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{
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"results": [
{
"id": "jvasp-95094",
"created_at": "2022-09-04T14:36:13.156171Z",
"updated_at": "2022-09-04T14:36:13.156191Z",
"structure_string": "Na2 Te3 Mo3 O16\n1.0\n6.628266 -0.075991 -3.050736\n-3.791317 6.629742 -0.687678\n-0.021667 -0.016236 7.668097\nNa Te Mo O\n2 3 3 16\ndirect\n0.500000 0.913162 0.086837 Na\n-0.000001 0.514316 0.485683 Na\n-0.000001 0.003850 0.996150 Te\n0.502453 0.394097 0.050892 Te\n0.497546 0.949107 0.605902 Te\n0.986704 0.489598 0.972282 Mo\n0.013295 0.027717 0.510401 Mo\n0.500000 0.422062 0.577937 Mo\n0.367106 0.569913 0.536450 O\n0.654969 0.934736 0.876098 O\n0.345031 0.123901 0.065263 O\n0.078274 0.289789 0.043371 O\n0.187284 0.706642 0.186193 O\n0.921725 0.956629 0.710210 O\n0.335660 0.294052 0.755996 O\n0.122462 0.555493 0.829810 O\n0.664339 0.244003 0.705948 O\n0.812715 0.813806 0.293357 O\n0.773501 0.379979 0.112536 O\n0.770864 0.597151 0.844575 O\n0.877538 0.170190 0.444506 O\n0.229135 0.155425 0.402849 O\n0.632894 0.463549 0.430086 O\n0.226498 0.887463 0.620021 O\n",
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"O"
],
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"density_atomic": 0.07184464527634007,
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"volume_molar": 8.38217063615069,
"formula_full": "Na2 Te3 Mo3 O16",
"formula_reduced": "Na2Te3Mo3O16",
"formula_anonymous": "A2B3C3D16",
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"spacegroup": 5
},
{
"id": "jvasp-44492",
"created_at": "2022-09-04T14:37:30.731247Z",
"updated_at": "2022-09-04T14:37:30.731267Z",
"structure_string": "Mn3 Cr2 Co3 O16\n1.0\n5.624928 -0.012678 -0.022173\n-2.823442 4.890179 0.000029\n-0.035792 -0.020590 8.652552\nMn Cr Co O\n3 2 3 16\ndirect\n0.662292 0.831154 0.213826 Mn\n0.831796 0.663108 0.713163 Mn\n0.831790 0.168701 0.713168 Mn\n0.326374 0.663198 0.493126 Cr\n0.659943 0.329982 0.997927 Cr\n0.168801 0.832671 0.208759 Co\n0.168801 0.336148 0.208760 Co\n0.336198 0.168105 0.708354 Co\n0.828208 0.656818 0.098414 O\n0.668955 0.334487 0.597125 O\n0.519766 0.043265 0.839267 O\n0.519768 0.476514 0.839263 O\n0.660598 0.830309 0.597110 O\n0.341250 0.170637 0.100421 O\n0.478455 0.519205 0.340032 O\n0.003701 0.001854 0.316923 O\n0.170588 0.340161 0.598749 O\n0.000976 0.000493 0.820477 O\n0.964117 0.482066 0.840758 O\n0.332308 0.666167 0.098108 O\n0.048067 0.524038 0.334803 O\n0.170590 0.830444 0.598747 O\n0.478459 0.959266 0.340027 O\n0.828210 0.171411 0.098415 O\n",
"nsites": 24,
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"elements": [
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],
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"density_atomic": 0.10097183959137576,
"volume": 237.69003414343948,
"volume_molar": 5.964178511920828,
"formula_full": "Mn3 Cr2 Co3 O16",
"formula_reduced": "Mn3Cr2Co3O16",
"formula_anonymous": "A2B3C3D16",
"energy_above_hull": 3.6930273010057473,
"spacegroup": 8
},
{
"id": "jvasp-30361",
"created_at": "2022-09-04T14:37:03.831394Z",
"updated_at": "2022-09-04T14:37:03.831427Z",
