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{
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{
"id": "jvasp-91643",
"created_at": "2022-09-04T14:36:16.479384Z",
"updated_at": "2022-09-04T14:36:16.479403Z",
"structure_string": "Nd2 Fe2 Ge4\n1.0\n0.000000 0.000000 -4.313790\n-4.319869 0.000000 0.000000\n2.159935 8.240025 0.000000\nNd Fe Ge\n2 2 4\ndirect\n0.750000 0.106580 0.213161 Nd\n0.250000 0.893421 0.786839 Nd\n0.750000 0.313260 0.626520 Fe\n0.250000 0.686741 0.373479 Fe\n0.750000 0.452938 0.905876 Ge\n0.250000 0.547063 0.094124 Ge\n0.750000 0.749852 0.499705 Ge\n0.250000 0.250149 0.500294 Ge\n",
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{
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"created_at": "2022-09-04T14:36:16.784520Z",
"updated_at": "2022-09-04T14:36:16.784544Z",
"structure_string": "Ce2 Te6\n1.0\n4.377101 0.000000 -0.736994\n0.000000 4.440344 0.000000\n-0.050992 0.000000 13.063734\nCe Te\n2 6\ndirect\n0.088870 0.749999 0.336007 Ce\n0.752864 0.250000 0.663993 Ce\n0.993085 0.250000 0.144398 Te\n0.493313 0.749999 0.144858 Te\n0.624903 0.250000 0.408080 Te\n0.848687 0.749999 0.855602 Te\n0.348456 0.250000 0.855142 Te\n0.216823 0.749999 0.591920 Te\n",
"nsites": 8,
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{
"id": "jvasp-94519",
"created_at": "2022-09-04T14:36:17.588300Z",
"updated_at": "2022-09-04T14:36:17.588325Z",
"structure_string": "Nd2 Ni2 Ge4\n1.0\n4.255978 -0.000000 -0.000000\n-0.000000 4.131761 -1.035847\n0.000000 -0.031117 8.634139\nNd Ni Ge\n2 2 4\ndirect\n0.250000 0.892138 0.784278 Nd\n0.750000 0.107861 0.215722 Nd\n0.250000 0.682177 0.364354 Ni\n0.750000 0.317822 0.635646 Ni\n0.250000 0.250464 0.500927 Ge\n0.250000 0.542784 0.085568 Ge\n0.750000 0.749535 0.499072 Ge\n0.750000 0.457215 0.914432 Ge\n",
"nsites": 8,
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"elements": [
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"density_atomic": 0.05273864373396846,
"volume": 151.69142460990662,
"volume_molar": 11.418838888572322,
"formula_full": "Nd2 Ni2 Ge4",
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"formula_anonymous": "ABC2",
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"spacegroup": 63
},
{
"id": "jvasp-15652",
"created_at": "2022-09-04T14:36:17.156894Z",
"updated_at": "2022-09-04T14:36:17.156921Z",
"structure_string": "Ce2 Mn2 Si4\n1.0\n4.006887 0.000000 -0.000000\n0.000000 3.961656 -0.931300\n-0.000000 -0.017503 8.817441\nCe Mn Si\n2 2 4\ndirect\n0.250000 0.895408 0.790813 Ce\n0.750001 0.104594 0.209187 Ce\n0.750001 0.750780 0.501559 Mn\n0.250000 0.249221 0.498441 Mn\n0.250000 0.679155 0.358307 Si\n0.750001 0.320847 0.641693 Si\n0.750001 0.463706 0.927408 Si\n0.250000 0.536296 0.072592 Si\n",
"nsites": 8,
"nelements": 3,
"elements": [
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"chemical_system": "Ce-Mn-Si",
"density": 5.963734673007312,
"density_atomic": 0.05718291290353455,
"volume": 139.90193212954546,
"volume_molar": 10.531364098501117,
"formula_full": "Ce2 Mn2 Si4",
"formula_reduced": "CeMnSi2",
"formula_anonymous": "ABC2",
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"spacegroup": 63
},
{
"id": "jvasp-86432",
"created_at": "2022-09-04T14:36:17.510132Z",
"updated_at": "2022-09-04T14:36:17.510153Z",
