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{
"id": "jvasp-74697",
"created_at": "2022-09-04T14:35:53.271130Z",
"updated_at": "2022-09-04T14:35:53.271157Z",
"structure_string": "K2 Be1 Sb1\n1.0\n-2.642396 2.642396 4.197434\n2.642396 -2.642396 4.197434\n2.642396 2.642396 -4.197434\nK Be Sb\n2 1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.250000 0.750001 0.500001 K\n0.750001 0.250000 0.500001 Be\n0.499999 0.499999 0.000000 Sb\n",
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{
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"structure_string": "Mn1 Tl1 F2\n1.0\n3.199167 0.000000 -0.000000\n0.000000 3.199167 0.000000\n0.000000 -0.000000 6.840843\nMn Tl F\n1 1 2\ndirect\n0.500001 0.500001 0.456857 Mn\n0.000000 0.000000 0.906594 Tl\n0.000000 0.000000 0.472009 F\n0.500001 0.500001 0.174540 F\n",
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{
"id": "jvasp-94405",
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"structure_string": "Mg4 Sb2\n1.0\n3.529964 -0.000000 0.000000\n-1.764982 3.057038 0.000000\n0.000000 0.000000 13.931202\nMg Sb\n4 2\ndirect\n0.333333 0.666667 0.914854 Mg\n0.333333 0.666667 0.585146 Mg\n0.666667 0.333333 0.414854 Mg\n0.666667 0.333333 0.085146 Mg\n0.666667 0.333333 0.750000 Sb\n0.333333 0.666667 0.250000 Sb\n",
"nsites": 6,
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"elements": [
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{
"id": "jvasp-91824",
"created_at": "2022-09-04T14:36:07.310033Z",
"updated_at": "2022-09-04T14:36:07.310051Z",
"structure_string": "Mg3 Cd1 O4\n1.0\n4.425198 -0.000000 -0.000000\n-0.000000 4.425198 -0.000000\n0.000000 -0.000000 4.425198\nMg Cd O\n3 1 4\ndirect\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Cd\n0.500000 0.000000 0.000000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n",
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"density_atomic": 0.09231916434507315,
"volume": 86.65589703669086,
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"spacegroup": 221
},
{
"id": "jvasp-18640",
"created_at": "2022-09-04T14:36:54.465132Z",
"updated_at": "2022-09-04T14:36:54.465152Z",
"structure_string": "Tl1 Bi2\n1.0\n2.873043 -4.976256 -0.000000\n2.873043 4.976256 0.000000\n-0.000000 -0.000000 3.402599\nTl Bi\n1 2\ndirect\n0.000000 0.000000 0.000000 Tl\n0.666667 0.333332 0.500000 Bi\n0.333332 0.666667 0.500000 Bi\n",
"nsites": 3,
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"elements": [
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{
"id": "jvasp-66854",
"created_at": "2022-09-04T14:35:54.313375Z",
"updated_at": "2022-09-04T14:35:54.313393Z",
"structure_string": "Be1 In1 Br1\n1.0\n-1.610730 1.610730 6.789410\n1.610730 -1.610730 6.789410\n1.610730 1.610730 -6.789410\nBe In Br\n1 1 1\ndirect\n0.022477 0.022477 0.000000 Be\n0.367284 0.367284 0.000000 In\n0.610238 0.610238 0.000000 Br\n",
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"volume": 70.45916986489036,
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{
"id": "jvasp-90722",
"created_at": "2022-09-04T14:35:46.839091Z",
"updated_at": "2022-09-04T14:35:46.839107Z",
