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"results": [
{
"id": "jvasp-14223",
"created_at": "2022-09-04T14:35:49.639675Z",
"updated_at": "2022-09-04T14:35:49.639721Z",
"structure_string": "Nd3 Al9 Br36\n1.0\n5.133204 -8.890972 -0.000000\n5.133204 8.890972 0.000000\n-0.000000 -0.000000 18.398225\nNd Al Br\n3 9 36\ndirect\n0.274776 0.274776 0.500000 Nd\n-0.000000 0.725223 0.166667 Nd\n0.725223 -0.000000 0.833333 Nd\n0.688442 0.317263 0.108749 Al\n0.628821 0.311557 0.775415 Al\n0.893323 0.893323 0.000000 Al\n-0.000000 0.106677 0.666667 Al\n0.682736 0.371178 0.442082 Al\n0.371178 0.682736 0.557918 Al\n0.311557 0.628821 0.224585 Al\n0.106677 -0.000000 0.333333 Al\n0.317263 0.688442 0.891251 Al\n0.029967 0.249243 0.770134 Br\n0.201398 0.074527 0.636445 Br\n0.873128 0.798601 0.303112 Br\n0.970032 0.219275 0.563201 Br\n0.780723 0.750756 0.896534 Br\n0.249243 0.029967 0.229867 Br\n0.219275 0.970032 0.436800 Br\n0.411886 0.296757 0.814296 Br\n0.296757 0.411886 0.185705 Br\n0.588113 0.884871 0.519039 Br\n0.115128 0.703242 0.852372 Br\n0.703242 0.115128 0.147629 Br\n0.925473 0.126871 0.969778 Br\n0.884871 0.588113 0.480962 Br\n0.718432 0.214475 0.368545 Br\n0.750756 0.780723 0.103466 Br\n0.126871 0.925473 0.030222 Br\n0.922730 0.495193 0.052901 Br\n0.074527 0.201398 0.363555 Br\n0.503958 0.785524 0.298122 Br\n0.281567 0.496041 0.964788 Br\n0.214475 0.718432 0.631455 Br\n0.537259 0.236290 0.544406 Br\n0.763709 0.300968 0.877740 Br\n0.699031 0.462740 0.211072 Br\n0.462740 0.699031 0.788928 Br\n0.236290 0.537259 0.455594 Br\n0.300968 0.763709 0.122261 Br\n0.504806 0.427536 0.386235 Br\n0.572463 0.077269 0.719568 Br\n0.785524 0.503958 0.701878 Br\n0.495193 0.922730 0.947100 Br\n0.427536 0.504806 0.613765 Br\n0.077269 0.572463 0.280432 Br\n0.798601 0.873128 0.696888 Br\n0.496041 0.281567 0.035212 Br\n",
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"formula_full": "Nd3 Al9 Br36",
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{
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"created_at": "2022-09-04T14:38:41.070704Z",
"updated_at": "2022-09-04T14:38:41.070729Z",
"structure_string": "Mg2 Mn3 Ni1 S8\n1.0\n6.133347 0.032492 3.610878\n2.081096 5.769485 3.610722\n0.047385 0.033344 7.117139\nMg Mn Ni S\n2 3 1 8\ndirect\n0.876732 0.876719 0.876730 Mg\n0.123271 0.123278 0.123271 Mg\n0.500000 0.500001 -0.000000 Mn\n0.000001 0.499999 0.500000 Mn\n0.500001 -0.000001 0.500001 Mn\n0.500003 0.499997 0.500000 Ni\n0.737964 0.737975 0.737965 S\n0.263616 0.263634 0.704960 S\n0.263625 0.704963 0.263631 S\n0.704960 0.263631 0.263618 S\n0.736379 0.295034 0.736371 S\n0.295044 0.736366 0.736380 S\n0.262039 0.262023 0.262035 S\n0.736387 0.736363 0.295040 S\n",
"nsites": 14,
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"elements": [
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"chemical_system": "Mg-Mn-Ni-S",
"density": 3.5127240643133057,
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"volume": 249.89815962394087,
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"formula_full": "Mg2 Mn3 Ni1 S8",
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"formula_anonymous": "AB2C3D8",
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{