"structure_string": "Eu2 Tl4 Pd2\n1.0\n3.932713 0.000000 0.000000\n-1.966357 5.669662 0.000000\n0.000000 -0.000000 8.649134\nEu Tl Pd\n2 4 2\ndirect\n0.440526 0.881053 0.250000 Eu\n0.559472 0.118946 0.750000 Eu\n0.862867 0.725738 0.546727 Tl\n0.137131 0.274262 0.046728 Tl\n0.137131 0.274262 0.453272 Tl\n0.862867 0.725738 0.953272 Tl\n0.741660 0.483322 0.250000 Pd\n0.258338 0.516677 0.750000 Pd\n",
"nsites": 8,
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"elements": [
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"Tl",
"Pd"
],
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"density": 11.488965510033353,
"density_atomic": 0.04148278815135054,
"volume": 192.8510680336116,
"volume_molar": 14.51720346768432,
"formula_full": "Eu2 Tl4 Pd2",
"formula_reduced": "EuTl2Pd",
"formula_anonymous": "ABC2",
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"spacegroup": 63
},
{
"id": "jvasp-105894",
"created_at": "2022-09-04T14:36:17.457944Z",
"updated_at": "2022-09-04T14:36:17.457965Z",
"structure_string": "Ho2 P2 Ru4 C2\n1.0\n5.851797 -0.006116 0.000000\n-4.637831 3.568486 -0.000000\n0.000000 0.000000 7.052135\nHo P Ru C\n2 2 4 2\ndirect\n0.543218 0.456782 0.250000 Ho\n0.456783 0.543218 0.750000 Ho\n0.268125 0.731876 0.250000 P\n0.731876 0.268124 0.750000 P\n0.835081 0.164918 0.052798 Ru\n0.164919 0.835082 0.947203 Ru\n0.164919 0.835082 0.552798 Ru\n0.835081 0.164918 0.447203 Ru\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
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"elements": [
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"P",
"Ru",
"C"
],
"chemical_system": "C-Ho-P-Ru",
"density": 9.260137360994618,
"density_atomic": 0.06799804942174288,
"volume": 147.06304202900304,
"volume_molar": 8.856343396924522,
"formula_full": "Ho2 P2 Ru4 C2",
"formula_reduced": "HoPRu2C",
"formula_anonymous": "ABCD2",
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"spacegroup": 63
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{
"id": "jvasp-91790",
"created_at": "2022-09-04T14:36:17.480557Z",
"updated_at": "2022-09-04T14:36:17.480587Z",
"structure_string": "Sm2 Co2 Ge4\n1.0\n-0.000000 -0.000000 -4.213416\n-4.207436 -0.000000 -0.000000\n2.103719 8.287273 -0.000000\nSm Co Ge\n2 2 4\ndirect\n0.750001 0.108564 0.217127 Sm\n0.250000 0.891437 0.782872 Sm\n0.750001 0.317544 0.635086 Co\n0.250000 0.682457 0.364913 Co\n0.750001 0.454710 0.909421 Ge\n0.250000 0.545290 0.090579 Ge\n0.750001 0.749585 0.499169 Ge\n0.250000 0.250416 0.500830 Ge\n",
"nsites": 8,
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"elements": [
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"Co",
"Ge"
],
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"density": 8.01533151526052,
"density_atomic": 0.0544535856859048,
"volume": 146.914108579461,
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"formula_full": "Sm2 Co2 Ge4",
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"formula_anonymous": "ABC2",
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"spacegroup": 63
},
{
"id": "jvasp-93738",
"created_at": "2022-09-04T14:36:17.879014Z",
"updated_at": "2022-09-04T14:36:17.879043Z",
"structure_string": "Lu2 Sn4\n1.0\n-0.000000 0.000000 -4.316958\n-4.364956 0.000000 -0.000000\n2.182478 8.077804 0.000000\nLu Sn\n2 4\ndirect\n0.750000 0.098317 0.196635 Lu\n0.250000 0.901683 0.803364 Lu\n0.750000 0.435112 0.870226 Sn\n0.250000 0.564888 0.129774 Sn\n0.750000 0.748640 0.497280 Sn\n0.250000 0.251360 0.502720 Sn\n",
