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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4356",
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"results": [
{
"id": "jvasp-48956",
"created_at": "2022-09-04T14:35:44.592873Z",
"updated_at": "2022-09-04T14:35:44.592900Z",
"structure_string": "Li2 V4 O6 F2\n1.0\n5.928670 0.053396 0.049155\n3.007439 5.110220 0.009338\n2.934236 1.734491 4.848143\nLi V O F\n2 4 6 2\ndirect\n0.503155 0.003152 0.991788 Li\n0.866765 0.366749 0.384503 Li\n0.130153 0.630108 0.611722 V\n0.993648 0.025235 0.987397 V\n0.499339 -0.000712 0.519140 V\n0.525209 0.493698 0.987390 V\n0.737840 0.748054 0.757087 O\n0.744220 0.244329 0.778476 O\n0.734775 0.234723 0.250617 O\n0.248081 0.237778 0.757034 O\n0.257254 0.757322 0.754209 O\n0.248305 0.748287 0.225075 O\n0.742987 0.768275 0.247789 F\n0.268277 0.243009 0.247760 F\n",
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{
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"structure_string": "Fe8 O6 F10\n1.0\n4.809491 0.000142 -0.074341\n0.000004 5.848272 -0.000194\n-0.835215 -2.924294 9.594422\nFe O F\n8 6 10\ndirect\n0.491520 0.883065 0.246132 Fe\n0.492394 0.601186 0.745907 Fe\n0.492441 0.144688 0.745848 Fe\n0.491426 0.363043 0.246165 Fe\n0.005146 0.501055 0.002365 Fe\n0.986788 0.246586 0.493200 Fe\n0.010775 0.002341 0.004279 Fe\n0.029854 0.758193 0.516414 Fe\n0.690828 0.173367 0.346765 O\n0.702685 0.424659 0.849379 O\n0.285946 0.321483 0.642905 O\n0.320951 0.831122 0.662260 O\n0.312207 0.577737 0.155514 O\n0.299472 0.074761 0.149615 O\n0.794867 0.047250 0.597982 F\n0.193831 0.945490 0.398406 F\n0.193818 0.452896 0.398401 F\n0.203499 0.699880 0.899740 F\n0.203692 0.199849 0.899646 F\n0.702725 0.924487 0.848932 F\n0.700696 0.676158 0.352305 F\n0.794861 0.550722 0.597986 F\n0.799702 0.299628 0.099986 F\n0.799875 0.800353 0.099874 F\n",
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{
"id": "jvasp-98589",
"created_at": "2022-09-04T14:35:45.138519Z",
"updated_at": "2022-09-04T14:35:45.138536Z",
"structure_string": "V6 H4 O13\n1.0\n5.956577 1.913178 -1.141721\n-5.956577 1.913178 1.141721\n0.009878 -0.000000 10.357191\nV H O\n6 4 13\ndirect\n0.644425 0.355576 -0.002132 V\n0.352493 0.647508 0.012404 V\n0.591554 0.408447 0.615469 V\n0.410808 0.589193 0.364857 V\n0.291825 0.708176 0.637009 V\n0.715223 0.284777 0.386470 V\n0.819626 0.180375 0.876877 H\n0.922469 0.077532 0.496282 H\n0.507422 0.492579 0.804621 H\n0.581133 0.418868 0.195144 H\n0.662839 0.337162 0.199815 O\n0.333705 0.666296 0.802737 O\n0.382360 0.617641 0.194353 O\n0.588654 0.411347 0.804405 O\n0.500856 0.499145 0.008113 O\n0.185915 0.814086 0.001194 O\n0.760252 0.239749 0.595962 O\n0.894152 0.105849 0.400135 O\n0.127066 0.872935 0.616423 O\n0.433576 0.566425 0.579215 O\n0.818763 0.181238 0.971909 O\n0.251272 0.748729 0.403677 O\n0.567712 0.432289 0.415304 O\n",
"nsites": 23,
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"elements": [
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"density_atomic": 0.09741466296797237,
"volume": 236.10408637929442,
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"formula_full": "V6 H4 O13",