"structure_string": "Mn3 V3 Te2 O16\n1.0\n5.746824 -0.001694 0.057113\n-2.877424 4.971915 0.011827\n0.102139 0.065175 10.619413\nMn V Te O\n3 3 2 16\ndirect\n0.681915 0.836380 0.208516 Mn\n0.818344 0.650113 0.711551 Mn\n0.817920 0.169136 0.711760 Mn\n0.203743 0.842300 0.221950 V\n0.187117 0.365413 0.229620 V\n0.340994 0.170426 0.735388 V\n0.322630 0.662552 0.519411 Te\n0.681287 0.339310 0.014738 Te\n0.854240 0.671930 0.108522 O\n0.648913 0.325293 0.617921 O\n0.496231 0.017089 0.817779 O\n0.496317 0.478978 0.817177 O\n0.658239 0.830189 0.612703 O\n0.337571 0.167605 0.110007 O\n0.485305 0.506159 0.312379 O\n0.003256 0.002994 0.296062 O\n0.149876 0.318368 0.608299 O\n0.983006 0.991741 0.796960 O\n0.962527 0.481534 0.802511 O\n0.351930 0.671576 0.115607 O\n0.023296 0.509966 0.321501 O\n0.150471 0.833793 0.608488 O\n0.490617 0.980484 0.310290 O\n0.854262 0.176881 0.106577 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
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"V",
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],
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"density": 4.537318304511753,
"density_atomic": 0.07912185029706263,
"volume": 303.32961008737925,
"volume_molar": 7.611223369258807,
"formula_full": "Mn3 V3 Te2 O16",
"formula_reduced": "Mn3V3(TeO8)2",
"formula_anonymous": "A2B3C3D16",
"energy_above_hull": 3.441489410727969,
"spacegroup": 1
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{
"id": "jvasp-44389",
"created_at": "2022-09-04T14:38:11.105912Z",
"updated_at": "2022-09-04T14:38:11.105937Z",
"structure_string": "Mn2 Fe3 Co3 O16\n1.0\n5.579642 -0.000484 0.001238\n-2.789367 4.859806 0.084478\n-0.002102 -0.153420 8.611279\nMn Fe Co O\n2 3 3 16\ndirect\n0.663880 0.327780 0.486887 Mn\n0.331811 0.663639 0.991007 Mn\n0.834254 0.668522 0.210402 Fe\n0.168510 0.832954 0.712284 Fe\n0.664424 0.832953 0.712287 Fe\n0.336293 0.169789 0.208614 Co\n0.833480 0.169790 0.208616 Co\n0.167042 0.334100 0.708842 Co\n0.166107 0.828067 0.101090 O\n0.334367 0.668752 0.600030 O\n0.480357 0.520035 0.838587 O\n0.039666 0.520040 0.838584 O\n0.833864 0.667751 0.598936 O\n0.166820 0.333665 0.100197 O\n0.959113 0.480262 0.340036 O\n-0.000523 -0.001039 0.317540 O\n0.832143 0.164515 0.600419 O\n-0.000549 -0.001083 0.820327 O\n0.482458 0.964937 0.842350 O\n0.670057 0.340139 0.099645 O\n0.520792 0.041593 0.337509 O\n0.332356 0.164517 0.600416 O\n0.521135 0.480266 0.340029 O\n0.661943 0.828071 0.101091 O\n",
"nsites": 24,
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"elements": [
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"Co",
"O"
],
"chemical_system": "Co-Fe-Mn-O",
"density": 5.049212203018993,
"density_atomic": 0.10275534981142555,
"volume": 233.5644814994479,
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"formula_full": "Mn2 Fe3 Co3 O16",
"formula_reduced": "Mn2Fe3Co3O16",
"formula_anonymous": "A2B3C3D16",
"energy_above_hull": 3.51561623678161,
"spacegroup": 8
},
{
"id": "jvasp-43117",
"created_at": "2022-09-04T14:35:56.628150Z",
"updated_at": "2022-09-04T14:35:56.628175Z",
"structure_string": "Mn3 Cr2 Sb3 O16\n1.0\n6.050181 0.027054 0.038028\n-3.001662 5.199077 -0.000013\n0.055950 0.032304 8.835247\nMn Cr Sb O\n3 2 3 16\ndirect\n0.660847 0.830431 0.214491 Mn\n0.826798 0.661613 0.708986 Mn\n0.826795 0.165198 0.708987 Mn\n0.342179 0.671098 0.497254 Cr\n0.684248 0.342133 0.981261 Cr\n0.163325 0.830491 0.209588 Sb\n0.163324 0.332850 0.209589 Sb\n0.328339 0.164176 0.708442 Sb\n0.831357 0.668223 0.104204 O\n0.676308 0.338162 0.597647 O\n0.537343 0.049742 0.840884 O\n0.537346 0.487616 0.840882 O\n0.669986 0.835002 0.601273 O\n0.336064 0.168046 0.093739 O\n0.477917 0.526405 0.339470 O\n0.012206 0.006106 0.329801 O\n0.160521 0.336068 0.601694 O\n0.982437 0.991225 0.815152 O\n0.950610 0.475314 0.831954 O\n0.317511 0.658768 0.084196 O\n0.044736 0.522372 0.350871 O\n0.160523 0.824469 0.601695 O\n0.477921 0.951533 0.339467 O\n0.831356 0.163152 0.104205 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
