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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=4374",
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"results": [
{
"id": "jvasp-116836",
"created_at": "2022-09-04T14:38:45.621155Z",
"updated_at": "2022-09-04T14:38:45.621184Z",
"structure_string": "Li2 Fe5 O5 F7\n1.0\n5.682960 -0.011106 -1.053254\n-1.154814 5.623807 -1.018802\n-0.035843 -0.037564 6.193701\nLi Fe O F\n2 5 5 7\ndirect\n0.867251 0.676251 0.403532 Li\n0.323330 0.607275 0.137529 Li\n0.657734 0.384910 0.840990 Fe\n0.137698 0.328429 0.579344 Fe\n0.621300 0.149230 0.347359 Fe\n0.985489 0.010259 0.013799 Fe\n0.400603 0.860963 0.675260 Fe\n0.838871 0.403959 0.608064 O\n0.402941 0.579815 0.776186 O\n0.957891 0.125566 0.315514 O\n0.391064 0.157449 0.575095 O\n0.667227 0.043560 0.882248 O\n0.118831 0.316474 0.959092 F\n0.182108 0.616211 0.398826 F\n0.580287 0.403310 0.177272 F\n0.059848 0.885273 0.712143 F\n0.613905 0.825983 0.430203 F\n0.873222 0.678053 0.042417 F\n0.320411 0.947034 0.125141 F\n",
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"density_atomic": 0.09625392324665814,
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"formula_full": "Li2 Fe5 O5 F7",
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"spacegroup": 1
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{
"id": "jvasp-112834",
"created_at": "2022-09-04T14:38:44.220185Z",
"updated_at": "2022-09-04T14:38:44.220200Z",
"structure_string": "Li5 Fe5 Cu2 O12\n1.0\n5.032818 -0.047152 0.331781\n-2.336519 4.457820 0.331781\n0.097385 0.159304 9.504516\nLi Fe Cu O\n5 5 2 12\ndirect\n0.834741 0.666468 0.258446 Li\n0.682140 0.858181 0.739216 Li\n0.333531 0.165259 0.741554 Li\n0.141818 0.317859 0.260785 Li\n0.081109 0.918889 0.500000 Li\n0.922410 0.077590 -0.000000 Fe\n-0.008004 0.515812 0.741220 Fe\n0.484187 0.008003 0.258780 Fe\n0.583217 0.416783 -0.000000 Fe\n0.419467 0.580531 0.500000 Fe\n0.252467 0.747533 -0.000000 Cu\n0.750661 0.249339 0.500000 Cu\n0.203615 0.043458 0.123953 O\n0.075013 0.249071 0.612336 O\n0.750928 0.924986 0.387665 O\n0.845176 0.326719 0.129686 O\n0.673281 0.154824 0.870314 O\n0.697952 0.539509 0.622844 O\n0.460490 0.302047 0.377156 O\n0.581097 0.744269 0.111049 O\n0.255730 0.418902 0.888951 O\n0.352095 0.829672 0.629529 O\n0.170327 0.647903 0.370471 O\n0.956541 0.796384 0.876048 O\n",
"nsites": 24,
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"elements": [
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],
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"density_atomic": 0.11339186085325795,
"volume": 211.65540294870678,
"volume_molar": 5.310910954881797,
"formula_full": "Li5 Fe5 Cu2 O12",
"formula_reduced": "Li5Fe5(CuO6)2",
"formula_anonymous": "A2B5C5D12",
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"spacegroup": 5
},
{
"id": "jvasp-42960",
"created_at": "2022-09-04T14:37:27.086838Z",
"updated_at": "2022-09-04T14:37:27.086861Z",
