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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=157",
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{
"id": "jvasp-46443",
"created_at": "2022-09-04T14:38:29.237637Z",
"updated_at": "2022-09-04T14:38:29.237654Z",
"structure_string": "Li6 Cr3 Fe3 O12\n1.0\n-5.042962 -0.002962 0.023969\n-0.009837 -5.672877 -0.011749\n2.475078 1.430079 7.044325\nLi Cr Fe O\n6 3 3 12\ndirect\n0.005554 0.754455 0.502359 Li\n-0.005554 0.245545 0.497641 Li\n0.000587 0.920922 0.167473 Li\n0.001276 0.412969 0.167193 Li\n-0.000587 0.079078 0.832526 Li\n-0.001277 0.587031 0.832806 Li\n0.500000 0.500000 0.500000 Cr\n0.499603 0.675628 0.166447 Cr\n0.500397 0.324372 0.833552 Cr\n0.500065 0.160720 0.166213 Fe\n0.499934 0.839280 0.833787 Fe\n0.499999 -0.000000 0.500000 Fe\n0.724115 0.624911 0.993319 O\n0.268923 0.039133 0.667223 O\n0.275988 0.544302 0.673877 O\n0.724853 0.794241 0.663205 O\n0.730250 0.289804 0.662634 O\n0.269749 0.710195 0.337365 O\n0.731076 0.960866 0.332776 O\n0.275147 0.205758 0.336795 O\n0.268310 0.878571 0.000813 O\n0.724012 0.455698 0.326122 O\n0.275885 0.375089 0.006681 O\n0.731690 0.121429 0.999186 O\n",
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{
"id": "jvasp-45309",
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"updated_at": "2022-09-04T14:38:29.296949Z",
"structure_string": "Na2 Er2 P4 S12\n1.0\n6.870589 -0.021137 0.019367\n0.259062 7.062878 -0.049517\n0.345416 0.465865 9.107299\nNa Er P S\n2 2 4 12\ndirect\n0.465105 0.397611 0.271645 Na\n0.534895 0.602387 0.728355 Na\n0.976384 0.119333 0.746707 Er\n0.023617 0.880667 0.253293 Er\n0.349868 0.961418 0.971057 P\n0.650132 0.038582 0.028943 P\n0.932527 0.390483 0.434674 P\n0.067474 0.609517 0.565326 P\n0.700616 0.294448 0.929931 S\n0.299384 0.705552 0.070069 S\n0.351250 0.970023 0.747713 S\n0.145951 0.178929 0.437914 S\n0.701599 0.295299 0.561446 S\n0.836039 0.833021 0.947303 S\n0.870259 0.519341 0.238917 S\n0.298401 0.704700 0.438554 S\n0.648751 0.029976 0.252287 S\n0.129741 0.480658 0.761083 S\n0.854049 0.821070 0.562086 S\n0.163962 0.166979 0.052697 S\n",
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{
"id": "jvasp-57393",
"created_at": "2022-09-04T14:38:29.733570Z",
"updated_at": "2022-09-04T14:38:29.733587Z",
"structure_string": "V2 Sn2 P2 O10\n1.0\n5.302298 0.016885 -0.006615\n-0.567087 6.488782 0.022614\n-2.084643 -2.863030 5.876169\nV Sn P O\n2 2 2 10\ndirect\n0.839505 0.366705 0.242477 V\n0.160495 0.633294 0.757521 V\n0.411899 0.218570 0.458837 Sn\n0.588100 0.781430 0.541162 Sn\n0.827261 0.809495 0.104760 P\n0.172739 0.190505 0.895239 P\n0.220106 0.502656 0.459218 O\n0.893780 0.067508 0.274161 O\n0.921884 0.243267 0.957753 O\n0.078116 0.756732 0.042246 O\n0.106220 0.932492 0.725837 O\n0.762378 0.661908 0.222342 O\n0.237622 0.338092 0.777657 O\n0.575943 0.761707 0.889875 O\n0.779893 0.497344 0.540781 O\n0.424057 0.238292 0.110123 O\n",
"nsites": 16,
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"elements": [
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{
"id": "jvasp-31900",
"created_at": "2022-09-04T14:38:29.945567Z",
"updated_at": "2022-09-04T14:38:29.945600Z",
