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{
"id": "jvasp-92354",
"created_at": "2022-09-04T14:35:49.761737Z",
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{
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"structure_string": "Ba1 Mg2 As2\n1.0\n-2.247775 -3.893277 -0.000033\n-2.247782 3.893279 -0.000001\n-0.000059 -0.000032 -7.757320\nBa Mg As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333336 0.666668 0.623592 Mg\n0.666665 0.333332 0.376408 Mg\n0.333330 0.666665 0.273234 As\n0.666671 0.333336 0.726766 As\n",
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{
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"structure_string": "Be1 V2 Pd2\n1.0\n-1.601485 1.601485 6.953310\n1.601485 -1.601485 6.953310\n1.601485 1.601485 -6.953310\nBe V Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Be\n0.749999 0.250000 0.499999 V\n0.250000 0.749999 0.499999 V\n0.594177 0.594177 0.000000 Pd\n0.405823 0.405823 0.000000 Pd\n",
"nsites": 5,
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"elements": [
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"volume": 71.33412425093219,
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"formula_full": "Be1 V2 Pd2",
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"spacegroup": 139
},
{
"id": "jvasp-92530",
"created_at": "2022-09-04T14:35:51.957275Z",
"updated_at": "2022-09-04T14:35:51.957284Z",
"structure_string": "Sr2 Ge2 Pb1\n1.0\n-4.065531 -0.000000 0.000000\n0.000000 0.000000 -4.640084\n2.032766 -7.736111 0.000000\nSr Ge Pb\n2 2 1\ndirect\n0.368609 0.500000 0.737219 Sr\n0.631390 0.500000 0.262780 Sr\n0.200635 0.000000 0.401270 Ge\n0.799364 0.000000 0.598730 Ge\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 5,
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"elements": [
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],
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"density": 6.0046381208121336,
"density_atomic": 0.03426132796643006,
"volume": 145.9371336948498,
"volume_molar": 17.577079224426488,
"formula_full": "Sr2 Ge2 Pb1",
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"spacegroup": 65
},
{
"id": "jvasp-92736",
"created_at": "2022-09-04T14:35:48.337095Z",
"updated_at": "2022-09-04T14:35:48.337125Z",
"structure_string": "Sr1 Sb2 Ru2\n1.0\n4.486911 0.000000 -0.000000\n0.000000 4.486911 -0.000000\n-2.243456 -2.243456 5.731617\nSr Sb Ru\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.635900 0.635900 0.271802 Sb\n0.364099 0.364099 0.728198 Sb\n0.250000 0.749999 0.500000 Ru\n0.749999 0.250000 0.500000 Ru\n",
"nsites": 5,
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"elements": [
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"density": 7.674186004647756,
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"volume": 115.39103598741788,
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"formula_full": "Sr1 Sb2 Ru2",
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},
{
"id": "jvasp-92380",
"created_at": "2022-09-04T14:35:56.709133Z",
"updated_at": "2022-09-04T14:35:56.709163Z",
"structure_string": "Dy1 Ni2 P2\n1.0\n3.634960 0.000000 -1.386196\n-0.528627 3.596316 -1.386196\n-0.006925 -0.008017 5.440837\nDy Ni P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Dy\n0.749999 0.250000 0.499999 Ni\n0.249999 0.750000 0.499999 Ni\n0.623387 0.623389 0.246777 P\n0.376609 0.376610 0.753222 P\n",
"nsites": 5,
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"elements": [
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"volume": 71.04435720554828,
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{
"id": "jvasp-18829",
"created_at": "2022-09-04T14:35:51.900469Z",
"updated_at": "2022-09-04T14:35:51.900486Z",
"structure_string": "Nd1 Si2 Ag2\n1.0\n3.998928 -0.000000 -1.465942\n-0.537391 3.962655 -1.465942\n-0.017997 -0.020602 6.138192\nNd Si Ag\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.609282 0.609283 0.218564 Si\n0.390718 0.390719 0.781436 Si\n0.250000 0.750001 0.500000 Ag\n0.750000 0.250001 0.500000 Ag\n",
