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{
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"results": [
{
"id": "jvasp-22213",
"created_at": "2022-09-04T14:37:34.822694Z",
"updated_at": "2022-09-04T14:37:34.822728Z",
"structure_string": "Lu10 Sb2 Pd4\n1.0\n6.790613 -0.000000 -3.344818\n-1.647540 6.587719 -3.344818\n-0.024225 -0.031029 8.516343\nLu Sb Pd\n10 2 4\ndirect\n0.202517 0.011828 0.714345 Lu\n0.011829 0.511828 0.714345 Lu\n0.702517 0.202517 0.714345 Lu\n0.988171 0.488172 0.285654 Lu\n0.511829 0.702517 0.714345 Lu\n0.797483 0.988172 0.285654 Lu\n0.488172 0.297483 0.285655 Lu\n0.297483 0.797483 0.285655 Lu\n0.500000 0.500000 -0.000000 Lu\n0.000000 0.000000 0.000000 Lu\n0.250000 0.250000 0.500000 Sb\n0.750000 0.750000 0.499999 Sb\n0.361042 0.861042 -0.000000 Pd\n0.138958 0.361042 -0.000000 Pd\n0.638958 0.138958 -0.000000 Pd\n0.861042 0.638958 -0.000001 Pd\n",
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{
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"created_at": "2022-09-04T14:37:54.404522Z",
"updated_at": "2022-09-04T14:37:54.404541Z",
"structure_string": "Zr1 Cu2 Hg1\n1.0\n0.000000 3.203223 3.203223\n3.203223 -0.000000 3.203223\n3.203223 3.203223 -0.000000\nZr Cu Hg\n1 2 1\ndirect\n0.750000 0.750000 0.750000 Zr\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.250000 0.250000 0.250000 Hg\n",
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"volume": 65.7342206313561,
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"formula_full": "Zr1 Cu2 Hg1",
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"spacegroup": 225
},
{
"id": "jvasp-38882",
"created_at": "2022-09-04T14:37:56.435968Z",
"updated_at": "2022-09-04T14:37:56.435993Z",
"structure_string": "Ho1 Sb1 Pd2\n1.0\n-0.000000 3.396910 3.396910\n3.396910 -0.000000 3.396910\n3.396910 3.396910 0.000000\nHo Sb Pd\n1 1 2\ndirect\n0.250001 0.250001 0.250001 Ho\n0.750000 0.750000 0.750000 Sb\n0.000000 0.000000 0.000000 Pd\n0.499999 0.499999 0.499999 Pd\n",
"nsites": 4,
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"elements": [
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"Sb",
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],
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"density": 10.58105164012868,
"density_atomic": 0.05102439618696559,
"volume": 78.39387232223275,
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"formula_full": "Ho1 Sb1 Pd2",
"formula_reduced": "HoSbPd2",
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"spacegroup": 225
},
{
"id": "jvasp-49942",
"created_at": "2022-09-04T14:38:05.016566Z",
"updated_at": "2022-09-04T14:38:05.016601Z",
"structure_string": "Hf8 N8 O4\n1.0\n5.424987 -0.002009 0.000241\n2.680381 4.769544 -0.004217\n2.629906 1.433983 9.725389\nHf N O\n8 8 4\ndirect\n0.695548 0.686789 0.962619 Hf\n0.829375 0.816726 0.535829 Hf\n0.413576 0.441537 0.713921 Hf\n0.919638 0.953099 0.213474 Hf\n0.088706 0.067682 0.786387 Hf\n0.564576 0.579999 0.285019 Hf\n0.198052 0.168562 0.465083 Hf\n0.321636 0.309866 0.035881 Hf\n0.921934 0.326788 0.120236 N\n0.575459 0.173918 0.369090 N\n0.622097 0.918782 0.125339 N\n0.167771 0.868857 0.376473 N\n0.417133 0.829633 0.621423 N\n0.386668 0.074156 0.874213 N\n0.087091 0.676028 0.874392 N\n0.112289 0.425671 0.628040 N\n0.867973 0.561303 0.381515 O\n0.682257 0.374773 0.875310 O\n0.811204 0.126721 0.626842 O\n0.317032 0.619098 0.128912 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Hf",
"N",
"O"
],
"chemical_system": "Hf-N-O",
"density": 10.5808297043952,
"density_atomic": 0.07945185781325388,
"volume": 251.72476201888978,
"volume_molar": 7.5796097482762805,
"formula_full": "Hf8 N8 O4",
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"formula_anonymous": "AB2C2",
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"spacegroup": 1
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{
"id": "jvasp-80568",
"created_at": "2022-09-04T14:37:18.728620Z",
"updated_at": "2022-09-04T14:37:18.728643Z",
"structure_string": "Mn2 Ge1 W1\n1.0\n-8.430733 -0.000034 -4.867457\n-2.929996 -0.172682 -4.660042\n-3.705522 -2.366167 -3.316818\nMn Ge W\n2 1 1\ndirect\n0.749045 0.000002 -0.000001 Mn\n0.250955 0.000001 -0.000001 Mn\n0.000000 0.000000 0.000000 Ge\n0.500000 0.000001 -0.000001 W\n",
"nsites": 4,
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"elements": [
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"formula_full": "Mn2 Ge1 W1",
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{
"id": "jvasp-111062",
"created_at": "2022-09-04T14:38:39.068885Z",
"updated_at": "2022-09-04T14:38:39.068915Z",
"structure_string": "Er2 Co3 Cu1\n1.0\n4.359941 0.000000 2.476847\n-2.883509 4.102345 0.000000\n0.011939 0.008392 5.054765\nEr Co Cu\n2 3 1\ndirect\n0.505503 0.752752 0.741746 Er\n0.994498 0.997250 0.008254 Er\n0.250000 0.375000 0.375000 Co\n0.250000 0.875001 0.375000 Co\n0.750000 0.375000 0.375000 Co\n0.750000 0.375000 0.875000 Cu\n",