"id": "jvasp-110661",
"created_at": "2022-09-04T14:38:36.085566Z",
"updated_at": "2022-09-04T14:38:36.085598Z",
"structure_string": "K2 Li1 Sb1 Br6\n1.0\n6.679493 -0.000000 3.856407\n2.226498 6.297487 3.856407\n-0.000000 -0.000000 7.712815\nK Li Sb Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Sb\n0.744066 0.255934 0.255934 Br\n0.255934 0.255934 0.744066 Br\n0.255934 0.744066 0.744066 Br\n0.255934 0.744066 0.255934 Br\n0.744066 0.255934 0.744066 Br\n0.744066 0.744066 0.255934 Br\n",
"nsites": 10,
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"elements": [
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"density": 3.5127971485122913,
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"volume": 324.43200699308204,
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"formula_full": "K2 Li1 Sb1 Br6",
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{
"id": "jvasp-38087",
"created_at": "2022-09-04T14:38:01.704446Z",
"updated_at": "2022-09-04T14:38:01.704474Z",
"structure_string": "Rb2 Tl1 In1 Cl6\n1.0\n-0.000000 5.497073 5.497073\n5.497073 -0.000000 5.497073\n5.497073 5.497073 0.000000\nRb Tl In Cl\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 In\n0.230254 0.769746 0.769746 Cl\n0.230254 0.769746 0.230254 Cl\n0.769746 0.230254 0.769746 Cl\n0.769746 0.769746 0.230254 Cl\n0.230254 0.230254 0.769746 Cl\n0.769746 0.230254 0.230254 Cl\n",
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"volume": 332.21903217170393,
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"formula_full": "Rb2 Tl1 In1 Cl6",
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{
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"structure_string": "Mg6 Nb1 Mo1\n1.0\n6.250110 -0.140730 0.000000\n-3.246930 5.342389 0.000000\n0.000000 0.000000 4.803282\nMg Nb Mo\n6 1 1\ndirect\n0.183473 0.832792 0.250000 Mg\n0.667208 0.316527 0.250000 Mg\n0.669724 0.830277 0.250000 Mg\n0.318223 0.667405 0.750000 Mg\n0.832595 0.181777 0.750000 Mg\n0.828207 0.671793 0.750000 Mg\n0.191115 0.308885 0.250000 Nb\n0.309456 0.190545 0.750000 Mo\n",
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"formula_full": "Mg6 Nb1 Mo1",
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"spacegroup": 38
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{
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"created_at": "2022-09-04T14:36:02.845325Z",
"updated_at": "2022-09-04T14:36:02.845348Z",
"structure_string": "K4 P2 Au2 S8\n1.0\n0.000000 6.481732 -0.088100\n6.753345 0.000000 0.000000\n0.000000 -0.381625 -9.376009\nK P Au S\n4 2 2 8\ndirect\n0.200321 0.749999 0.536704 K\n0.799678 0.250000 0.463296 K\n0.546166 0.749999 0.164226 K\n0.453833 0.250000 0.835774 K\n0.723349 0.749999 0.718332 P\n0.276650 0.250000 0.281668 P\n0.000000 0.500000 0.000000 Au\n0.000000 0.000000 0.000000 Au\n0.101329 0.994138 0.238955 S\n0.898670 0.494139 0.761045 S\n0.898670 0.005861 0.761045 S\n0.101329 0.505861 0.238955 S\n0.457959 0.749999 0.827409 S\n0.542040 0.250000 0.172591 S\n0.691864 0.749999 0.502372 S\n0.308135 0.250000 0.497628 S\n",
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"volume": 410.64658883184615,
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{
