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{
"id": "jvasp-103573",
"created_at": "2022-09-04T14:37:10.843671Z",
"updated_at": "2022-09-04T14:37:10.843690Z",
"structure_string": "K2 In1 Cu1 Cl6\n1.0\n6.157250 -0.000000 3.554890\n2.052417 5.805111 3.554890\n-0.000000 -0.000000 7.109780\nK In Cu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Cu\n0.745846 0.254154 0.254154 Cl\n0.254154 0.254154 0.745846 Cl\n0.254154 0.745846 0.745846 Cl\n0.254154 0.745846 0.254153 Cl\n0.745846 0.254154 0.745846 Cl\n0.745847 0.745846 0.254153 Cl\n",
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{
"id": "jvasp-64678",
"created_at": "2022-09-04T14:37:41.412287Z",
"updated_at": "2022-09-04T14:37:41.412304Z",
"structure_string": "Ba4 Be1 Tl1\n1.0\n-0.000000 5.027233 5.027233\n5.027233 0.000000 5.027233\n5.027233 5.027233 0.000000\nBa Be Tl\n4 1 1\ndirect\n0.124799 0.625067 0.625067 Ba\n0.625067 0.625067 0.625067 Ba\n0.625067 0.124799 0.625067 Ba\n0.625067 0.625067 0.124799 Ba\n0.250000 0.250000 0.250000 Be\n0.000000 0.000000 0.000000 Tl\n",
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"volume": 254.1072394826321,
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"formula_full": "Ba4 Be1 Tl1",
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"spacegroup": 216
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{
"id": "jvasp-64453",
"created_at": "2022-09-04T14:37:51.621782Z",
"updated_at": "2022-09-04T14:37:51.621804Z",
"structure_string": "Ba4 Pb1 Cl1\n1.0\n0.000000 5.027133 5.027133\n5.027133 0.000000 5.027133\n5.027133 5.027133 0.000000\nBa Pb Cl\n4 1 1\ndirect\n0.122669 0.625777 0.625777 Ba\n0.625777 0.625777 0.625777 Ba\n0.625777 0.122669 0.625777 Ba\n0.625777 0.625777 0.122669 Ba\n0.000000 0.000000 0.000000 Pb\n0.250000 0.250000 0.250000 Cl\n",
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{
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"created_at": "2022-09-04T14:36:32.635731Z",
"updated_at": "2022-09-04T14:36:32.635751Z",
"structure_string": "Dy2 Y6\n1.0\n7.219887 0.000000 -0.000000\n-3.609945 6.252605 0.000000\n-0.000000 -0.000000 5.628422\nDy Y\n2 6\ndirect\n0.333333 0.666668 0.750000 Dy\n0.666667 0.333333 0.250000 Dy\n0.167260 0.334520 0.250000 Y\n0.665480 0.832741 0.250000 Y\n0.167260 0.832741 0.250000 Y\n0.832740 0.665481 0.750000 Y\n0.334520 0.167260 0.750000 Y\n0.832740 0.167260 0.750000 Y\n",
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{
"id": "jvasp-10890",
"created_at": "2022-09-04T14:37:18.927819Z",
"updated_at": "2022-09-04T14:37:18.927852Z",
"structure_string": "K1 Cr5 S8\n1.0\n3.407885 0.000000 -0.660016\n-0.412037 8.376246 -2.127482\n-0.043068 0.014013 8.905650\nK Cr S\n1 5 8\ndirect\n0.499999 0.500000 -0.000000 K\n0.703941 0.334919 0.407884 Cr\n0.346229 0.027637 0.692460 Cr\n0.653768 0.972363 0.307539 Cr\n0.000000 0.000000 0.000000 Cr\n0.296056 0.665081 0.592115 Cr\n0.237343 0.153331 0.474688 S\n0.762655 0.846669 0.525312 S\n0.168842 0.488952 0.337686 S\n0.831155 0.511049 0.662314 S\n0.084235 0.818351 0.168473 S\n0.915762 0.181649 0.831527 S\n0.426138 0.844984 0.852279 S\n0.573860 0.155016 0.147721 S\n",
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"density_atomic": 0.055100406741096696,
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{
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"created_at": "2022-09-04T14:38:26.567456Z",
"updated_at": "2022-09-04T14:38:26.567490Z",
"structure_string": "Mg4 Fe4 B4 O16\n1.0\n3.003601 -0.000000 0.000000\n0.000000 9.085249 0.000000\n-0.000000 -0.000000 9.310361\nMg Fe B O\n4 4 4 16\ndirect\n0.250000 0.607734 0.178048 Mg\n0.750000 0.392266 0.821952 Mg\n0.750000 0.892266 0.678048 Mg\n0.250000 0.107734 0.321952 Mg\n0.250000 0.613444 0.555599 Fe\n0.750000 0.386557 0.444401 Fe\n0.750000 0.886557 0.055599 Fe\n0.250000 0.113444 0.944401 Fe\n0.250000 0.169323 0.634481 B\n0.750000 0.830677 0.365519 B\n0.750000 0.330677 0.134481 B\n0.250000 0.669323 0.865518 B\n0.750000 0.477088 0.125528 O\n0.250000 0.522912 0.874472 O\n0.250000 0.505032 0.384106 O\n0.750000 0.494968 0.615894 O\n0.750000 0.994968 0.884106 O\n0.250000 0.005032 0.115894 O\n0.250000 0.241950 0.765799 O\n0.750000 0.247069 0.004856 O\n0.750000 0.258050 0.265799 O\n0.250000 0.741950 0.734201 O\n0.250000 0.252931 0.504856 O\n0.750000 0.747069 0.495144 O\n0.750000 0.977088 0.374472 O\n0.250000 0.752931 -0.004856 O\n0.750000 0.758050 0.234201 O\n0.250000 0.022912 0.625528 O\n",
