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{
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"results": [
{
"id": "jvasp-7826",
"created_at": "2022-09-04T14:37:05.514465Z",
"updated_at": "2022-09-04T14:37:05.514492Z",
"structure_string": "Rb1 Ti1 S2\n1.0\n3.378498 -0.118206 7.156604\n1.510183 3.024495 7.156604\n-0.198835 -0.118206 7.911492\nRb Ti S\n1 1 2\ndirect\n0.818071 0.818071 0.818073 Rb\n0.986873 0.986873 0.986875 Ti\n0.592983 0.592983 0.592985 S\n0.380070 0.380070 0.380071 S\n",
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{
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"structure_string": "Rb2 Ti2 Cl6\n1.0\n3.595229 -6.227120 0.000000\n3.595229 6.227120 0.000000\n-0.000000 -0.000000 5.575984\nRb Ti Cl\n2 2 6\ndirect\n0.666667 0.333333 0.250000 Rb\n0.333333 0.666667 0.749999 Rb\n0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.832196 0.664392 0.749999 Cl\n0.167805 0.832195 0.250000 Cl\n0.664392 0.832196 0.250000 Cl\n0.335608 0.167805 0.749999 Cl\n0.167805 0.335608 0.250000 Cl\n0.832195 0.167805 0.749999 Cl\n",
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{
"id": "jvasp-56321",
"created_at": "2022-09-04T14:36:06.253266Z",
"updated_at": "2022-09-04T14:36:06.253302Z",
"structure_string": "Rb2 Ti2 Br6\n1.0\n3.788598 -6.562044 0.000000\n3.788598 6.562044 -0.000000\n0.000000 0.000000 5.872506\nRb Ti Br\n2 2 6\ndirect\n0.333333 0.666667 0.250000 Rb\n0.666667 0.333333 0.750001 Rb\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.830682 0.661364 0.250000 Br\n0.661364 0.830682 0.750001 Br\n0.338636 0.169318 0.250000 Br\n0.169318 0.338636 0.750001 Br\n0.830682 0.169319 0.250000 Br\n0.169319 0.830682 0.750001 Br\n",
"nsites": 10,
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"elements": [
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],
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"density": 4.242982919525485,
"density_atomic": 0.03424749976743989,
"volume": 291.99211819565573,
"volume_molar": 17.58417636584796,
"formula_full": "Rb2 Ti2 Br6",
"formula_reduced": "RbTiBr3",
"formula_anonymous": "ABC3",
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"spacegroup": 194
},
{
"id": "jvasp-38301",
"created_at": "2022-09-04T14:37:58.877009Z",
"updated_at": "2022-09-04T14:37:58.877025Z",
"structure_string": "Rb1 Ti5 Se8\n1.0\n-0.000000 3.615289 0.000000\n-2.257061 0.000000 8.923270\n9.452106 -1.807644 -0.028626\nRb Ti Se\n1 5 8\ndirect\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Ti\n0.656504 -0.001383 0.313005 Ti\n0.707921 0.348394 0.415840 Ti\n0.292081 0.651605 0.584161 Ti\n0.343499 0.001382 0.686995 Ti\n0.573667 0.174524 0.147334 Se\n0.087898 0.822858 0.175796 Se\n0.161740 0.499556 0.323478 Se\n0.242924 0.165298 0.485845 Se\n0.757079 0.834701 0.514155 Se\n0.838263 0.500444 0.676523 Se\n0.912104 0.177142 0.824205 Se\n0.426334 0.825476 0.852665 Se\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Rb-Se-Ti",
"density": 5.212708499283424,
"density_atomic": 0.04594785193014866,
"volume": 304.69324270660644,
"volume_molar": 13.10646854428591,
"formula_full": "Rb1 Ti5 Se8",
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"formula_anonymous": "AB5C8",