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"spacegroup": 8
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{
"id": "jvasp-90524",
"created_at": "2022-09-04T14:35:45.278185Z",
"updated_at": "2022-09-04T14:35:45.278210Z",
"structure_string": "Li3 Mn1 O1 F4\n1.0\n-3.597187 0.000171 -0.000327\n-1.798305 5.067712 0.072409\n-1.798098 -0.072319 -5.064633\nLi Mn O F\n3 1 1 4\ndirect\n0.785615 0.579386 0.849406 Li\n0.436079 0.749065 0.378797 Li\n0.599463 0.252882 0.548230 Li\n0.981038 0.025900 0.012083 Mn\n0.528294 0.945922 -0.002470 O\n0.868873 0.890120 0.372165 F\n0.698402 0.405785 0.197429 F\n0.333209 0.610130 0.723483 F\n0.058081 0.206982 0.676881 F\n",
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"volume": 92.30232764639592,
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"formula_full": "Li3 Mn1 O1 F4",
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"formula_anonymous": "ABC3D4",
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"spacegroup": 8
},
{
"id": "jvasp-92438",
"created_at": "2022-09-04T14:35:45.335625Z",
"updated_at": "2022-09-04T14:35:45.335641Z",
"structure_string": "Nd3 In1 N1\n1.0\n6.574522 -0.808058 2.006837\n-0.714346 4.110512 -0.323823\n3.163111 -1.074182 6.153580\nNd In N\n3 1 1\ndirect\n0.540671 0.821943 0.103624 Nd\n0.246017 0.033199 0.821095 Nd\n-0.030157 0.258158 0.545176 Nd\n0.735858 0.538992 0.342085 In\n0.007606 0.847706 0.688021 N\n",
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"elements": [
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],
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},
{
"id": "jvasp-43809",
"created_at": "2022-09-04T14:35:45.567322Z",
"updated_at": "2022-09-04T14:35:45.567344Z",
"structure_string": "Li4 Ti5 Fe3 O16\n1.0\n-5.798190 -0.000065 0.000332\n2.898953 4.923639 -0.030716\n-0.000791 0.042391 -9.521583\nLi Ti Fe O\n4 5 3 16\ndirect\n0.330410 0.660836 0.108403 Li\n0.013121 0.026272 0.006934 Li\n0.004711 0.009448 0.505282 Li\n0.660653 0.321325 0.599911 Li\n0.823969 0.647949 0.276997 Ti\n0.159102 0.807642 0.782255 Ti\n0.330720 0.661454 0.499986 Ti\n0.648518 0.807646 0.782254 Ti\n0.654632 0.309291 0.006508 Ti\n0.825755 0.172627 0.287365 Fe\n0.179696 0.359416 0.787784 Fe\n0.346855 0.172628 0.287364 Fe\n0.834506 0.669037 0.907659 O\n0.336762 0.176741 0.900743 O\n0.664385 0.328793 0.399211 O\n0.966102 0.482625 0.158934 O\n0.516510 0.482628 0.158937 O\n0.165898 0.331822 0.394836 O\n0.481511 0.510407 0.654249 O\n0.479273 0.958577 0.663318 O\n0.667485 0.838029 0.403716 O\n0.006860 0.013732 0.194385 O\n0.004518 0.009064 0.694020 O\n0.339919 0.679858 0.906674 O\n0.518477 0.036966 0.165732 O\n0.170523 0.838028 0.403716 O\n0.028873 0.510408 0.654247 O\n0.839951 0.176741 0.900740 O\n",
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],
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"density": 4.219083048610551,
"density_atomic": 0.10301135264812633,
"volume": 271.8147008091859,
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"formula_full": "Li4 Ti5 Fe3 O16",
"formula_reduced": "Li4Ti5Fe3O16",
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{
"id": "jvasp-91354",
"created_at": "2022-09-04T14:35:45.741531Z",