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"formula_full": "Nd1 Si2 Ag2",
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},
{
"id": "jvasp-91336",
"created_at": "2022-09-04T14:35:47.417469Z",
"updated_at": "2022-09-04T14:35:47.417478Z",
"structure_string": "Ba4 Ge8 P8\n1.0\n7.714454 0.000000 0.000000\n0.000000 7.714454 0.000000\n0.000000 0.000000 8.598950\nBa Ge P\n4 8 8\ndirect\n0.000000 0.000000 0.998024 Ba\n0.500000 0.000000 0.026853 Ba\n0.000000 0.500000 0.526853 Ba\n0.000000 0.000000 0.498024 Ba\n0.500000 0.668626 0.365559 Ge\n0.668626 0.500000 0.865559 Ge\n0.331373 0.500000 0.865559 Ge\n0.500000 0.331373 0.365559 Ge\n0.500000 0.833599 0.615137 Ge\n0.166400 0.500000 0.115137 Ge\n0.833599 0.500000 0.115137 Ge\n0.500000 0.166400 0.615137 Ge\n0.247216 0.767075 0.756533 P\n0.767075 0.752783 0.256533 P\n0.232924 0.247216 0.256533 P\n0.752783 0.232924 0.756533 P\n0.767075 0.247216 0.256533 P\n0.232924 0.752783 0.256533 P\n0.752783 0.767075 0.756533 P\n0.247216 0.232924 0.756533 P\n",
"nsites": 20,
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"elements": [
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"Ge",
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],
"chemical_system": "Ba-Ge-P",
"density": 4.472097198937995,
"density_atomic": 0.039081766393688856,
"volume": 511.74759601525363,
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"formula_full": "Ba4 Ge8 P8",
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"spacegroup": 105
},
{
"id": "jvasp-15270",
"created_at": "2022-09-04T14:36:00.433944Z",
"updated_at": "2022-09-04T14:36:00.433972Z",
"structure_string": "Ce1 Si2 Pd2\n1.0\n3.923392 0.000000 -1.525543\n-0.593181 3.878291 -1.525543\n0.011436 0.013318 5.837273\nCe Si Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.617262 0.617262 0.234524 Si\n0.382738 0.382738 0.765477 Si\n0.750000 0.250000 0.500000 Pd\n0.250001 0.750000 0.500000 Pd\n",
"nsites": 5,
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"elements": [
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],
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"volume": 88.9796972973529,
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"formula_full": "Ce1 Si2 Pd2",
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{
"id": "jvasp-71624",
"created_at": "2022-09-04T14:35:57.029298Z",
"updated_at": "2022-09-04T14:35:57.029315Z",
"structure_string": "Ta2 Be2 Pb1\n1.0\n-1.483558 1.483558 9.260482\n1.483558 -1.483558 9.260482\n1.483558 1.483558 -9.260482\nTa Be Pb\n2 2 1\ndirect\n0.632794 0.632794 0.000000 Ta\n0.367205 0.367205 0.000000 Ta\n0.750001 0.250000 0.500001 Be\n0.250000 0.750001 0.500001 Be\n0.000000 0.000000 0.000000 Pb\n",
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{
"id": "jvasp-92604",
"created_at": "2022-09-04T14:35:59.763329Z",
"updated_at": "2022-09-04T14:35:59.763349Z",
"structure_string": "Y1 Fe2 Si2\n1.0\n3.969631 0.000000 -0.000000\n0.000000 3.969631 -0.000000\n-1.984816 -1.984816 4.771061\nY Fe Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.249999 0.749999 0.500000 Fe\n0.749999 0.249999 0.500000 Fe\n0.634827 0.634827 0.269654 Si\n0.365172 0.365172 0.730346 Si\n",
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"formula_full": "Y1 Fe2 Si2",
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{
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"created_at": "2022-09-04T14:35:49.357217Z",
"updated_at": "2022-09-04T14:35:49.357236Z",
"structure_string": "La1 Co2 B2\n1.0\n-1.801148 1.801148 5.131024\n1.801148 -1.801148 5.131024\n1.801148 1.801148 -5.131024\nLa Co B\n1 2 2\ndirect\n0.000000 0.000000 0.000000 La\n0.750000 0.250000 0.500001 Co\n0.250000 0.750000 0.500001 Co\n0.333256 0.333256 0.000000 B\n0.666743 0.666743 0.000000 B\n",
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