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"spacegroup": 12
},
{
"id": "jvasp-88224",
"created_at": "2022-09-04T14:36:21.236031Z",
"updated_at": "2022-09-04T14:36:21.236068Z",
"structure_string": "Rb2 Ti4 P6 O24\n1.0\n7.466374 -0.011972 5.540864\n2.781389 6.928981 5.540864\n-0.017737 -0.011972 9.297720\nRb Ti P O\n2 4 6 24\ndirect\n0.000000 0.000000 0.000000 Rb\n0.499999 0.500000 0.500000 Rb\n0.349157 0.349158 0.349158 Ti\n0.849157 0.849158 0.849157 Ti\n0.650842 0.650843 0.650842 Ti\n0.150842 0.150842 0.150842 Ti\n0.971158 0.528842 0.250000 P\n0.250000 0.971159 0.528841 P\n0.528841 0.250000 0.971159 P\n0.749999 0.028842 0.471159 P\n0.471158 0.750000 0.028841 P\n0.028841 0.471159 0.750000 P\n0.429633 0.567566 0.196521 O\n0.070366 0.303479 0.932434 O\n0.303479 0.932435 0.070366 O\n0.932434 0.070367 0.303479 O\n0.567565 0.196522 0.429633 O\n0.196521 0.429634 0.567565 O\n0.845345 0.486942 0.766322 O\n0.067565 0.929633 0.696521 O\n0.486941 0.766322 0.845346 O\n0.766321 0.845346 0.486941 O\n0.733677 0.013059 0.654654 O\n0.013058 0.654654 0.733678 O\n0.654654 0.733678 0.013058 O\n0.154654 0.513058 0.233678 O\n0.696520 0.067566 0.929633 O\n0.513058 0.233678 0.154654 O\n0.266322 0.986942 0.345345 O\n0.986941 0.345346 0.266322 O\n0.345345 0.266322 0.986942 O\n0.570366 0.432435 0.803478 O\n0.803478 0.570367 0.432434 O\n0.432434 0.803479 0.570366 O\n0.233678 0.154654 0.513058 O\n0.929633 0.696522 0.067565 O\n",
"nsites": 36,
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"elements": [
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],
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"density_atomic": 0.07464014827116727,
"volume": 482.31415443083245,
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"formula_full": "Rb2 Ti4 P6 O24",
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"formula_anonymous": "AB2C3D12",
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{
"id": "jvasp-95440",
"created_at": "2022-09-04T14:36:21.708373Z",
"updated_at": "2022-09-04T14:36:21.708405Z",
"structure_string": "Rb2 Th6 F26\n1.0\n7.479155 0.000000 0.000000\n0.000000 8.197057 0.000000\n0.000000 0.000000 8.699620\nRb Th F\n2 6 26\ndirect\n0.894868 0.500000 0.306382 Rb\n0.105133 0.500000 0.806382 Rb\n0.602403 0.253250 0.665133 Th\n0.602403 0.746750 0.665133 Th\n0.397598 0.746750 0.165133 Th\n0.397598 0.253250 0.165133 Th\n0.108213 0.000000 0.499610 Th\n0.891788 0.000000 0.999610 Th\n0.302925 0.826204 0.637054 F\n0.227713 0.500000 0.132172 F\n0.824517 0.256735 0.857450 F\n0.175484 0.743266 0.357450 F\n0.175484 0.256735 0.357450 F\n0.403084 0.000000 0.039327 F\n0.697076 0.173796 0.137054 F\n0.637122 0.000000 0.820479 F\n0.596917 0.000000 0.539327 F\n0.115899 0.195720 0.042449 F\n0.302925 0.173796 0.637054 F\n0.547755 0.694759 0.402705 F\n0.968987 0.000000 0.263224 F\n0.772287 0.500000 0.632172 F\n0.452246 0.694759 0.902705 F\n0.547755 0.305241 0.402705 F\n0.434849 0.500000 0.650723 F\n0.884101 0.195720 0.542449 F\n0.031014 0.000000 0.763224 F\n0.362878 0.000000 0.320479 F\n0.824517 0.743266 0.857450 F\n0.115899 0.804280 0.042449 F\n0.565151 0.500000 0.150723 F\n0.697076 0.826204 0.137054 F\n0.452246 0.305241 0.902705 F\n0.884101 0.804280 0.542449 F\n",