"updated_at": "2022-09-04T14:35:45.741556Z",
"structure_string": "V4 Cu3 S8\n1.0\n5.878234 0.000000 3.001727\n2.157070 5.542904 3.032335\n-0.033149 -0.011112 7.321404\nV Cu S\n4 3 8\ndirect\n0.014706 -0.031075 0.001663 V\n0.527530 0.952738 0.992201 V\n0.515135 0.547773 0.989233 V\n0.947857 0.547773 0.989233 V\n0.333071 0.909290 0.424566 Cu\n0.887114 0.333644 0.434119 Cu\n0.345122 0.333644 0.434119 Cu\n0.232137 0.240148 0.788776 S\n0.738937 0.240148 0.788777 S\n0.246230 0.755996 0.245514 S\n0.752258 0.755996 0.245515 S\n0.244107 0.740247 0.771535 S\n0.270457 0.283242 0.175844 S\n0.753261 0.764652 0.728825 S\n0.760072 0.257279 0.222577 S\n",
"nsites": 15,
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"elements": [
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],
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"density_atomic": 0.06270189730222561,
"volume": 239.22721074450763,
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"formula_full": "V4 Cu3 S8",
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{
"id": "jvasp-92507",
"created_at": "2022-09-04T14:35:46.333032Z",
"updated_at": "2022-09-04T14:35:46.333062Z",
"structure_string": "Ca1 Co1 O3\n1.0\n3.393348 0.756612 0.448832\n0.920504 3.352603 0.448832\n0.804447 0.766287 5.968458\nCa Co O\n1 1 3\ndirect\n0.276758 0.276759 0.067339 Ca\n0.808225 0.808222 0.554606 Co\n0.878669 0.878667 0.249798 O\n0.681833 0.681833 0.857958 O\n0.115021 0.115021 0.544602 O\n",
"nsites": 5,
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"elements": [
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],
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"density": 3.9401434328390303,
"density_atomic": 0.08070265976996291,
"volume": 61.95582666360858,
"volume_molar": 7.462134181408241,
"formula_full": "Ca1 Co1 O3",
"formula_reduced": "CaCoO3",
"formula_anonymous": "ABC3",
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"spacegroup": 8
},
{
"id": "jvasp-85534",
"created_at": "2022-09-04T14:35:46.694978Z",
"updated_at": "2022-09-04T14:35:46.695005Z",
"structure_string": "Pb4 Se1 Br6\n1.0\n4.256782 0.000057 1.001664\n1.175193 8.154535 4.553146\n-0.068603 -0.168781 9.838541\nPb Se Br\n4 1 6\ndirect\n0.004763 -0.005843 -0.008378 Pb\n0.257282 0.499335 0.981038 Pb\n0.495642 0.533861 0.470032 Pb\n0.765441 0.010708 0.453529 Pb\n0.968955 0.747067 0.310186 Se\n0.359720 0.119184 0.156534 Br\n0.632567 0.819819 0.910330 Br\n0.120845 0.176384 0.576974 Br\n0.888207 0.401980 0.816746 Br\n0.301946 0.762737 0.628534 Br\n0.682066 0.401050 0.229834 Br\n",
"nsites": 11,
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"elements": [
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],
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"density": 6.67386188053753,
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"volume": 345.14847112432693,
"volume_molar": 18.895751601904475,
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{
"id": "jvasp-85739",
"created_at": "2022-09-04T14:35:47.281780Z",
"updated_at": "2022-09-04T14:35:47.281805Z",