"nsites": 6,
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"elements": [
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"Sn"
],
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"density": 8.997732021424461,
"density_atomic": 0.0394185137546791,
"volume": 152.21274037222628,
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"formula_full": "Lu2 Sn4",
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"spacegroup": 63
},
{
"id": "jvasp-91602",
"created_at": "2022-09-04T14:36:17.882303Z",
"updated_at": "2022-09-04T14:36:17.882330Z",
"structure_string": "Mg6 Mn2\n1.0\n0.000000 -4.680200 0.000000\n-0.032518 0.000000 -4.722505\n8.317337 0.000000 2.369383\nMg Mn\n6 2\ndirect\n0.750000 0.433132 0.366982 Mg\n0.250000 0.566870 0.633018 Mg\n0.750000 0.060121 0.615664 Mg\n0.250000 0.939881 0.384336 Mg\n0.750000 0.244487 0.994885 Mg\n0.250000 0.755515 0.005116 Mg\n0.750000 0.847020 0.197524 Mn\n0.250000 0.152981 0.802476 Mn\n",
"nsites": 8,
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"elements": [
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"volume": 183.47141243625646,
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"formula_full": "Mg6 Mn2",
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"spacegroup": 63
},
{
"id": "jvasp-52560",
"created_at": "2022-09-04T14:36:17.951782Z",
"updated_at": "2022-09-04T14:36:17.951807Z",
"structure_string": "Ho4 Ti2 O10\n1.0\n-0.000000 4.050987 0.000000\n-5.505628 2.025494 0.000000\n0.000000 0.000000 10.452443\nHo Ti O\n4 2 10\ndirect\n0.142935 0.714130 0.929773 Ho\n0.142935 0.714130 0.570227 Ho\n0.857065 0.285870 0.070227 Ho\n0.857065 0.285870 0.429773 Ho\n0.170520 0.658957 0.250000 Ti\n0.829479 0.341043 0.750000 Ti\n0.050496 0.899005 0.376951 O\n0.050496 0.899005 0.123049 O\n0.710764 0.578470 0.908281 O\n0.710764 0.578470 0.591719 O\n0.276580 0.446840 0.750000 O\n0.723419 0.553160 0.250000 O\n0.289235 0.421531 0.091719 O\n0.289235 0.421531 0.408281 O\n0.949503 0.100995 0.623048 O\n0.949503 0.100995 0.876951 O\n",
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"elements": [
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{
"id": "jvasp-90557",
"created_at": "2022-09-04T14:36:18.168250Z",
"updated_at": "2022-09-04T14:36:18.168267Z",
"structure_string": "Eu2 Ni2 Ge4\n1.0\n0.000000 -0.000000 -4.228278\n-4.164279 0.000000 0.000000\n2.082139 8.338853 -0.000000\nEu Ni Ge\n2 2 4\ndirect\n0.750000 0.108222 0.216443 Eu\n0.250000 0.891778 0.783557 Eu\n0.750000 0.319946 0.639893 Ni\n0.250000 0.680054 0.360107 Ni\n0.750000 0.458345 0.916690 Ge\n0.250000 0.541655 0.083310 Ge\n0.750000 0.748727 0.497452 Ge\n0.250000 0.251273 0.502548 Ge\n",
"nsites": 8,
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{
"id": "jvasp-93779",
"created_at": "2022-09-04T14:36:18.175132Z",
"updated_at": "2022-09-04T14:36:18.175160Z",
"structure_string": "Ti2 Cu4\n1.0\n-4.429912 -0.000000 -0.000000\n-0.000000 -0.000000 -4.570026\n0.000000 -3.992620 2.285014\nTi Cu\n2 4\ndirect\n0.750000 0.790235 -0.000000 Ti\n0.250000 0.209766 -0.000000 Ti\n0.750000 0.478341 0.343357 Cu\n0.250000 0.865017 0.343357 Cu\n0.250000 0.521660 0.656643 Cu\n0.750000 0.134985 0.656643 Cu\n",
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"formula_full": "Ti2 Cu4",
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}
]
}