formula_full": "La1 S1",
"formula_reduced": "LaS",
"formula_anonymous": "AB",
"energy_above_hull": 0.1043374999999997,
"spacegroup": 225
},
{
"id": "jvasp-52151",
"created_at": "2022-09-04T14:37:19.956393Z",
"updated_at": "2022-09-04T14:37:19.956416Z",
"structure_string": "Ce4 Cd2 Se8\n1.0\n7.730375 0.162968 -0.000000\n-2.423143 7.342589 -0.000000\n-2.653615 -3.752778 6.217734\nCe Cd Se\n4 2 8\ndirect\n0.113977 0.750000 0.863977 Ce\n0.250000 0.613978 0.363978 Ce\n0.386021 0.250000 0.636022 Ce\n0.750000 0.886022 0.136022 Ce\n0.625000 0.375000 0.250000 Cd\n0.874999 0.125000 0.749999 Cd\n0.007441 0.876248 0.510578 Se\n0.996862 0.365670 0.489422 Se\n0.492558 0.003136 0.868806 Se\n0.123752 0.134330 0.131193 Se\n0.376248 0.507441 0.010578 Se\n0.634329 0.623752 0.631193 Se\n0.503137 0.992559 0.368806 Se\n0.865669 0.496863 0.989421 Se\n",
"nsites": 14,
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"Se"
],
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"density": 6.6208784571395185,
"density_atomic": 0.03939445749053579,
"volume": 355.37994154033953,
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"formula_full": "Ce4 Cd2 Se8",
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"formula_anonymous": "AB2C4",
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"spacegroup": 122
},
{
"id": "jvasp-17432",
"created_at": "2022-09-04T14:38:14.758273Z",
"updated_at": "2022-09-04T14:38:14.758295Z",
"structure_string": "Cu2 Sn1 Hg1 Se4\n1.0\n5.390379 0.000000 -2.450882\n-1.114360 5.273934 -2.450882\n-0.002946 -0.003632 7.146662\nCu Sn Hg Se\n2 1 1 4\ndirect\n0.250000 0.750000 0.500000 Cu\n0.750000 0.250000 0.500000 Cu\n0.500000 0.500000 0.000000 Sn\n0.000000 0.000000 0.000000 Hg\n0.399225 0.399225 0.285162 Se\n0.885937 0.885936 0.285162 Se\n0.114063 0.600775 0.714838 Se\n0.600774 0.114064 0.714838 Se\n",
"nsites": 8,
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"elements": [
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],
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"density": 6.23281533273297,
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"volume": 203.0729207017367,
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"formula_full": "Cu2 Sn1 Hg1 Se4",
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"formula_anonymous": "ABC2D4",
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"spacegroup": 121
},
{
"id": "jvasp-100299",
"created_at": "2022-09-04T14:36:38.728720Z",
"updated_at": "2022-09-04T14:36:38.728748Z",
"structure_string": "Tb1 Bi1 Pd1\n1.0\n4.120187 0.000000 2.378791\n1.373396 3.884550 2.378791\n0.000000 0.000000 4.757583\nTb Bi Pd\n1 1 1\ndirect\n0.500001 0.500000 0.499999 Tb\n0.000000 0.000000 0.000000 Bi\n0.250000 0.250000 0.250000 Pd\n",
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"density_atomic": 0.03939827776501625,
"volume": 76.14546041562897,
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"formula_full": "Tb1 Bi1 Pd1",
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"formula_anonymous": "ABC",
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"spacegroup": 216
},
{
"id": "jvasp-88679",
"created_at": "2022-09-04T14:35:59.218080Z",
"updated_at": "2022-09-04T14:35:59.218112Z",
"structure_string": "Au4 Cl8\n1.0\n6.443764 0.130723 2.071744\n0.581389 6.674062 0.320643\n0.035978 0.118373 7.107896\nAu Cl\n4 8\ndirect\n0.735962 0.516637 0.468667 Au\n0.264038 0.483361 0.531332 Au\n0.638002 0.234164 0.088519 Au\n0.361998 0.765835 0.911480 Au\n0.851619 0.219356 0.298989 Cl\n0.148381 0.780643 0.701010 Cl\n0.343142 0.181190 0.371985 Cl\n0.656858 0.818808 0.628014 Cl\n0.427020 0.258417 0.885503 Cl\n0.572980 0.741582 0.114496 Cl\n0.925031 0.287692 0.817321 Cl\n0.074968 0.712307 0.182679 Cl\n",
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"formula_full": "Au4 Cl8",
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"spacegroup": 2
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}