"structure_string": "Sm3 In3 Pt3\n1.0\n8.315379 -1.876837 -1.197191\n-6.014712 7.954258 -0.059171\n-0.496587 -0.350102 4.040340\nSm In Pt\n3 3 3\ndirect\n-0.034962 0.672233 0.649289 Sm\n0.690232 -0.000003 0.011620 Sm\n0.289964 0.234980 -0.188160 Sm\n0.085070 0.417428 0.709021 In\n0.550962 0.642238 0.442170 In\n0.429987 0.075932 0.381713 In\n-0.053160 -0.108819 0.140154 Pt\n0.754050 0.347777 0.043636 Pt\n0.287858 0.718234 0.310561 Pt\n",
"nsites": 9,
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"elements": [
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],
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"density": 10.706660146648797,
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"volume": 214.15166487114223,
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"formula_full": "Sm3 In3 Pt3",
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{
"id": "jvasp-48505",
"created_at": "2022-09-04T14:35:48.028431Z",
"updated_at": "2022-09-04T14:35:48.028458Z",
"structure_string": "Mn6 O2 F10\n1.0\n-4.703769 4.703769 3.213362\n0.104038 4.820842 -3.232938\n-4.820842 -0.104038 -3.232938\nMn O F\n6 2 10\ndirect\n0.844886 0.672705 0.672705 Mn\n0.652973 0.342045 0.342045 Mn\n0.318145 0.656562 0.656562 Mn\n0.175082 0.339030 0.339030 Mn\n0.496745 0.998469 0.998469 Mn\n0.997255 0.984435 0.984435 Mn\n0.048299 0.756202 0.756202 O\n0.363367 0.444908 0.444908 O\n0.677085 0.637782 0.035574 F\n0.336074 0.976460 0.360988 F\n0.700186 0.105099 0.105099 F\n0.968860 0.228787 0.228787 F\n0.677085 0.035574 0.637782 F\n0.309492 0.879475 0.879475 F\n0.336074 0.360988 0.976460 F\n0.989111 0.300054 0.695071 F\n0.620165 0.586354 0.586354 F\n0.989111 0.695071 0.300054 F\n",
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"volume": 224.43065167753448,
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"formula_full": "Mn6 O2 F10",
"formula_reduced": "Mn3OF5",
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"spacegroup": 8
},
{
"id": "jvasp-87325",
"created_at": "2022-09-04T14:35:48.969859Z",
"updated_at": "2022-09-04T14:35:48.969880Z",
"structure_string": "Ca4 Cr2 O16\n1.0\n4.113227 3.811738 -0.647808\n-4.113227 3.811738 0.647808\n-0.243816 0.000000 9.538470\nCa Cr O\n4 2 16\ndirect\n0.563484 0.948862 0.459329 Ca\n0.563482 0.948864 0.959329 Ca\n0.051139 0.436517 0.459329 Ca\n0.051136 0.436518 0.959329 Ca\n0.165773 0.834227 0.157687 Cr\n0.165774 0.834227 0.657687 Cr\n0.630935 0.544923 0.885454 O\n0.630938 0.544920 0.385454 O\n0.455078 0.369065 0.885454 O\n0.455080 0.369063 0.385454 O\n0.795186 0.204814 0.643061 O\n0.795184 0.204816 0.143060 O\n0.348741 0.651259 0.612570 O\n0.187004 0.812997 0.334944 O\n0.187003 0.812998 0.834943 O\n0.833323 0.166678 0.286149 O\n0.894774 0.744833 0.586886 O\n0.894772 0.744834 0.086887 O\n0.255167 0.105226 0.586886 O\n0.255166 0.105229 0.086887 O\n0.348741 0.651260 0.112569 O\n0.833321 0.166679 0.786149 O\n",
"nsites": 22,
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],
"chemical_system": "Ca-Cr-O",
"density": 2.900252925089758,
"density_atomic": 0.07385163903903998,
"volume": 297.8945394613409,
"volume_molar": 8.154376583052589,
"formula_full": "Ca4 Cr2 O16",
"formula_reduced": "Ca2CrO8",
"formula_anonymous": "AB2C8",
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"spacegroup": 8
}
]
}