"structure_string": "Nb2 Te8 I12\n1.0\n7.547478 0.188301 -2.340290\n-2.736860 9.788761 -4.120818\n-0.135647 -0.147704 12.125172\nNb Te I\n2 8 12\ndirect\n0.489243 0.346909 0.458421 Nb\n0.510757 0.653092 0.541579 Nb\n0.569814 0.855424 0.803756 Te\n0.737962 0.519222 0.420158 Te\n0.262038 0.480778 0.579841 Te\n0.519221 0.210280 0.627379 Te\n0.794002 0.556175 0.665548 Te\n0.480779 0.789721 0.372620 Te\n0.430186 0.144576 0.196244 Te\n0.205997 0.443826 0.334451 Te\n0.141107 0.183414 0.016674 I\n0.244006 0.829710 0.552059 I\n0.841368 0.352716 0.858009 I\n0.858893 0.816586 0.983326 I\n0.279324 0.270173 0.760276 I\n0.808443 0.911732 0.648651 I\n0.692934 0.225124 0.107540 I\n0.191557 0.088269 0.351349 I\n0.158632 0.647285 0.141991 I\n0.307066 0.774876 0.892459 I\n0.720676 0.729827 0.239724 I\n0.755994 0.170290 0.447941 I\n",
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{
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"created_at": "2022-09-04T14:38:30.014287Z",
"updated_at": "2022-09-04T14:38:30.014314Z",
"structure_string": "In2 P2 H4 O10\n1.0\n5.455107 -0.005643 -0.022942\n-1.635469 5.321089 -0.018991\n-0.526353 -1.057879 6.483888\nIn P H O\n2 2 4 10\ndirect\n0.140429 0.732393 0.222265 In\n0.859573 0.267608 0.777736 In\n0.768632 0.124511 0.255245 P\n0.231369 0.875490 0.744756 P\n0.585989 0.628360 0.214320 H\n0.414012 0.371641 0.785681 H\n0.408133 0.353380 0.261660 H\n0.591869 0.646621 0.738341 H\n0.924840 0.229847 0.467881 O\n0.075162 0.770154 0.532120 O\n0.527131 0.930220 0.743873 O\n0.472870 0.069781 0.256128 O\n0.141456 0.661347 0.882649 O\n0.822980 0.879531 0.155855 O\n0.858545 0.338654 0.117352 O\n0.425492 0.538547 0.269768 O\n0.177022 0.120470 0.844145 O\n0.574509 0.461454 0.730232 O\n",
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"density_atomic": 0.09577774895044809,
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{
"id": "jvasp-59038",
"created_at": "2022-09-04T14:38:30.450535Z",
"updated_at": "2022-09-04T14:38:30.450559Z",
"structure_string": "Nb2 Te2 Cl18\n1.0\n6.313943 0.026095 -0.076156\n-0.146171 9.249209 0.020547\n-3.062022 -3.212645 10.285143\nNb Te Cl\n2 2 18\ndirect\n0.118796 0.255737 0.702407 Nb\n0.881203 0.744262 0.297593 Nb\n0.301380 0.322549 0.168134 Te\n0.698619 0.677450 0.831866 Te\n0.378717 0.143152 0.607309 Cl\n0.621283 0.856847 0.392691 Cl\n0.399747 0.302685 0.917481 Cl\n0.600253 0.697314 0.082518 Cl\n0.877962 0.392895 0.829556 Cl\n0.122037 0.607104 0.170443 Cl\n0.972759 0.035871 0.721214 Cl\n0.027241 0.964128 0.278786 Cl\n0.746564 0.490594 0.294587 Cl\n0.057481 0.804953 0.937795 Cl\n0.849862 0.245374 0.509575 Cl\n0.150137 0.754625 0.490425 Cl\n0.719046 0.639517 0.618748 Cl\n0.280954 0.360482 0.381252 Cl\n0.520285 0.902820 0.834617 Cl\n0.479714 0.097179 0.165382 Cl\n0.253436 0.509405 0.705412 Cl\n0.942518 0.195046 0.062204 Cl\n",
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{
"id": "jvasp-9479",
"created_at": "2022-09-04T14:38:30.645508Z",
"updated_at": "2022-09-04T14:38:30.645524Z",