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],
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"density_atomic": 0.11020782612274106,
"volume": 254.0654414942886,
"volume_molar": 5.464349467607681,
"formula_full": "Mg4 Fe4 B4 O16",
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"spacegroup": 62
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{
"id": "jvasp-43585",
"created_at": "2022-09-04T14:35:40.796965Z",
"updated_at": "2022-09-04T14:35:40.797001Z",
"structure_string": "Na8 Mn2 O8\n1.0\n0.000000 6.768938 0.086079\n4.872322 0.000000 0.000000\n0.000000 -6.757983 -7.789219\nNa Mn O\n8 2 8\ndirect\n0.277537 0.777537 0.315821 Na\n0.956337 0.255330 0.269369 Na\n0.491270 0.356453 0.685568 Na\n0.713505 0.742069 0.993540 Na\n0.277538 0.222463 0.815821 Na\n0.491270 0.643546 0.185568 Na\n0.956338 0.744669 0.769369 Na\n0.713504 0.257931 0.493539 Na\n0.023971 0.804804 0.513518 Mn\n0.023971 0.195196 0.013517 Mn\n0.729158 0.246717 0.976061 O\n0.085588 0.158732 0.529151 O\n0.281310 0.701158 0.739594 O\n0.918397 0.732111 0.297933 O\n0.729157 0.753283 0.476061 O\n0.085588 0.841268 0.029151 O\n0.281309 0.298842 0.239594 O\n0.918398 0.267889 0.797934 O\n",
"nsites": 18,
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"formula_full": "Na8 Mn2 O8",
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{
"id": "jvasp-110950",
"created_at": "2022-09-04T14:38:37.388250Z",
"updated_at": "2022-09-04T14:38:37.388264Z",
"structure_string": "Zn1 In3 As1 Se4\n1.0\n5.357339 -0.008737 2.391064\n2.645693 6.561758 1.225675\n-0.006884 -0.007961 7.218725\nZn In As Se\n1 3 1 4\ndirect\n0.978844 0.009681 0.002028 Zn\n0.401141 0.392016 0.804956 In\n0.613808 0.598803 0.194922 In\n0.807308 0.802148 0.597876 In\n0.421076 0.719609 0.904750 As\n0.622309 0.930838 0.300695 Se\n0.891923 0.108494 0.680971 Se\n0.062131 0.273176 0.126516 Se\n0.251464 0.465234 0.487283 Se\n",
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{
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"created_at": "2022-09-04T14:38:15.835030Z",
"updated_at": "2022-09-04T14:38:15.835048Z",
"structure_string": "Rb3 Pm1\n1.0\n0.000000 5.026775 5.026775\n5.026775 -0.000000 5.026775\n5.026775 5.026775 0.000000\nRb Pm\n3 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Rb\n0.250000 0.250000 0.250000 Rb\n0.749999 0.749999 0.749999 Pm\n",
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{
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"created_at": "2022-09-04T14:37:05.436061Z",
"updated_at": "2022-09-04T14:37:05.436081Z",
"structure_string": "Ca6 Mn2 Co2 O12\n1.0\n6.332969 0.012767 -0.216970\n-0.224967 6.328985 -0.216970\n0.012296 0.012767 6.336673\nCa Mn Co O\n6 2 2 12\ndirect\n0.386863 0.113138 0.750000 Ca\n0.613138 0.886862 0.250000 Ca\n0.113138 0.750000 0.386862 Ca\n0.750000 0.386862 0.113138 Ca\n0.886863 0.250001 0.613138 Ca\n0.250000 0.613138 0.886862 Ca\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Co\n0.750000 0.750000 0.750000 Co\n0.954823 0.084848 0.286544 O\n0.213457 0.415153 0.545177 O\n0.545178 0.213457 0.415153 O\n0.286543 0.954822 0.084847 O\n0.786544 0.584847 0.454822 O\n0.454822 0.786544 0.584847 O\n0.915153 0.713456 0.045178 O\n0.584848 0.454823 0.786543 O\n0.084848 0.286544 0.954822 O\n0.415153 0.545178 0.213456 O\n0.713457 0.045178 0.915152 O\n0.045178 0.915153 0.713456 O\n",
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{
"id": "jvasp-12318",
"created_at": "2022-09-04T14:38:09.827374Z",
"updated_at": "2022-09-04T14:38:09.827403Z",
"structure_string": "Ga12 Co4\n1.0\n6.255576 -0.000000 0.000000\n0.000000 6.255576 0.000000\n0.000000 0.000000 6.491504\nGa Co\n12 4\ndirect\n0.500000 0.000000 0.500000 Ga\n0.500000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Ga\n0.000000 0.500000 0.000000 Ga\n0.650868 0.349133 0.243249 Ga\n0.849133 0.849133 0.256751 Ga\n0.150867 0.150867 0.256751 Ga\n0.349133 0.650868 0.243249 Ga\n0.349133 0.650868 0.756751 Ga\n0.650868 0.349133 0.756751 Ga\n0.849133 0.849133 0.743248 Ga\n0.150867 0.150867 0.743248 Ga\n0.842990 0.157011 0.500000 Co\n0.657011 0.657011 0.000000 Co\n0.342989 0.342989 0.000000 Co\n0.157011 0.842990 0.500000 Co\n",
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"formula_full": "Ga12 Co4",
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}
]
}