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{
"id": "jvasp-103016",
"created_at": "2022-09-04T14:36:40.436700Z",
"updated_at": "2022-09-04T14:36:40.436732Z",
"structure_string": "Rb2 O2\n1.0\n5.484348 0.023553 -0.000000\n-4.123981 3.615440 0.000000\n0.000000 -0.000000 4.179285\nRb O\n2 2\ndirect\n0.630183 0.369816 0.250000 Rb\n0.369817 0.630183 0.749999 Rb\n0.919763 0.080236 0.250000 O\n0.080237 0.919763 0.749999 O\n",
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{
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"structure_string": "K1 Sm1 Te2\n1.0\n4.373169 -0.003467 7.338527\n2.018142 3.879654 7.338527\n-0.005716 -0.003467 8.542748\nK Sm Te\n1 1 2\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.499999 0.500001 Sm\n0.238670 0.238669 0.238671 Te\n0.761330 0.761328 0.761332 Te\n",
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{
"id": "jvasp-110751",
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"structure_string": "Ba6 Sm2\n1.0\n8.317359 0.000000 0.000000\n-4.158680 7.203044 0.000000\n-0.000000 -0.000000 6.639294\nBa Sm\n6 2\ndirect\n0.828361 0.171639 0.750000 Ba\n0.343278 0.171639 0.750000 Ba\n0.828361 0.656722 0.750000 Ba\n0.171639 0.828361 0.250000 Ba\n0.656722 0.828361 0.250000 Ba\n0.171639 0.343278 0.250000 Ba\n0.666667 0.333333 0.250000 Sm\n0.333333 0.666666 0.750000 Sm\n",
"nsites": 8,
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"elements": [
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"formula_full": "Ba6 Sm2",
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"spacegroup": 194
},
{
"id": "jvasp-10187",
"created_at": "2022-09-04T14:37:06.532611Z",
"updated_at": "2022-09-04T14:37:06.532631Z",
"structure_string": "Ba4 Cd4 O8\n1.0\n3.697014 0.000000 0.000000\n-0.000000 6.222203 0.000000\n0.000000 0.000000 12.109988\nBa Cd O\n4 4 8\ndirect\n0.250000 0.394806 0.642532 Ba\n0.749999 0.605194 0.357468 Ba\n0.250000 0.894806 0.857468 Ba\n0.749999 0.105194 0.142532 Ba\n0.749999 0.904388 0.606783 Cd\n0.749999 0.404389 0.893218 Cd\n0.250000 0.095611 0.393218 Cd\n0.250000 0.595611 0.106783 Cd\n0.250000 0.276855 0.982214 O\n0.749999 0.723144 0.017787 O\n0.250000 0.776855 0.517787 O\n0.749999 0.223144 0.482213 O\n0.250000 0.858918 0.251753 O\n0.749999 0.641082 0.751753 O\n0.250000 0.358918 0.248247 O\n0.749999 0.141082 0.748247 O\n",
"nsites": 16,
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"elements": [
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"density": 6.717592919792084,
"density_atomic": 0.057435578377191,
"volume": 278.5729760554474,
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"formula_full": "Ba4 Cd4 O8",
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"formula_anonymous": "ABC2",
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"spacegroup": 62
},
{
"id": "jvasp-98482",
"created_at": "2022-09-04T14:35:53.299782Z",
"updated_at": "2022-09-04T14:35:53.299800Z",
"structure_string": "Sr2 Cu1 Cl2 O2\n1.0\n3.858918 -0.000000 -0.951349\n-0.234539 3.851784 -0.951349\n0.005732 0.006092 8.325312\nSr Cu Cl O\n2 1 2 2\ndirect\n0.608492 0.608491 0.216984 Sr\n0.391508 0.391507 0.783016 Sr\n0.000000 0.000000 0.000000 Cu\n0.184511 0.184511 0.369023 Cl\n0.815488 0.815487 0.630976 Cl\n0.500000 0.000000 -0.000000 O\n-0.000000 0.499999 -0.000000 O\n",
"nsites": 7,
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"elements": [
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"density": 4.583502156605083,
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"volume": 123.78982330796228,
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"formula_full": "Sr2 Cu1 Cl2 O2",
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"spacegroup": 139
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{
"id": "jvasp-102530",
"created_at": "2022-09-04T14:36:50.049412Z",
"updated_at": "2022-09-04T14:36:50.049439Z",
"structure_string": "Mg1 Au3\n1.0\n4.137701 -0.000000 0.000000\n0.000000 4.137701 0.000000\n-0.000000 -0.000000 4.137701\nMg Au\n1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 -0.000000 Au\n0.500000 0.000000 0.500000 Au\n-0.000000 0.500000 0.500000 Au\n",
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"density": 14.42086908054851,
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"volume": 70.83979781132928,