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"Sb",
"O"
],
"chemical_system": "Cr-Mn-O-Sb",
"density": 5.3047688628690475,
"density_atomic": 0.08613926475227533,
"volume": 278.61858432412555,
"volume_molar": 6.991168054799223,
"formula_full": "Mn3 Cr2 Sb3 O16",
"formula_reduced": "Mn3Cr2Sb3O16",
"formula_anonymous": "A2B3C3D16",
"energy_above_hull": 3.4233879510057474,
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},
{
"id": "jvasp-25908",
"created_at": "2022-09-04T14:38:30.257124Z",
"updated_at": "2022-09-04T14:38:30.257155Z",
"structure_string": "Na6 Sb6 As4 O28\n1.0\n0.000000 6.528426 0.017275\n7.349502 0.000000 0.000000\n0.000000 -3.762415 -12.083091\nNa Sb As O\n6 6 4 28\ndirect\n0.000000 0.000000 0.000000 Na\n0.538157 0.713288 0.433280 Na\n0.461844 0.286712 0.566719 Na\n0.538157 0.786712 0.933280 Na\n0.000000 0.500000 0.500000 Na\n0.461844 0.213288 0.066719 Na\n0.022871 0.240793 0.252497 Sb\n0.022871 0.259206 0.752497 Sb\n0.977130 0.759206 0.747503 Sb\n0.977130 0.740793 0.247503 Sb\n0.000000 0.000000 0.500000 Sb\n0.000000 0.500000 0.000000 Sb\n0.582486 0.235649 0.338006 As\n0.582487 0.264351 0.838006 As\n0.417515 0.764351 0.661993 As\n0.417514 0.735649 0.161993 As\n0.074724 0.005753 0.803215 O\n0.038589 0.705526 0.907319 O\n0.925278 0.505753 0.696784 O\n0.961412 0.294473 0.092680 O\n0.294986 0.719813 0.763344 O\n0.105026 0.310345 0.916125 O\n0.705015 0.219813 0.736655 O\n0.608229 0.404138 0.429631 O\n0.894975 0.689655 0.083875 O\n0.074723 0.494247 0.303215 O\n0.961413 0.205526 0.592680 O\n0.682260 0.470468 0.904301 O\n0.391772 0.904138 0.070369 O\n0.038589 0.794473 0.407319 O\n0.671673 0.686809 0.248402 O\n0.328328 0.313190 0.751597 O\n0.894975 0.810344 0.583875 O\n0.391772 0.595862 0.570369 O\n0.682259 0.029532 0.404301 O\n0.317742 0.970468 0.595698 O\n0.105026 0.189655 0.416125 O\n0.671674 0.813190 0.748402 O\n0.608229 0.095862 0.929631 O\n0.705015 0.280186 0.236655 O\n0.317742 0.529532 0.095698 O\n0.925277 0.994246 0.196784 O\n0.294986 0.780186 0.263344 O\n0.328327 0.186810 0.251597 O\n",
"nsites": 44,
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"elements": [
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],
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"density": 4.632860216683636,
"density_atomic": 0.07595672206334864,
"volume": 579.2772358357379,
"volume_molar": 7.928384211969386,
"formula_full": "Na6 Sb6 As4 O28",
"formula_reduced": "Na3Sb3(AsO7)2",
"formula_anonymous": "A2B3C3D14",
"energy_above_hull": 2.3011667181818183,
"spacegroup": 14
},
{
"id": "jvasp-116663",
"created_at": "2022-09-04T14:38:43.683175Z",
"updated_at": "2022-09-04T14:38:43.683184Z",
"structure_string": "Pr2 Mn3 Sb3 O14\n1.0\n6.334739 -0.026860 3.502028\n1.980434 6.017269 3.502028\n-0.016102 -0.011600 7.331903\nPr Mn Sb O\n2 3 3 14\ndirect\n0.500000 -0.000000 0.000000 Pr\n-0.000000 0.500000 0.000000 Pr\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 -0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Sb\n-0.000000 0.500000 0.500000 Sb\n0.500000 -0.000000 0.500000 Sb\n0.434873 0.818775 0.416866 O\n0.829485 0.414446 0.825117 O\n0.414446 0.829485 0.825117 O\n0.818775 0.434873 0.416866 O\n0.825509 0.825509 0.447443 O\n0.412079 0.412079 0.848401 O\n0.181225 0.565127 0.583134 O\n0.170515 0.585554 0.174883 O\n0.585554 0.170515 0.174883 O\n0.897471 0.897472 0.855593 O\n0.174491 0.174491 0.552557 O\n0.587921 0.587921 0.151599 O\n0.565127 0.181225 0.583134 O\n0.102528 0.102528 0.144407 O\n",
"nsites": 22,
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"elements": [