"nsites": 34,
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"elements": [
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],
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"density": 6.404695222685523,
"density_atomic": 0.06374823210397924,
"volume": 533.3481239847226,
"volume_molar": 9.446757284464505,
"formula_full": "Rb2 Th6 F26",
"formula_reduced": "RbTh3F13",
"formula_anonymous": "AB3C13",
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"spacegroup": 26
},
{
"id": "jvasp-96932",
"created_at": "2022-09-04T14:35:53.969376Z",
"updated_at": "2022-09-04T14:35:53.969401Z",
"structure_string": "Rb2 Th4 P6 O24\n1.0\n6.469550 0.000000 -2.517021\n-0.629910 7.961376 -1.619068\n0.003553 0.009205 9.582049\nRb Th P O\n2 4 6 24\ndirect\n0.597460 0.250000 0.000000 Rb\n0.402540 0.750000 -0.000000 Rb\n0.247148 0.533543 0.308498 Th\n0.061349 0.033543 0.308498 Th\n0.938650 0.966458 0.691502 Th\n0.752851 0.466458 0.691502 Th\n0.099300 0.250000 -0.000000 P\n0.398732 0.818507 0.618890 P\n0.601267 0.181494 0.381110 P\n0.220157 0.318507 0.618890 P\n0.779843 0.681494 0.381110 P\n0.900701 0.750000 0.000000 P\n0.400267 0.067395 0.306926 O\n0.044576 0.245192 0.143813 O\n0.174414 0.331205 0.448882 O\n0.740863 0.153685 0.287677 O\n0.274468 0.831205 0.448882 O\n0.449892 0.629480 0.593981 O\n0.855911 0.870521 0.406019 O\n0.599733 0.932606 0.693074 O\n0.245073 0.411466 0.052213 O\n0.754927 0.588536 0.947787 O\n0.546814 0.653685 0.287677 O\n0.099237 0.745192 0.143813 O\n0.807140 0.911466 0.052213 O\n0.550108 0.370521 0.406019 O\n0.955424 0.754809 0.856187 O\n0.900763 0.254809 0.856187 O\n0.906659 0.567395 0.306926 O\n0.259137 0.846316 0.712323 O\n0.144089 0.129480 0.593981 O\n0.093340 0.432606 0.693074 O\n0.192859 0.088535 0.947787 O\n0.453186 0.346316 0.712323 O\n0.725531 0.168796 0.551118 O\n0.825586 0.668796 0.551118 O\n",
"nsites": 36,
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"elements": [
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],
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"density_atomic": 0.07291579151440813,
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"formula_full": "Rb2 Th4 P6 O24",
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},
{
"id": "jvasp-31188",
"created_at": "2022-09-04T14:38:34.930432Z",
"updated_at": "2022-09-04T14:38:34.930459Z",
"structure_string": "Rb2 Te4 O12\n1.0\n7.416520 -0.000000 0.000000\n3.708260 6.422896 0.000000\n3.708260 2.140965 6.055564\nRb Te O\n2 4 12\ndirect\n0.375000 0.375001 0.375000 Rb\n0.625000 0.625001 0.625000 Rb\n0.500000 0.000000 0.000000 Te\n-0.000000 0.500000 0.000000 Te\n0.000000 0.000000 0.000000 Te\n-0.000000 0.000000 0.500000 Te\n0.070410 0.070411 0.679589 O\n0.070410 0.679590 0.070410 O\n0.070410 0.679591 0.679589 O\n0.929589 0.320411 0.929589 O\n0.679590 0.070410 0.070410 O\n0.929590 0.320411 0.320410 O\n0.320410 0.929591 0.929589 O\n0.679590 0.679590 0.070410 O\n0.679590 0.070411 0.679589 O\n0.929589 0.929591 0.320410 O\n0.320410 0.320411 0.929589 O\n0.320410 0.929591 0.320410 O\n",
"nsites": 18,
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"density": 5.027371978807379,
"density_atomic": 0.06240032397377279,