"structure_string": "Li5 V5 Cr2 O12\n1.0\n5.051971 0.232972 -0.139580\n2.414861 4.443549 0.139580\n-0.675478 1.078510 9.671259\nLi V Cr O\n5 5 2 12\ndirect\n0.158659 0.671136 0.512627 Li\n0.328022 0.830745 0.990475 Li\n0.671136 0.158659 0.987373 Li\n0.830744 0.328023 0.509525 Li\n0.922175 0.922175 0.750000 Li\n-0.002016 0.502460 0.989654 V\n0.502460 -0.002015 0.510346 V\n0.422032 0.422032 0.250000 V\n0.582968 0.582969 0.750000 V\n0.070518 0.070518 0.250000 V\n0.757361 0.757361 0.250000 Cr\n0.251057 0.251058 0.750000 Cr\n0.791227 0.034786 0.379211 O\n0.963815 0.211727 0.872058 O\n0.211727 0.963816 0.627942 O\n0.127438 0.367885 0.367644 O\n0.367885 0.127438 0.132356 O\n0.296172 0.531165 0.870637 O\n0.531165 0.296173 0.629363 O\n0.470142 0.715694 0.370928 O\n0.715694 0.470142 0.129072 O\n0.619773 0.875048 0.870627 O\n0.875048 0.619773 0.629373 O\n0.034786 0.791228 0.120789 O\n",
"nsites": 24,
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"elements": [
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],
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"density_atomic": 0.11423075265030518,
"volume": 210.1010405969332,
"volume_molar": 5.271908501238359,
"formula_full": "Li5 V5 Cr2 O12",
"formula_reduced": "Li5V5Cr2O12",
"formula_anonymous": "A2B5C5D12",
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},
{
"id": "jvasp-42985",
"created_at": "2022-09-04T14:37:06.369233Z",
"updated_at": "2022-09-04T14:37:06.369259Z",
"structure_string": "Li5 Nb2 V5 O12\n1.0\n5.063938 0.228894 -0.130710\n2.416417 4.456097 0.130710\n-0.650208 1.038165 9.944854\nLi Nb V O\n5 2 5 12\ndirect\n0.163289 0.678581 0.505018 Li\n0.315802 0.825928 0.991523 Li\n0.678582 0.163287 0.994982 Li\n0.825929 0.315801 0.508476 Li\n0.925266 0.925264 0.750000 Li\n0.251272 0.251271 0.750000 Nb\n0.730501 0.730499 0.250000 Nb\n0.584571 0.584570 0.750000 V\n0.442314 0.442313 0.250000 V\n0.082576 0.082576 0.250000 V\n0.997539 0.502214 0.985418 V\n0.502216 0.997538 0.514581 V\n0.781391 0.045214 0.375012 O\n0.958428 0.199450 0.875527 O\n0.199452 0.958427 0.624473 O\n0.146051 0.363879 0.373777 O\n0.363879 0.146051 0.126222 O\n0.292636 0.551046 0.872791 O\n0.551047 0.292635 0.627209 O\n0.449104 0.707108 0.391754 O\n0.707109 0.449103 0.108246 O\n0.629357 0.876485 0.872592 O\n0.876487 0.629355 0.627407 O\n0.045215 0.781391 0.124988 O\n",
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"elements": [
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"density_atomic": 0.1103469476796107,
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"formula_full": "Li5 Nb2 V5 O12",
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"formula_anonymous": "A2B5C5D12",
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{
"id": "jvasp-44518",
"created_at": "2022-09-04T14:37:15.954640Z",
"updated_at": "2022-09-04T14:37:15.954665Z",
"structure_string": "Li5 Nb2 Fe5 O12\n1.0\n5.036491 -0.017115 0.011216\n-2.481048 -4.525033 -0.014256\n-1.936933 0.041881 -9.735011\nLi Nb Fe O\n5 2 5 12\ndirect\n0.684148 0.855872 0.492311 Li\n0.813625 0.137046 0.011345 Li\n0.157268 0.845568 0.001959 Li\n0.303322 0.121366 0.493687 Li\n0.933902 0.845351 0.252858 Li\n0.267368 0.501032 0.247751 Nb\n0.742296 0.465304 0.745765 Nb\n0.446800 0.879782 0.749843 Fe\n0.004749 0.503671 0.492523 Fe\n0.587467 0.184396 0.247333 Fe\n0.049427 0.173737 0.752332 Fe\n0.494057 0.493171 0.025013 Fe\n0.031542 0.803688 0.622848 O\n0.180973 0.148684 0.128501 O\n0.984003 0.195023 0.378314 O\n0.360061 0.493896 0.626406 O\n0.126546 0.503808 0.878399 O\n0.541380 0.840165 0.132088 O\n0.286114 0.811734 0.374980 O\n0.705439 0.179733 0.599184 O\n0.468357 0.181970 0.879175 O\n0.891210 0.504529 0.127991 O\n0.650132 0.513838 0.374341 O\n0.789818 0.816642 0.865051 O\n",