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],
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"density_atomic": 0.07846383445305559,
"volume": 280.3839520889393,
"volume_molar": 7.675052846930402,
"formula_full": "Pr2 Mn3 Sb3 O14",
"formula_reduced": "Pr2Mn3Sb3O14",
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},
{
"id": "jvasp-120534",
"created_at": "2022-09-04T14:38:53.051098Z",
"updated_at": "2022-09-04T14:38:53.051134Z",
"structure_string": "Er2 Mn3 Sb3 O14\n1.0\n6.238309 -0.021754 3.398148\n1.978289 5.916362 3.398148\n-0.023640 -0.016960 7.211651\nEr Mn Sb O\n2 3 3 14\ndirect\n0.500000 0.000000 0.500000 Er\n0.000000 0.500000 0.500000 Er\n0.000000 -0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.000000 Sb\n0.500000 0.000000 -0.000000 Sb\n0.500000 0.500000 0.500000 Sb\n0.414885 0.833007 0.327696 O\n0.822955 0.433422 0.907778 O\n0.405195 0.405195 0.354722 O\n0.830509 0.830509 0.939732 O\n0.166993 0.585115 0.672304 O\n0.566579 0.177045 0.092222 O\n0.169491 0.169492 0.060268 O\n0.177045 0.566579 0.092222 O\n0.594805 0.594805 0.645278 O\n0.433422 0.822955 0.907778 O\n0.116695 0.116695 0.628871 O\n0.883305 0.883305 0.371129 O\n0.585115 0.166993 0.672304 O\n0.833007 0.414886 0.327696 O\n",
"nsites": 22,
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],
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"density": 6.765198232933609,
"density_atomic": 0.08233496212709492,
"volume": 267.20119171294556,
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"formula_full": "Er2 Mn3 Sb3 O14",
"formula_reduced": "Er2Mn3Sb3O14",
"formula_anonymous": "A2B3C3D14",
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"spacegroup": 12
},
{
"id": "jvasp-89420",
"created_at": "2022-09-04T14:36:20.048666Z",
"updated_at": "2022-09-04T14:36:20.048681Z",
"structure_string": "K6 U6 Si4 O26\n1.0\n9.617710 0.000000 0.000000\n-4.808855 8.329182 -0.000000\n0.000000 -0.000000 8.437848\nK U Si O\n6 6 4 26\ndirect\n0.959566 0.574138 0.750000 K\n0.040433 0.614570 0.250000 K\n0.425862 0.385430 0.750000 K\n0.385429 0.425862 0.250000 K\n0.614570 0.040433 0.750000 K\n0.574137 0.959566 0.250000 K\n0.755757 0.755757 0.000000 U\n1.000000 0.244243 0.000000 U\n0.244243 -0.000000 0.500000 U\n0.244243 -0.000000 0.000000 U\n0.755757 0.755757 0.500000 U\n1.000000 0.244243 0.500000 U\n0.666667 0.333333 0.446046 Si\n0.333333 0.666667 0.946046 Si\n0.666667 0.333333 0.053955 Si\n0.333333 0.666667 0.553955 Si\n0.176993 0.503494 0.489438 O\n0.194561 0.194561 0.500000 O\n0.743889 0.747401 0.750000 O\n0.503494 0.176993 0.989438 O\n0.673498 0.496505 0.510562 O\n0.003511 0.256111 0.750000 O\n0.252599 0.996488 0.750000 O\n0.823007 0.326502 0.510562 O\n0.194561 0.194561 0.000000 O\n0.747400 0.743889 0.250000 O\n0.176993 0.503494 0.010562 O\n0.496504 0.673498 0.489438 O\n0.256111 0.003512 0.250000 O\n0.496504 0.673498 0.010562 O\n0.823007 0.326502 0.989438 O\n0.673498 0.496505 0.989438 O\n1.000000 0.805438 0.500000 O\n0.503494 0.176993 0.510562 O\n0.805438 -0.000000 0.500000 O\n0.666667 0.333333 0.250000 O\n1.000000 0.805438 0.000000 O\n0.326502 0.823007 0.489438 O\n0.326502 0.823007 0.010562 O\n0.996488 0.252599 0.250000 O\n0.805438 -0.000000 0.000000 O\n0.333333 0.666667 0.750000 O\n",
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],
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"formula_full": "K6 U6 Si4 O26",
"formula_reduced": "K3U3Si2O13",
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},
{
"id": "jvasp-99308",
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