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"created_at": "2022-09-04T14:38:11.581319Z",
"updated_at": "2022-09-04T14:38:11.581349Z",
"structure_string": "Li1 Al2 Fe1 O6\n1.0\n4.901620 0.021512 -0.047411\n2.459826 4.239764 0.047411\n-0.883921 1.526993 4.885337\nLi Al Fe O\n1 2 1 6\ndirect\n0.500001 0.499999 0.500000 Li\n0.330954 0.330953 0.000000 Al\n0.669047 0.669045 0.000000 Al\n0.000000 0.000000 0.000000 Fe\n0.081412 0.595358 0.201090 O\n0.256625 0.743375 0.800979 O\n0.595360 0.081410 0.798910 O\n0.404642 0.918588 0.201090 O\n0.743377 0.256623 0.199022 O\n0.918591 0.404639 0.798910 O\n",
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"formula_full": "Li1 Al2 Fe1 O6",
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{
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"created_at": "2022-09-04T14:36:36.162913Z",
"updated_at": "2022-09-04T14:36:36.162932Z",
"structure_string": "Mg2 In2 S6\n1.0\n6.535558 0.031942 1.661808\n-3.904917 5.240818 1.661808\n-0.009381 -0.018802 6.458848\nMg In S\n2 2 6\ndirect\n0.670589 0.329410 0.000000 Mg\n0.329410 0.670590 0.000000 Mg\n0.835541 0.835541 0.349626 In\n0.164459 0.164459 0.650375 In\n0.514602 0.873059 0.262901 S\n0.485398 0.126942 0.737100 S\n0.126942 0.485398 0.737100 S\n0.873058 0.514602 0.262901 S\n0.751057 0.751058 0.774920 S\n0.248943 0.248943 0.225081 S\n",
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{
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"created_at": "2022-09-04T14:38:39.595759Z",
"updated_at": "2022-09-04T14:38:39.595787Z",
"structure_string": "K2 Li1 Co1 F6\n1.0\n4.820749 0.000000 2.783261\n1.606916 4.545045 2.783261\n0.000000 0.000000 5.566521\nK Li Co F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750001 0.750001 0.749999 K\n0.500000 0.500001 0.499999 Li\n0.000000 0.000000 0.000000 Co\n0.762055 0.237945 0.237945 F\n0.237945 0.762056 0.762054 F\n0.237945 0.762056 0.237944 F\n0.762055 0.237945 0.762054 F\n0.237945 0.237945 0.762055 F\n0.762056 0.762056 0.237944 F\n",
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{
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"structure_string": "Rb8 P1 O3\n1.0\n7.116913 -0.000000 0.000000\n-0.000000 7.116913 -0.000000\n0.000000 -0.000000 7.116913\nRb P O\n8 1 3\ndirect\n0.263683 0.263683 0.263683 Rb\n0.736317 0.736317 0.263683 Rb\n0.736317 0.263683 0.736317 Rb\n0.263683 0.736317 0.736317 Rb\n0.263683 0.263683 0.736317 Rb\n0.736317 0.736317 0.736317 Rb\n0.736317 0.263683 0.263683 Rb\n0.263683 0.736317 0.263683 Rb\n0.000000 0.000000 0.000000 P\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n",
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{
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"structure_string": "Ca2 Fe2 S2 O2\n1.0\n-1.881971 -3.259671 0.000000\n-1.881971 3.259671 0.000000\n0.000000 0.000000 -11.091922\nCa Fe S O\n2 2 2 2\ndirect\n0.333333 0.666667 0.792387 Ca\n0.666667 0.333333 0.292388 Ca\n0.000000 0.000000 0.056069 Fe\n0.000000 0.000000 0.556069 Fe\n0.666667 0.333333 0.975991 S\n0.333333 0.666667 0.475991 S\n0.000000 0.000000 0.224513 O\n0.000000 0.000000 0.724513 O\n",
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]
}