"structure_string": "Pb4 S4\n1.0\n0.000000 -4.025132 0.000000\n-5.923085 0.000000 0.085413\n-0.830947 0.000000 -10.014820\nPb S\n4 4\ndirect\n0.250000 0.262662 0.386577 Pb\n0.750000 0.737340 0.613423 Pb\n0.250000 0.734782 0.100784 Pb\n0.750000 0.265219 0.899216 Pb\n0.250000 0.242338 0.092014 S\n0.750000 0.757663 0.907986 S\n0.750000 0.570052 0.341988 S\n0.250000 0.429949 0.658012 S\n",
"nsites": 8,
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"elements": [
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"volume": 239.05099470584037,
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"formula_full": "Pb4 S4",
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{
"id": "jvasp-48591",
"created_at": "2022-09-04T14:37:03.122591Z",
"updated_at": "2022-09-04T14:37:03.122616Z",
"structure_string": "Li4 Ni4 O4 F8\n1.0\n0.000000 4.887302 0.008049\n4.845479 0.000000 0.000000\n0.000000 -4.636660 -8.204209\nLi Ni O F\n4 4 4 8\ndirect\n0.274503 0.969077 0.242251 Li\n0.725497 0.469077 0.257749 Li\n0.274503 0.530923 0.742251 Li\n0.725497 0.030923 0.757749 Li\n0.000000 0.500000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.500000 0.000000 -0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.935726 0.107180 0.037944 O\n0.064274 0.607180 0.462056 O\n0.935726 0.392820 0.537944 O\n0.064274 0.892820 0.962056 O\n0.638449 0.410694 0.741220 F\n0.733028 0.857970 0.587799 F\n0.266972 0.357970 0.912201 F\n0.361550 0.910694 0.758780 F\n0.638449 0.089306 0.241220 F\n0.733028 0.642031 0.087799 F\n0.266972 0.142031 0.412201 F\n0.361550 0.589306 0.258780 F\n",
"nsites": 20,
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"elements": [
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"density": 4.093673496736093,
"density_atomic": 0.10303666751013643,
"volume": 194.10565659096517,
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"formula_full": "Li4 Ni4 O4 F8",
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{
"id": "jvasp-62144",
"created_at": "2022-09-04T14:35:49.200090Z",
"updated_at": "2022-09-04T14:35:49.200109Z",
"structure_string": "P4 Au4 Cl32\n1.0\n-5.663533 6.046486 7.976217\n5.663533 -6.046486 7.976217\n5.663533 6.046486 -7.976217\nP Au Cl\n4 4 32\ndirect\n0.749860 0.749860 -0.000000 P\n0.250141 0.250141 -0.000000 P\n0.249859 0.749859 0.500000 P\n0.750141 0.250141 0.500000 P\n0.250000 0.325616 0.575617 Au\n0.750000 0.674383 0.424383 Au\n0.250000 0.835338 0.085338 Au\n0.750001 0.164662 0.914662 Au\n0.223093 0.414148 0.992523 Cl\n0.441957 0.323537 0.765494 Cl\n0.558043 0.676463 0.234506 Cl\n0.941957 0.676463 0.618420 Cl\n0.105163 0.690752 0.085589 Cl\n0.394837 0.980426 0.085589 Cl\n0.894837 0.309247 0.914411 Cl\n0.605164 0.019574 0.914411 Cl\n0.250000 0.629876 0.879876 Cl\n0.750000 0.370124 0.120124 Cl\n0.250000 0.039605 0.289605 Cl\n0.750000 0.960395 0.710395 Cl\n0.058043 0.323537 0.381580 Cl\n0.604983 0.529466 0.424484 Cl\n0.895018 0.819502 0.424484 Cl\n0.395018 0.470534 0.575516 Cl\n0.421626 0.230570 0.007477 Cl\n0.078374 0.585852 0.308944 Cl\n0.723093 0.230570 0.308945 Cl\n0.776907 0.585852 0.007477 Cl\n0.578374 0.769430 0.992523 Cl\n0.921627 0.414148 0.691056 Cl\n0.276907 0.769430 0.691055 Cl\n0.238438 0.931384 0.526653 Cl\n0.095269 0.068615 0.807054 Cl\n0.404731 0.711784 0.473346 Cl\n0.761562 0.068616 0.473347 Cl\n0.738439 0.711784 0.807054 Cl\n0.904731 0.931385 0.192946 Cl\n0.104983 0.180497 0.575516 Cl\n0.261562 0.288215 0.192946 Cl\n0.595270 0.288215 0.526654 Cl\n",