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"formula_full": "Mg1 Au3",
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"spacegroup": 221
},
{
"id": "jvasp-37114",
"created_at": "2022-09-04T14:38:07.287483Z",
"updated_at": "2022-09-04T14:38:07.287506Z",
"structure_string": "Rb1 Sm1 Te2\n1.0\n-2.283556 -3.955236 -0.000000\n-4.567113 -0.000000 -0.000000\n-2.283556 -1.318412 -8.465155\nRb Sm Te\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500001 0.500000 Sm\n0.764698 0.764698 0.705906 Te\n0.235303 0.235303 0.294093 Te\n",
"nsites": 4,
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],
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"volume": 152.91464248631144,
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"formula_full": "Rb1 Sm1 Te2",
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"spacegroup": 166
},
{
"id": "jvasp-103735",
"created_at": "2022-09-04T14:36:48.143854Z",
"updated_at": "2022-09-04T14:36:48.143888Z",
"structure_string": "Ag3 Sb1\n1.0\n3.138467 -0.000000 0.000000\n-1.569234 2.717992 0.000000\n0.000000 -0.000000 9.574632\nAg Sb\n3 1\ndirect\n0.333334 0.666666 0.500000 Ag\n0.666667 0.333333 0.267299 Ag\n0.666667 0.333333 0.732701 Ag\n0.333334 0.666666 -0.000000 Sb\n",
"nsites": 4,
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"density": 9.05476033853188,
"density_atomic": 0.04897474233519979,
"volume": 81.67475333760083,
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"formula_full": "Ag3 Sb1",
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"spacegroup": 187
},
{
"id": "jvasp-43766",
"created_at": "2022-09-04T14:36:19.294213Z",
"updated_at": "2022-09-04T14:36:19.294237Z",
"structure_string": "Li2 Fe1 F6\n1.0\n4.824664 0.000000 -0.002877\n-2.412333 4.178819 0.001439\n0.003500 0.000000 4.336495\nLi Fe F\n2 1 6\ndirect\n0.333327 0.666677 0.500000 Li\n0.666650 0.333323 0.499999 Li\n-0.000012 0.000000 0.000000 Fe\n0.000001 0.690576 0.759219 F\n-0.000022 0.309424 0.240781 F\n0.309424 0.309424 0.759219 F\n0.309399 -0.000000 0.240743 F\n0.690554 0.690577 0.240780 F\n0.690578 -0.000000 0.759255 F\n",
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"density": 3.489311487556787,
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"volume": 87.42984192854006,
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"formula_full": "Li2 Fe1 F6",
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"formula_anonymous": "AB2C6",
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"spacegroup": 162
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{
"id": "jvasp-63625",
"created_at": "2022-09-04T14:35:43.297773Z",
"updated_at": "2022-09-04T14:35:43.297800Z",
"structure_string": "Ca4 Al4 Au4\n1.0\n4.531044 -0.000000 0.000000\n-0.000000 7.294235 0.000000\n0.000000 0.000000 7.784918\nCa Al Au\n4 4 4\ndirect\n0.250000 0.015476 0.682774 Ca\n0.749999 0.484524 0.182773 Ca\n0.749999 0.984525 0.317227 Ca\n0.250000 0.515476 0.817227 Ca\n0.250000 0.156822 0.069181 Al\n0.749999 0.343178 0.569181 Al\n0.749999 0.843178 0.930820 Al\n0.250000 0.656823 0.430820 Al\n0.250000 0.291039 0.388258 Au\n0.749999 0.208961 0.888258 Au\n0.749999 0.708962 0.611742 Au\n0.250000 0.791039 0.111742 Au\n",
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"formula_full": "Ca4 Al4 Au4",
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{
"id": "jvasp-86712",
"created_at": "2022-09-04T14:35:43.530326Z",
"updated_at": "2022-09-04T14:35:43.530343Z",
"structure_string": "Ca4 Al4 Au4\n1.0\n4.531999 -0.000000 0.000000\n-0.000000 7.294384 0.000000\n0.000000 0.000000 7.782604\nCa Al Au\n4 4 4\ndirect\n0.250000 0.015419 0.682823 Ca\n0.250000 0.515419 0.817177 Ca\n0.750000 0.984580 0.317177 Ca\n0.750000 0.484580 0.182823 Ca\n0.750000 0.843093 0.930740 Al\n0.250000 0.156907 0.069260 Al\n0.250000 0.656906 0.430740 Al\n0.750000 0.343093 0.569259 Al\n0.250000 0.791137 0.111592 Au\n0.750000 0.208863 0.888407 Au\n0.750000 0.708862 0.611592 Au\n0.250000 0.291137 0.388407 Au\n",
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"formula_full": "Ca4 Al4 Au4",
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{
"id": "jvasp-86111",
"created_at": "2022-09-04T14:35:58.100683Z",
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