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{
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{
"id": "mp-862770",
"created_at": "2022-09-04T14:45:00.033992Z",
"structure_string": "Tc6 Ir2\n1.0\n2.769817 -4.797463 0.000000\n2.769817 4.797463 0.000000\n0.000000 0.000000 4.363531\nTc Ir\n6 2\ndirect\n0.838188 0.161812 0.750000 Tc\n0.323625 0.161812 0.750000 Tc\n0.838188 0.676375 0.750000 Tc\n0.161812 0.838188 0.250000 Tc\n0.676375 0.838188 0.250000 Tc\n0.161812 0.323625 0.250000 Tc\n0.666667 0.333333 0.250000 Ir\n0.333333 0.666667 0.750000 Ir\n",
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{
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{
"id": "mp-8888",
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"structure_string": "Ho4 Al12 Pb8 O32\n1.0\n9.528038 0.000000 0.000000\n0.000000 9.528038 0.000000\n0.000000 0.000000 9.528038\nHo Al Pb O\n4 12 8 32\ndirect\n0.250000 0.750000 0.250000 Ho\n0.750000 0.250000 0.250000 Ho\n0.750000 0.750000 0.750000 Ho\n0.250000 0.250000 0.750000 Ho\n0.500000 0.000000 0.250000 Al\n0.750000 0.500000 0.000000 Al\n0.250000 0.500000 0.000000 Al\n0.000000 0.250000 0.500000 Al\n0.000000 0.750000 0.500000 Al\n0.500000 0.000000 0.750000 Al\n0.000000 0.500000 0.250000 Al\n0.750000 0.000000 0.500000 Al\n0.250000 0.000000 0.500000 Al\n0.500000 0.250000 0.000000 Al\n0.500000 0.750000 0.000000 Al\n0.000000 0.500000 0.750000 Al\n0.366076 0.366076 0.366076 Pb\n0.866076 0.133924 0.866076 Pb\n0.133924 0.866076 0.866076 Pb\n0.866076 0.866076 0.133924 Pb\n0.366076 0.633924 0.633924 Pb\n0.633924 0.633924 0.366076 Pb\n0.633924 0.366076 0.633924 Pb\n0.133924 0.133924 0.133924 Pb\n0.515387 0.159005 0.159005 O\n0.515387 0.840995 0.840995 O\n0.159005 0.159005 0.515387 O\n0.840995 0.159005 0.484613 O\n0.159005 0.515387 0.159005 O\n0.840995 0.484613 0.159005 O\n0.015387 0.659005 0.340995 O\n0.015387 0.340995 0.659005 O\n0.984613 0.659005 0.659005 O\n0.340995 0.659005 0.015387 O\n0.659005 0.984613 0.659005 O\n0.659005 0.015387 0.340995 O\n0.659005 0.340995 0.015387 O\n0.340995 0.015387 0.659005 O\n0.659005 0.659005 0.984613 O\n0.340995 0.340995 0.984613 O\n0.340995 0.984613 0.340995 O\n0.840995 0.515387 0.840995 O\n0.159005 0.484613 0.840995 O\n0.159005 0.840995 0.484613 O\n0.840995 0.840995 0.515387 O\n0.484613 0.840995 0.159005 O\n0.484613 0.159005 0.840995 O\n0.984613 0.340995 0.340995 O\n0.613266 0.613266 0.613266 O\n0.113266 0.886734 0.113266 O\n0.113266 0.113266 0.886734 O\n0.886734 0.113266 0.113266 O\n0.386734 0.386734 0.613266 O\n0.613266 0.386734 0.386734 O\n0.386734 0.613266 0.386734 O\n0.886734 0.886734 0.886734 O\n",
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"formula_full": "Ho4 Al12 Pb8 O32",
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{
"id": "mp-647840",
