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{
"id": "jvasp-88740",
"created_at": "2022-09-04T14:36:03.130209Z",
"updated_at": "2022-09-04T14:36:03.130235Z",
"structure_string": "Na12 Fe2 Se8\n1.0\n9.284241 0.000000 -0.000000\n-4.642121 8.040389 0.000000\n0.000000 0.000000 7.159764\nNa Fe Se\n12 2 8\ndirect\n0.147211 0.852789 0.541681 Na\n0.470833 0.529168 0.869715 Na\n0.529167 0.058334 0.369716 Na\n0.470833 0.941666 0.869715 Na\n0.058334 0.529168 0.869715 Na\n0.529167 0.470833 0.369716 Na\n0.941666 0.470833 0.369716 Na\n0.705578 0.852789 0.541681 Na\n0.147211 0.294422 0.541681 Na\n0.852789 0.705578 0.041682 Na\n0.294422 0.147211 0.041682 Na\n0.852789 0.147211 0.041682 Na\n0.333333 0.666667 0.252934 Fe\n0.666667 0.333333 0.752933 Fe\n0.625348 0.812674 0.144190 Se\n0.333333 0.666667 0.598503 Se\n0.666667 0.333333 0.098503 Se\n0.187326 0.812674 0.144190 Se\n0.374652 0.187326 0.644190 Se\n0.812674 0.625348 0.644190 Se\n0.187326 0.374652 0.144190 Se\n0.812674 0.187326 0.644190 Se\n",
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{
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"created_at": "2022-09-04T14:38:39.810701Z",
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"structure_string": "Ca1 Sn1 S1\n1.0\n6.527574 -0.176129 0.000000\n0.109689 4.090649 0.000000\n0.000000 0.000000 3.745169\nCa Sn S\n1 1 1\ndirect\n0.430915 0.093631 0.000000 Ca\n-0.191290 -0.406333 0.000000 Sn\n0.184454 0.593576 0.000000 S\n",
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{
"id": "jvasp-22670",
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"updated_at": "2022-09-04T14:35:42.550356Z",
"structure_string": "Rb2 Mn1 Cl6\n1.0\n5.955374 0.000000 3.438337\n1.985124 5.614781 3.438337\n0.000000 0.000000 6.876674\nRb Mn Cl\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.749999 0.750000 0.750001 Rb\n0.000000 0.000000 0.000000 Mn\n0.234045 0.765955 0.765955 Cl\n0.765954 0.234045 0.234046 Cl\n0.765954 0.234045 0.765955 Cl\n0.765954 0.765955 0.234046 Cl\n0.234045 0.234045 0.765955 Cl\n0.234045 0.765955 0.234046 Cl\n",
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"formula_full": "Rb2 Mn1 Cl6",
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"spacegroup": 225
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{
"id": "jvasp-87091",
"created_at": "2022-09-04T14:35:49.572557Z",
"updated_at": "2022-09-04T14:35:49.572586Z",
"structure_string": "K3 Na1 Se2 O8\n1.0\n5.861395 0.000000 -0.000000\n-2.930697 5.076116 -0.000000\n-0.000000 -0.000000 7.509885\nK Na Se O\n3 1 2 8\ndirect\n0.000000 0.000000 0.500000 K\n0.666666 0.333333 0.159473 K\n0.333333 0.666667 0.840527 K\n0.000000 0.000000 0.000000 Na\n0.666666 0.333333 0.719469 Se\n0.333333 0.666667 0.280530 Se\n0.358760 0.179380 0.801036 O\n0.820619 0.179380 0.801036 O\n0.820619 0.641241 0.801036 O\n0.179380 0.820621 0.198963 O\n0.641240 0.820621 0.198963 O\n0.179380 0.358760 0.198963 O\n0.333333 0.666667 0.500477 O\n0.666666 0.333333 0.499522 O\n",
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{
"id": "jvasp-40787",
"created_at": "2022-09-04T14:37:48.881578Z",
"updated_at": "2022-09-04T14:37:48.881598Z",
"structure_string": "Sr1 Al1 Ga1\n1.0\n4.460731 -0.000001 2.575403\n1.486904 4.205621 2.575412\n-0.000003 0.000008 5.150811\nSr Al Ga\n1 1 1\ndirect\n0.250000 0.250000 0.249999 Sr\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.499999 Ga\n",
"nsites": 3,
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{
"id": "jvasp-117889",
"created_at": "2022-09-04T14:38:29.314369Z",
"updated_at": "2022-09-04T14:38:29.314392Z",
"structure_string": "Sc2 C1 Cl2\n1.0\n3.434143 0.000000 -0.000000\n-1.717072 2.974055 0.000000\n-0.000000 -0.000000 8.870501\nSc C Cl\n2 1 2\ndirect\n0.666667 0.333334 0.361322 Sc\n0.333335 0.666667 0.638678 Sc\n0.000000 0.000000 0.500000 C\n0.666667 0.333334 0.826837 Cl\n0.333335 0.666667 0.173164 Cl\n",
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{
"id": "jvasp-56461",
"created_at": "2022-09-04T14:37:42.907466Z",
"updated_at": "2022-09-04T14:37:42.907487Z",