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"density_atomic": 0.10802045214576869,
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"formula_full": "Li5 Nb2 Fe5 O12",
"formula_reduced": "Li5Nb2Fe5O12",
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{
"id": "jvasp-42677",
"created_at": "2022-09-04T14:36:17.902213Z",
"updated_at": "2022-09-04T14:36:17.902229Z",
"structure_string": "Li5 Fe5 Co2 O12\n1.0\n5.005573 0.182492 -0.126308\n2.349191 4.423840 0.126308\n-0.661511 1.056211 9.548827\nLi Fe Co O\n5 5 2 12\ndirect\n0.166486 0.662332 0.506376 Li\n0.325933 0.844539 0.992660 Li\n0.662332 0.166485 0.993625 Li\n0.844540 0.325933 0.507341 Li\n0.914662 0.914661 0.750000 Li\n0.073891 0.073891 0.250000 Fe\n0.995087 0.512133 0.993814 Fe\n0.512134 0.995087 0.506186 Fe\n0.421520 0.421520 0.250000 Fe\n0.572494 0.572493 0.750000 Fe\n0.752896 0.752896 0.250000 Co\n0.253000 0.252999 0.750000 Co\n0.787773 0.037701 0.382749 O\n0.950303 0.235913 0.877708 O\n0.235914 0.950303 0.622293 O\n0.146190 0.354283 0.377407 O\n0.354283 0.146190 0.122593 O\n0.277464 0.546040 0.876789 O\n0.546041 0.277464 0.623212 O\n0.459371 0.717864 0.377710 O\n0.717864 0.459371 0.122290 O\n0.632797 0.859320 0.875662 O\n0.859321 0.632797 0.624338 O\n0.037701 0.787773 0.117252 O\n",
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"elements": [
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],
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"density_atomic": 0.11651158153130073,
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"formula_full": "Li5 Fe5 Co2 O12",
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{
"id": "jvasp-48172",
"created_at": "2022-09-04T14:36:08.859022Z",
"updated_at": "2022-09-04T14:36:08.859050Z",
"structure_string": "Li5 Ti2 Co5 O12\n1.0\n5.028144 0.007586 -0.001870\n-2.515833 -4.408964 0.010575\n-1.888921 0.059361 -9.548883\nLi Ti Co O\n5 2 5 12\ndirect\n0.332049 0.157523 0.993577 Li\n0.819828 0.148275 0.506137 Li\n0.176076 0.858579 0.503614 Li\n0.918208 0.835455 0.749995 Li\n0.687664 0.868234 0.996904 Li\n0.253422 0.505498 0.750068 Ti\n0.753262 0.506071 0.250120 Ti\n0.405345 0.818896 0.245502 Co\n0.499431 0.504993 0.499583 Co\n0.582794 0.165510 0.750015 Co\n0.100447 0.194361 0.254125 Co\n0.011651 0.515671 0.000705 Co\n0.524004 0.829423 0.633825 O\n0.228748 0.182411 0.633464 O\n0.479573 0.183031 0.369470 O\n0.118542 0.511550 0.377234 O\n0.613640 0.479423 0.864953 O\n0.308660 0.833497 0.866349 O\n0.955561 0.187827 0.866567 O\n0.026986 0.832564 0.128166 O\n0.389283 0.504158 0.122696 O\n0.711182 0.185903 0.131119 O\n0.863652 0.475907 0.635078 O\n0.797228 0.829641 0.370677 O\n",
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"formula_full": "Li5 Ti2 Co5 O12",
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{
"id": "jvasp-44619",
"created_at": "2022-09-04T14:38:14.982496Z",
"updated_at": "2022-09-04T14:38:14.982506Z",