"volume": 288.46004080949166,
"volume_molar": 9.650816496611684,
"formula_full": "Rb2 Te4 O12",
"formula_reduced": "Rb(TeO3)2",
"formula_anonymous": "AB2C6",
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"spacegroup": 227
},
{
"id": "jvasp-38285",
"created_at": "2022-09-04T14:37:54.668311Z",
"updated_at": "2022-09-04T14:37:54.668323Z",
"structure_string": "Rb1 Te1 O3\n1.0\n4.161307 0.000000 0.000000\n-0.000000 4.161307 -0.000000\n0.000000 -0.000000 4.161307\nRb Te O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Te\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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"spacegroup": 221
},
{
"id": "jvasp-38297",
"created_at": "2022-09-04T14:37:50.166468Z",
"updated_at": "2022-09-04T14:37:50.166496Z",
"structure_string": "Rb2 Te6 Mo6\n1.0\n0.000000 9.910055 0.001075\n4.619385 0.000000 0.000000\n0.000000 -4.954170 -8.582796\nRb Te Mo\n2 6 6\ndirect\n0.666666 0.000000 0.333333 Rb\n0.333335 0.499999 0.666668 Rb\n0.643713 0.000000 0.700155 Te\n0.056444 0.000000 0.356286 Te\n0.299841 0.000000 0.943559 Te\n0.356283 0.499999 0.299840 Te\n0.700166 0.499999 0.056445 Te\n0.943555 0.499999 0.643719 Te\n0.166176 0.000000 0.139613 Mo\n0.860388 0.000000 0.026563 Mo\n0.973438 0.000000 0.833826 Mo\n0.833827 0.499999 0.860387 Mo\n0.026559 0.499999 0.166173 Mo\n0.139614 0.499999 0.973442 Mo\n",
"nsites": 14,
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"elements": [
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],
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"density": 6.391304408650401,
"density_atomic": 0.035634134503349554,
"volume": 392.8817184737298,
"volume_molar": 16.899921504853523,
"formula_full": "Rb2 Te6 Mo6",
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"formula_anonymous": "AB3C3",
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"spacegroup": 176
},
{
"id": "jvasp-118763",
"created_at": "2022-09-04T14:38:47.365929Z",
"updated_at": "2022-09-04T14:38:47.365939Z",
"structure_string": "Rb1 Te1 Mo1\n1.0\n3.029976 -0.000000 -0.000000\n0.000000 3.029976 0.000000\n0.000000 0.000000 9.281397\nRb Te Mo\n1 1 1\ndirect\n0.000000 0.000000 0.620334 Rb\n0.000000 0.000000 -0.009545 Te\n0.000000 0.000000 0.276311 Mo\n",
"nsites": 3,
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"elements": [
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"formula_full": "Rb1 Te1 Mo1",
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},
{
"id": "jvasp-115735",
"created_at": "2022-09-04T14:38:50.074192Z",
"updated_at": "2022-09-04T14:38:50.074210Z",
"structure_string": "Rb1 Te1 Br1\n1.0\n6.246555 -0.000000 -0.000000\n-3.123278 5.409675 0.000000\n0.000000 -0.000000 3.212937\nRb Te Br\n1 1 1\ndirect\n0.333333 0.666667 0.000000 Rb\n0.666667 0.333333 0.000000 Te\n0.000000 0.000000 0.000000 Br\n",
"nsites": 3,
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"elements": [
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],
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"volume": 108.57102867881271,
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"formula_full": "Rb1 Te1 Br1",
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"spacegroup": 187
}
]
}