"structure_string": "Ca6 Al4 N8\n1.0\n5.513739 -0.003589 0.154864\n0.141342 6.513723 1.639334\n-0.005555 -0.006147 6.718326\nCa Al N\n6 4 8\ndirect\n0.454930 0.252443 0.977541 Ca\n0.545071 0.747556 0.022458 Ca\n0.250000 0.601676 0.398323 Ca\n0.750000 0.398323 0.601677 Ca\n0.954929 0.977540 0.252443 Ca\n0.045072 0.022459 0.747557 Ca\n0.589371 0.823136 0.585649 Al\n0.410630 0.176863 0.414350 Al\n0.089371 0.585649 0.823137 Al\n0.910629 0.414350 0.176863 Al\n0.019542 0.697873 0.058381 N\n0.980459 0.302126 0.941618 N\n0.920362 0.736946 0.588108 N\n0.519543 0.058381 0.697873 N\n0.420362 0.588108 0.736946 N\n0.480458 0.941618 0.302126 N\n0.579638 0.411891 0.263053 N\n0.079639 0.263053 0.411892 N\n",
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{
"id": "jvasp-111840",
"created_at": "2022-09-04T14:38:53.157201Z",
"updated_at": "2022-09-04T14:38:53.157220Z",
"structure_string": "Li1 V4 O10\n1.0\n6.660935 0.020997 -0.372197\n1.461204 6.462148 -0.121451\n0.260194 -0.056439 4.503215\nLi V O\n1 4 10\ndirect\n0.500000 0.500000 -0.000000 Li\n0.206472 0.712509 0.589199 V\n0.793528 0.287491 0.410801 V\n0.675789 0.813813 0.407749 V\n0.324210 0.186187 0.592251 V\n0.949263 0.797592 0.493831 O\n0.050736 0.202409 0.506169 O\n0.377618 0.886635 0.501038 O\n0.622382 0.113365 0.498963 O\n0.227160 0.695884 0.952059 O\n0.772840 0.304116 0.047941 O\n0.666886 0.786938 0.050103 O\n0.333113 0.213063 0.949897 O\n0.312441 0.457637 0.464137 O\n0.687558 0.542364 0.535864 O\n",
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"spacegroup": 2
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{
"id": "jvasp-40701",
"created_at": "2022-09-04T14:38:05.139484Z",
"updated_at": "2022-09-04T14:38:05.139509Z",
"structure_string": "Li12 Co4 O12\n1.0\n8.563466 -0.000000 0.000000\n-0.000000 8.563466 0.000000\n0.000000 0.000000 3.652422\nLi Co O\n12 4 12\ndirect\n0.365570 0.105257 0.500000 Li\n0.605257 0.134430 0.000000 Li\n0.161424 0.161424 0.000000 Li\n0.661424 0.338576 0.500000 Li\n0.105257 0.365570 0.500000 Li\n0.865570 0.394743 0.000000 Li\n0.134430 0.605257 0.000000 Li\n0.894744 0.634430 0.500000 Li\n0.338576 0.661424 0.500000 Li\n0.838576 0.838576 0.000000 Li\n0.394743 0.865570 0.000000 Li\n0.634430 0.894744 0.500000 Li\n0.118005 0.881996 0.500000 Co\n0.618005 0.618005 0.000000 Co\n0.381996 0.381996 0.000000 Co\n0.881996 0.118005 0.500000 Co\n0.100498 0.100498 0.500000 O\n0.671285 0.112935 0.500000 O\n0.387065 0.171285 0.000000 O\n0.887065 0.328715 0.500000 O\n0.171285 0.387065 0.000000 O\n0.600498 0.399502 0.000000 O\n0.399502 0.600498 0.000000 O\n0.828716 0.612935 0.000000 O\n0.112935 0.671285 0.500000 O\n0.612935 0.828716 0.000000 O\n0.328715 0.887065 0.500000 O\n0.899503 0.899503 0.500000 O\n",
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{
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"created_at": "2022-09-04T14:36:09.314662Z",
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"structure_string": "Li3 Fe2 Si2 O8\n1.0\n4.965834 -0.007024 0.002323\n0.070436 5.398901 0.012325\n0.025109 0.074396 6.190866\nLi Fe Si O\n3 2 2 8\ndirect\n0.510738 0.663510 0.252156 Li\n0.507134 0.668138 0.751011 Li\n-0.000693 0.331340 0.749008 Li\n0.008802 0.826352 0.007432 Fe\n0.499697 0.175709 0.490759 Fe\n0.492150 0.167841 0.995359 Si\n0.004899 0.835713 0.505160 Si\n0.614625 0.877312 0.999387 O\n0.163360 0.148466 0.980020 O\n0.578539 0.317007 0.213216 O\n0.122035 0.706049 0.284778 O\n0.117024 0.119919 0.520953 O\n0.669929 0.838875 0.501382 O\n0.103305 0.676951 0.725420 O\n0.602539 0.315887 0.774425 O\n",
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{
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"created_at": "2022-09-04T14:38:44.356655Z",
"updated_at": "2022-09-04T14:38:44.356683Z",
"structure_string": "Li2 Co2 P2 O8\n1.0\n4.519033 -0.496826 2.554404\n-1.900833 7.856735 -3.451476\n-0.009732 -0.560040 5.046163\nLi Co P O\n2 2 2 8\ndirect\n0.137605 0.477558 0.050248 Li\n0.437902 0.248942 0.525259 Li\n0.015074 0.077426 0.086684 Co\n0.560430 0.649086 0.488818 Co\n0.883825 0.619051 0.789273 P\n0.691678 0.107462 0.786231 P\n0.139494 0.547312 0.472074 O\n0.007011 0.206423 0.850884 O\n0.436014 0.179203 0.103443 O\n0.623951 0.903849 0.690248 O\n0.860376 0.568859 0.056469 O\n0.568504 0.520088 0.724605 O\n0.715139 0.157664 0.519037 O\n0.951527 0.822663 0.885239 O\n",
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]
}