"structure_string": "Li5 Cr2 Fe5 O12\n1.0\n5.022532 0.178713 -0.127437\n2.353194 4.440749 0.127437\n-0.665628 1.062783 9.567632\nLi Cr Fe O\n5 2 5 12\ndirect\n0.167464 0.676785 0.509155 Li\n0.324233 0.840288 0.991614 Li\n0.676785 0.167464 0.990845 Li\n0.840289 0.324234 0.508386 Li\n0.920142 0.920142 0.750000 Li\n0.249192 0.249192 0.750000 Cr\n0.749767 0.749767 0.250000 Cr\n0.418555 0.418555 0.250000 Fe\n0.511334 0.000792 0.509799 Fe\n0.580196 0.580196 0.750000 Fe\n0.079213 0.079213 0.250000 Fe\n0.000792 0.511334 0.990201 Fe\n0.804799 0.026237 0.371784 O\n0.951003 0.225451 0.866154 O\n0.225451 0.951003 0.633846 O\n0.112711 0.368446 0.367450 O\n0.368446 0.112711 0.132550 O\n0.301094 0.530619 0.870082 O\n0.530619 0.301094 0.629918 O\n0.452476 0.728905 0.368612 O\n0.728904 0.452477 0.131388 O\n0.612409 0.867875 0.866148 O\n0.867875 0.612409 0.633852 O\n0.026237 0.804799 0.128216 O\n",
"nsites": 24,
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"formula_anonymous": "A2B5C5D12",
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},
{
"id": "jvasp-42990",
"created_at": "2022-09-04T14:38:07.965962Z",
"updated_at": "2022-09-04T14:38:07.965988Z",
"structure_string": "Li5 V5 Co2 O12\n1.0\n5.009767 0.156729 -0.107095\n2.327843 4.438859 0.107095\n-0.632691 1.010196 9.585209\nLi V Co O\n5 5 2 12\ndirect\n0.158860 0.662921 0.507584 Li\n0.325747 0.844002 0.991846 Li\n0.662920 0.158861 0.992417 Li\n0.844001 0.325748 0.508154 Li\n0.923617 0.923619 0.750000 Li\n0.428475 0.428475 0.250000 V\n0.581157 0.581158 0.750000 V\n0.075933 0.075933 0.250000 V\n0.000183 0.505426 0.983576 V\n0.505425 0.000184 0.516424 V\n0.749846 0.749846 0.250000 Co\n0.246340 0.246340 0.750000 Co\n0.777246 0.059287 0.377606 O\n0.940156 0.221381 0.875256 O\n0.221379 0.940157 0.624744 O\n0.151582 0.352121 0.374192 O\n0.352121 0.151582 0.125808 O\n0.289539 0.547632 0.874472 O\n0.547631 0.289540 0.625529 O\n0.442401 0.727113 0.377952 O\n0.727113 0.442401 0.122048 O\n0.632384 0.856655 0.875033 O\n0.856654 0.632385 0.624967 O\n0.059286 0.777246 0.122394 O\n",
"nsites": 24,
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"formula_full": "Li5 V5 Co2 O12",
"formula_reduced": "Li5V5(CoO6)2",
"formula_anonymous": "A2B5C5D12",
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{
"id": "jvasp-119380",
"created_at": "2022-09-04T14:38:50.975959Z",
"updated_at": "2022-09-04T14:38:50.975989Z",
"structure_string": "Li5 Co2 Ni5 O12\n1.0\n4.869269 0.011357 0.880826\n-2.435908 4.315724 -0.435852\n0.015425 0.048334 9.524204\nLi Co Ni O\n5 2 5 12\ndirect\n0.166483 0.838819 0.007174 Li\n0.669970 0.834999 0.493062 Li\n0.087072 0.173436 0.249823 Li\n0.339146 0.173848 0.493675 Li\n0.836472 0.172217 0.007331 Li\n0.250837 0.501597 0.750274 Co\n0.750915 0.497409 0.250258 Co\n0.914633 0.833637 0.749422 Ni\n0.420872 0.838002 0.250078 Ni\n0.580728 0.164115 0.749655 Ni\n0.001828 0.492738 0.495427 Ni\n0.488716 0.493346 0.005374 Ni\n0.706912 0.180179 0.366748 O\n0.043597 0.801981 0.367649 O\n0.285732 0.823694 0.638306 O\n0.129212 0.521627 0.130677 O\n0.764521 0.805794 0.133367 O\n0.532452 0.812038 0.864818 O\n0.393731 0.524785 0.367356 O\n0.618650 0.500970 0.628932 O\n0.477431 0.178249 0.136376 O\n0.870011 0.493142 0.864705 O\n0.224521 0.188783 0.866152 O\n0.964381 0.192233 0.633370 O\n",