"structure_string": "Zn2 Mo2 F10\n1.0\n5.377391 -0.313721 1.351612\n-1.488183 4.899091 1.283837\n0.709735 -0.767984 7.465366\nZn Mo F\n2 2 10\ndirect\n0.270662 0.477680 0.230871 Zn\n0.732794 0.520440 0.768486 Zn\n0.001742 -0.000937 -0.000327 Mo\n0.501747 -0.000931 0.499678 Mo\n0.140039 0.872421 0.744269 F\n0.863456 0.125714 0.255078 F\n0.681676 0.846536 0.663456 F\n0.902152 0.287796 0.860151 F\n0.342463 0.308973 0.963473 F\n0.686338 0.360218 0.550637 F\n0.661035 0.689153 0.035872 F\n0.317153 0.637936 0.448704 F\n0.101351 0.710338 0.139179 F\n0.321824 0.151621 0.335892 F\n",
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{
"id": "jvasp-39401",
"created_at": "2022-09-04T14:38:31.163122Z",
"updated_at": "2022-09-04T14:38:31.163146Z",
"structure_string": "Li1 In1 I4 O12\n1.0\n4.859398 -0.000537 -0.002564\n0.074789 6.502526 -0.018558\n0.114977 0.741456 8.585878\nLi In I O\n1 1 4 12\ndirect\n0.500000 0.000000 0.500000 Li\n0.500001 0.500000 0.500000 In\n0.513692 0.802127 0.157730 I\n0.009238 0.280291 0.235934 I\n0.990764 0.719710 0.764067 I\n0.486309 0.197874 0.842271 I\n0.777384 0.508361 0.694273 O\n0.777655 0.936632 0.690682 O\n0.350890 0.230175 0.637712 O\n0.243662 0.734383 0.601528 O\n0.756339 0.265617 0.398473 O\n0.222617 0.491640 0.305727 O\n0.222346 0.063369 0.309319 O\n0.288057 0.960495 0.899189 O\n0.711944 0.039506 0.100811 O\n0.746597 0.619665 0.071202 O\n0.649112 0.769826 0.362289 O\n0.253404 0.380335 0.928798 O\n",
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"density": 5.026064594269621,
"density_atomic": 0.06633042899612128,
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"formula_full": "Li1 In1 I4 O12",
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{
"id": "jvasp-9373",
"created_at": "2022-09-04T14:38:31.375282Z",
"updated_at": "2022-09-04T14:38:31.375313Z",
"structure_string": "Na8 Ge2 O8\n1.0\n5.707978 -0.000650 0.007868\n2.127569 5.311143 0.015008\n2.766079 0.278844 8.186115\nNa Ge O\n8 2 8\ndirect\n0.979382 0.234216 0.065529 Na\n0.448136 0.739991 0.103608 Na\n0.891082 0.772008 0.319515 Na\n0.258395 0.743208 0.512346 Na\n0.741605 0.256791 0.487655 Na\n0.551865 0.260007 0.896393 Na\n0.020619 0.765783 0.934472 Na\n0.108918 0.227990 0.680486 Na\n0.657127 0.779173 0.744345 Ge\n0.342874 0.220826 0.255656 Ge\n0.335855 0.971668 0.862529 O\n0.797065 0.524444 0.875918 O\n0.202936 0.475554 0.124083 O\n0.861780 0.970793 0.695200 O\n0.138221 0.029206 0.304801 O\n0.647090 0.654824 0.570973 O\n0.664146 0.028331 0.137472 O\n0.352911 0.345175 0.429028 O\n",
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},
{
"id": "jvasp-53523",
"created_at": "2022-09-04T14:38:31.384020Z",
"updated_at": "2022-09-04T14:38:31.384048Z",
"structure_string": "Mo8 Ru4 Se16\n1.0\n6.697261 -0.023335 -0.014546\n-0.828577 9.224842 0.001738\n-0.123769 -0.016795 9.789582\nMo Ru Se\n8 4 16\ndirect\n0.766530 0.519566 0.067065 Mo\n0.766526 0.021394 0.566548 Mo\n0.583155 0.108109 0.346498 Mo\n0.540898 0.325316 0.912931 Mo\n0.459101 0.674685 0.087069 Mo\n0.416844 0.891892 0.653502 Mo\n0.233473 0.978607 0.433451 Mo\n0.233470 0.480435 0.932934 Mo\n0.451331 0.180881 0.591260 Ru\n0.411087 0.391302 0.162541 Ru\n0.588913 0.608699 0.837458 Ru\n0.548669 0.819120 0.408740 Ru\n0.279711 0.748778 0.869917 Se\n0.209310 0.215237 0.008594 Se\n0.261832 0.252590 0.381411 Se\n0.218337 0.711743 0.495040 Se\n0.367327 0.431306 0.695142 Se\n0.373585 0.921545 0.199309 Se\n0.626414 0.078456 0.800690 Se\n0.869146 0.447832 0.818901 Se\n0.790689 0.784763 0.991404 Se\n0.781662 0.288258 0.504959 Se\n0.738168 0.747411 0.618588 Se\n0.720288 0.251222 0.130082 Se\n0.130854 0.552168 0.181098 Se\n0.868480 0.946447 0.318696 Se\n0.632672 0.568694 0.304858 Se\n0.131520 0.053554 0.681304 Se\n",