"nsites": 40,
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"density": 3.110010856960812,
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"volume": 1092.565390636252,
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"formula_full": "P4 Au4 Cl32",
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{
"id": "jvasp-91778",
"created_at": "2022-09-04T14:36:05.875352Z",
"updated_at": "2022-09-04T14:36:05.875375Z",
"structure_string": "Pb4 S4\n1.0\n0.000000 -4.027969 0.000000\n-5.885917 0.000000 0.688833\n-0.421169 0.000000 -10.027769\nPb S\n4 4\ndirect\n0.250000 0.761821 0.612396 Pb\n0.750000 0.238179 0.387604 Pb\n0.250000 0.234088 0.899660 Pb\n0.750000 0.765913 0.100341 Pb\n0.250000 0.741287 0.907177 S\n0.750000 0.258713 0.092824 S\n0.750000 0.068982 0.658284 S\n0.250000 0.931018 0.341717 S\n",
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"volume": 238.9098423169134,
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},
{
"id": "jvasp-96761",
"created_at": "2022-09-04T14:36:20.617661Z",
"updated_at": "2022-09-04T14:36:20.617688Z",
"structure_string": "P4 Au4 Cl32\n1.0\n10.345849 -0.181486 -4.992841\n-6.734117 9.282698 -0.693665\n-0.121147 0.181486 11.486965\nP Au Cl\n4 4 32\ndirect\n-0.000000 0.250151 0.250151 P\n0.500000 0.749849 0.249849 P\n-0.000000 0.749849 0.749849 P\n0.500000 0.250151 0.750151 P\n0.085559 0.835559 0.250000 Au\n0.914441 0.164441 0.750000 Au\n0.424315 0.674315 0.750000 Au\n0.575685 0.325685 0.250000 Au\n0.309200 0.585939 0.078056 Cl\n0.690800 0.414061 0.921944 Cl\n0.992117 0.768856 0.578056 Cl\n0.710143 0.960143 0.750000 Cl\n0.289857 0.039857 0.250000 Cl\n0.119975 0.369975 0.750000 Cl\n0.880025 0.630025 0.250000 Cl\n0.914193 0.309410 0.895217 Cl\n0.914193 0.018977 0.604783 Cl\n0.085806 0.690590 0.104783 Cl\n0.085806 0.981024 0.395217 Cl\n0.618030 0.676389 0.941642 Cl\n0.234747 0.676389 0.558359 Cl\n0.765253 0.323611 0.441641 Cl\n0.381970 0.323612 0.058358 Cl\n0.424506 0.819907 0.895401 Cl\n0.424506 0.529105 0.604599 Cl\n0.575494 0.180093 0.104599 Cl\n0.575494 0.470895 0.395401 Cl\n0.007883 0.585940 0.776739 Cl\n0.192763 0.288283 0.260897 Cl\n0.807237 0.068134 0.095519 Cl\n0.472614 0.711718 0.404481 Cl\n0.472614 0.068134 0.760897 Cl\n0.807237 0.711718 0.739103 Cl\n0.192763 0.931867 0.904481 Cl\n0.527385 0.288283 0.595519 Cl\n0.690800 0.768856 0.276739 Cl\n0.992117 0.414061 0.223261 Cl\n0.007883 0.231144 0.421944 Cl\n0.309200 0.231144 0.723261 Cl\n0.527385 0.931866 0.239103 Cl\n",
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{
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"created_at": "2022-09-04T14:37:35.361156Z",
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"structure_string": "Ce1 In5 Co1\n1.0\n4.623211 0.000000 0.000000\n0.000000 4.623211 -0.000000\n-0.000000 0.000000 7.558807\nCe In Co\n1 5 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.000000 In\n0.500000 0.000000 0.691756 In\n0.000000 0.500000 0.308244 In\n0.500000 0.000000 0.308244 In\n0.000000 0.500000 0.691756 In\n0.000000 0.000000 0.500000 Co\n",
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}