"nsites": 24,
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"elements": [
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],
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"formula_full": "Li5 Co2 Ni5 O12",
"formula_reduced": "Li5Co2Ni5O12",
"formula_anonymous": "A2B5C5D12",
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},
{
"id": "jvasp-116888",
"created_at": "2022-09-04T14:38:51.544533Z",
"updated_at": "2022-09-04T14:38:51.544563Z",
"structure_string": "Li5 Mn5 Sn2 O12\n1.0\n5.321577 -0.040792 0.493416\n-2.729315 4.568554 0.493416\n0.074343 0.129851 10.131786\nLi Mn Sn O\n5 5 2 12\ndirect\n0.807861 0.675477 0.250323 Li\n0.667766 0.824434 0.744942 Li\n0.324522 0.192138 0.749678 Li\n0.175565 0.332232 0.255060 Li\n0.079185 0.920812 0.500001 Li\n0.915468 0.084533 0.000000 Mn\n0.005465 0.513834 0.740030 Mn\n0.486164 0.994533 0.259971 Mn\n0.580368 0.419631 0.000000 Mn\n0.422821 0.577178 0.500001 Mn\n0.247768 0.752230 0.000000 Sn\n0.753688 0.246312 0.500001 Sn\n0.202570 0.023689 0.126930 O\n0.060188 0.230022 0.616134 O\n0.769977 0.939811 0.383868 O\n0.877228 0.382273 0.123886 O\n0.617727 0.122772 0.876115 O\n0.691434 0.526689 0.615004 O\n0.473310 0.308565 0.384997 O\n0.524950 0.708705 0.122832 O\n0.291294 0.475048 0.877169 O\n0.395631 0.847274 0.610863 O\n0.152724 0.604367 0.389139 O\n0.976310 0.797429 0.873072 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Sn",
"O"
],
"chemical_system": "Li-Mn-O-Sn",
"density": 5.017458351835507,
"density_atomic": 0.09815542692612084,
"volume": 244.5101687353895,
"volume_molar": 6.135311055732779,
"formula_full": "Li5 Mn5 Sn2 O12",
"formula_reduced": "Li5Mn5(SnO6)2",
"formula_anonymous": "A2B5C5D12",
"energy_above_hull": 2.817820066954023,
"spacegroup": 5
},
{
"id": "jvasp-119386",
"created_at": "2022-09-04T14:38:52.638212Z",
"updated_at": "2022-09-04T14:38:52.638236Z",
"structure_string": "Li5 Mn2 Ni5 O12\n1.0\n4.993132 0.014220 0.454945\n-2.623052 4.248666 0.454945\n-0.007866 -0.014149 9.582469\nLi Mn Ni O\n5 2 5 12\ndirect\n0.830625 0.666326 0.255522 Li\n0.673823 0.834399 0.742960 Li\n0.333674 0.169375 0.744477 Li\n0.165601 0.326177 0.257039 Li\n0.084733 0.915268 0.500000 Li\n0.746850 0.253149 0.500000 Mn\n0.250160 0.749841 -0.000001 Mn\n0.581558 0.418442 -0.000001 Ni\n0.487373 0.995378 0.256677 Ni\n0.419442 0.580559 0.500000 Ni\n0.916017 0.083983 -0.000000 Ni\n0.004623 0.512627 0.743322 Ni\n0.215455 0.024106 0.118930 O\n0.033494 0.232873 0.618427 O\n0.767127 0.966506 0.381573 O\n0.878142 0.383796 0.115010 O\n0.616204 0.121858 0.884989 O\n0.707453 0.524724 0.617151 O\n0.475276 0.292547 0.382848 O\n0.528112 0.709451 0.114933 O\n0.290549 0.471889 0.885066 O\n0.401716 0.883903 0.617459 O\n0.116098 0.598285 0.382540 O\n0.975893 0.784545 0.881069 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Ni",
"O"
],
"chemical_system": "Li-Mn-Ni-O",
"density": 5.135881502205599,
"density_atomic": 0.11781712013130109,
"volume": 203.70553934142373,
"volume_molar": 5.11143096460738,
"formula_full": "Li5 Mn2 Ni5 O12",
"formula_reduced": "Li5Mn2Ni5O12",
"formula_anonymous": "A2B5C5D12",
"energy_above_hull": 2.385633686781609,
"spacegroup": 5
}
]
}