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"volume": 604.6059845473496,
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"formula_full": "Mo8 Ru4 Se16",
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"formula_anonymous": "AB2C4",
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{
"id": "jvasp-118985",
"created_at": "2022-09-04T14:38:31.572291Z",
"updated_at": "2022-09-04T14:38:31.572304Z",
"structure_string": "Li7 Co5 O12\n1.0\n4.894048 0.006213 -0.509632\n-1.764182 5.282111 -1.045505\n-0.013274 -0.046468 7.483968\nLi Co O\n7 5 12\ndirect\n0.503675 0.090733 0.839788 Li\n0.498102 0.579426 0.842736 Li\n0.501488 0.248694 0.499373 Li\n0.498513 0.751305 0.500629 Li\n0.501900 0.420573 0.157266 Li\n0.496326 0.909266 0.160214 Li\n0.000000 0.500000 0.000000 Li\n0.001340 0.334899 0.330245 Co\n-0.001339 0.665100 0.669756 Co\n0.000545 0.830149 0.329967 Co\n0.000000 0.000000 0.000000 Co\n-0.000544 0.169851 0.670034 Co\n0.773719 0.729531 0.092066 O\n0.223878 0.797089 0.905954 O\n0.226282 0.270468 0.907935 O\n0.214688 0.948746 0.578711 O\n0.217749 0.450084 0.581217 O\n0.219980 0.116468 0.245938 O\n0.228739 0.622809 0.262788 O\n0.771262 0.377190 0.737213 O\n0.780021 0.883531 0.754064 O\n0.782253 0.549915 0.418784 O\n0.785313 0.051253 0.421290 O\n0.776124 0.202910 0.094047 O\n",
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{
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"created_at": "2022-09-04T14:38:31.564796Z",
"updated_at": "2022-09-04T14:38:31.564819Z",
"structure_string": "Na4 Ca2 P4 O14\n1.0\n5.422774 -0.002673 -0.001068\n0.133083 7.075323 0.056314\n0.131904 3.160811 8.324604\nNa Ca P O\n4 2 4 14\ndirect\n0.237637 0.868550 0.552900 Na\n0.726172 0.213821 0.013019 Na\n0.762361 0.131450 0.447099 Na\n0.273826 0.786179 0.986980 Na\n0.236588 0.246447 0.717784 Ca\n0.763410 0.753553 0.282214 Ca\n0.244194 0.119809 0.171462 P\n0.755804 0.880191 0.828537 P\n0.290070 0.429734 0.311869 P\n0.709928 0.570267 0.688130 P\n0.285055 0.131145 -0.001793 O\n0.273342 0.356922 0.155638 O\n0.982074 0.059768 0.233267 O\n0.843897 0.365589 0.748316 O\n0.565792 0.447175 0.337364 O\n0.834829 0.733143 0.545650 O\n0.714943 0.868855 0.001792 O\n0.017924 0.940232 0.766732 O\n0.726656 0.643078 0.844360 O\n0.156101 0.634411 0.251683 O\n0.447429 0.000074 0.286539 O\n0.552570 -0.000073 0.713460 O\n0.434206 0.552826 0.662634 O\n0.165169 0.266857 0.454349 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Na",
"Ca",
"P",
"O"
],
"chemical_system": "Ca-Na-O-P",
"density": 2.7116411839106056,
"density_atomic": 0.07536844952734365,
"volume": 318.4356338827537,
"volume_molar": 7.990267542674033,
"formula_full": "Na4 Ca2 P4 O14",
"formula_reduced": "Na2CaP2O7",
"formula_anonymous": "AB2C2D7",
"energy_above_hull": 1.9144653266666665,
"spacegroup": 2
}
]
}