"nsites": 6,
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"formula_full": "Er2 Co3 Cu1",
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"spacegroup": 166
},
{
"id": "jvasp-41280",
"created_at": "2022-09-04T14:37:54.369214Z",
"updated_at": "2022-09-04T14:37:54.369235Z",
"structure_string": "Hf1 Mg1 Rh2\n1.0\n0.000000 3.177125 3.177125\n3.177125 0.000000 3.177125\n3.177125 3.177125 0.000000\nHf Mg Rh\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Hf\n0.750001 0.750001 0.750001 Mg\n0.000000 0.000000 0.000000 Rh\n0.500001 0.500001 0.500001 Rh\n",
"nsites": 4,
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"elements": [
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"Mg",
"Rh"
],
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"density": 10.578423154957271,
"density_atomic": 0.06236301305415092,
"volume": 64.14058276059767,
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"formula_full": "Hf1 Mg1 Rh2",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-15336",
"created_at": "2022-09-04T14:37:00.390796Z",
"updated_at": "2022-09-04T14:37:00.390823Z",
"structure_string": "U2 Sb4 Pd2\n1.0\n4.381691 0.000000 0.000000\n0.000000 4.381691 0.000000\n-0.000000 0.000000 9.614710\nU Sb Pd\n2 4 2\ndirect\n0.500000 0.000000 0.746266 U\n0.000000 0.500000 0.253734 U\n0.500000 0.000000 0.321018 Sb\n0.000000 0.500000 0.678982 Sb\n0.500000 0.500000 0.000000 Sb\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Pd\n0.000000 0.000000 0.500000 Pd\n",
"nsites": 8,
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"elements": [
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],
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"density": 10.57824864488688,
"density_atomic": 0.043338143410203575,
"volume": 184.59489425466418,
"volume_molar": 13.895705459736286,
"formula_full": "U2 Sb4 Pd2",
"formula_reduced": "USb2Pd",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.605388475,
"spacegroup": 129
},
{
"id": "jvasp-85916",
"created_at": "2022-09-04T14:35:57.054319Z",
"updated_at": "2022-09-04T14:35:57.054348Z",
"structure_string": "Ho2 Ni2 Pb1\n1.0\n3.634638 0.000000 0.000000\n0.000000 3.814873 -1.098306\n0.000000 0.062455 7.391408\nHo Ni Pb\n2 2 1\ndirect\n0.500000 0.640952 0.281903 Ho\n0.500000 0.359048 0.718097 Ho\n0.000000 0.200496 0.400991 Ni\n0.000000 0.799504 0.599009 Ni\n0.000000 0.000000 0.000000 Pb\n",
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"formula_anonymous": "AB2C2",
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"spacegroup": 65
},
{
"id": "jvasp-119574",
"created_at": "2022-09-04T14:38:53.123275Z",
"updated_at": "2022-09-04T14:38:53.123301Z",
"structure_string": "Dy3 Ga8 Ir3\n1.0\n7.859456 0.004438 -2.201204\n-0.806571 3.974499 -7.083019\n-0.012994 -0.004438 8.161873\nDy Ga Ir\n3 8 3\ndirect\n0.500000 0.500000 0.000001 Dy\n0.168961 0.168961 0.000000 Dy\n0.831040 0.831040 0.000001 Dy\n0.091236 0.375426 0.715810 Ga\n0.908765 0.624575 0.284191 Ga\n0.659617 0.375426 0.284191 Ga\n0.340384 0.624574 0.715810 Ga\n0.797743 0.169751 0.627993 Ga\n0.202258 0.830250 0.372008 Ga\n0.541759 0.169751 0.372008 Ga\n0.458242 0.830250 0.627992 Ga\n0.000000 0.500000 0.500000 Ir\n0.778683 -0.000000 0.778683 Ir\n0.221318 -0.000000 0.221318 Ir\n",
"nsites": 14,
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],
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"volume": 254.61669882346897,
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"formula_full": "Dy3 Ga8 Ir3",
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"formula_anonymous": "A3B3C8",
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},
{
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"created_at": "2022-09-04T14:37:11.793397Z",
"updated_at": "2022-09-04T14:37:11.793423Z",
"structure_string": "Ca1 Hg2 Pd1\n1.0\n-7.399341 -3.165298 -9.425490\n-4.531700 -2.212927 -1.723174\n-3.261850 1.460529 -3.952944\nCa Hg Pd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.750094 -0.000231 -0.000244 Hg\n0.249907 0.000230 0.000243 Hg\n0.500000 -0.000000 -0.000001 Pd\n",
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"formula_full": "Ca1 Hg2 Pd1",
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{
"id": "jvasp-40009",
"created_at": "2022-09-04T14:37:53.625023Z",
"updated_at": "2022-09-04T14:37:53.625047Z",
"structure_string": "V3 Os1\n1.0\n0.000000 2.997353 2.997353\n2.997353 0.000000 2.997353\n2.997353 2.997353 -0.000000\nV Os\n3 1\ndirect\n0.000000 0.000000 0.000000 V\n0.500001 0.500001 0.500001 V\n0.250000 0.250000 0.250000 V\n0.750000 0.750000 0.750000 Os\n",
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}