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"structure_string": "Fe8 C32 S4 O40\n1.0\n13.291296 0.000000 0.000000\n0.000000 8.832919 0.000000\n0.000000 5.165350 11.800342\nFe C S O\n8 32 4 40\ndirect\n0.778716 0.156456 0.911104 Fe\n0.221284 0.843544 0.088896 Fe\n0.278716 0.843544 0.588896 Fe\n0.651064 0.427548 0.836830 Fe\n0.151064 0.572452 0.663170 Fe\n0.848936 0.427548 0.336830 Fe\n0.348936 0.572452 0.163170 Fe\n0.721284 0.156456 0.411104 Fe\n0.925404 0.357468 0.465330 C\n0.190540 0.956060 0.640438 C\n0.729762 0.048999 0.054320 C\n0.937837 0.326843 0.277023 C\n0.868087 0.272700 0.959320 C\n0.107239 0.379362 0.765058 C\n0.119968 0.962603 0.108331 C\n0.425404 0.642532 0.034670 C\n0.229762 0.951001 0.445680 C\n0.380032 0.962603 0.608331 C\n0.270238 0.951001 0.945680 C\n0.809460 0.043940 0.359562 C\n0.619968 0.037397 0.391669 C\n0.368087 0.727300 0.540680 C\n0.690540 0.043940 0.859562 C\n0.235317 0.454822 0.611086 C\n0.309460 0.956060 0.140438 C\n0.437837 0.673157 0.222977 C\n0.607239 0.620638 0.734942 C\n0.880032 0.037397 0.891669 C\n0.264683 0.454822 0.111086 C\n0.392761 0.379362 0.265058 C\n0.764683 0.545178 0.388914 C\n0.562163 0.326843 0.777023 C\n0.131913 0.727300 0.040680 C\n0.062163 0.673157 0.722977 C\n0.574596 0.357468 0.965330 C\n0.074596 0.642532 0.534670 C\n0.631913 0.272700 0.459320 C\n0.892761 0.620638 0.234942 C\n0.770238 0.048999 0.554320 C\n0.735317 0.545178 0.888914 C\n0.277574 0.628164 0.759718 S\n0.722426 0.371836 0.240282 S\n0.777574 0.371836 0.740282 S\n0.222426 0.628164 0.259718 S\n0.134742 0.516676 0.284373 O\n0.428587 0.659651 0.511569 O\n0.419780 0.253385 0.332019 O\n0.080220 0.253385 0.832019 O\n0.071413 0.659651 0.011569 O\n0.945832 0.960131 0.879818 O\n0.217415 0.365844 0.085589 O\n0.865258 0.483324 0.715627 O\n0.496785 0.728733 0.263006 O\n0.862172 0.966409 0.328887 O\n0.362172 0.033591 0.171113 O\n0.445832 0.039869 0.620182 O\n0.634742 0.483324 0.215627 O\n0.282585 0.365844 0.585589 O\n0.697455 0.976407 0.144057 O\n0.054168 0.039869 0.120182 O\n0.919780 0.746615 0.167981 O\n0.254681 0.671352 0.354129 O\n0.717415 0.634156 0.414411 O\n0.245319 0.671352 0.854129 O\n0.580220 0.746615 0.667981 O\n0.365258 0.516676 0.784373 O\n0.928587 0.340349 0.988431 O\n0.137828 0.033591 0.671113 O\n0.197455 0.023593 0.355943 O\n0.554168 0.960131 0.379818 O\n0.474932 0.693306 0.954197 O\n0.745319 0.328648 0.645871 O\n0.974932 0.306694 0.545803 O\n0.782585 0.634156 0.914411 O\n0.996785 0.271267 0.236994 O\n0.003215 0.728733 0.763006 O\n0.302545 0.023593 0.855943 O\n0.525068 0.306694 0.045803 O\n0.025068 0.693306 0.454197 O\n0.754681 0.328648 0.145871 O\n0.802545 0.976407 0.644057 O\n0.571413 0.340349 0.488431 O\n0.503215 0.271267 0.736994 O\n0.637828 0.966409 0.828887 O\n",
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"formula_full": "Fe8 C32 S4 O40",
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{
"id": "mp-554266",
"created_at": "2022-09-04T14:45:04.510959Z",
"structure_string": "Ba6 Sr2 Ir4 O18\n1.0\n5.229860 3.054548 0.000000\n-5.229860 3.054548 0.000000\n0.000000 0.818021 15.047239\nBa Sr Ir O\n6 2 4 18\ndirect\n0.988498 0.011502 0.250000 Ba\n0.011502 0.988498 0.750000 Ba\n0.326772 0.658992 0.091439 Ba\n0.673228 0.341008 0.908561 Ba\n0.658992 0.326772 0.591439 Ba\n0.341008 0.673228 0.408561 Ba\n0.000000 0.000000 0.000000 Sr\n0.000000 0.000000 0.500000 Sr\n0.689792 0.360718 0.334038 Ir\n0.310208 0.639282 0.665962 Ir\n0.360718 0.689792 0.834038 Ir\n0.639282 0.310208 0.165962 Ir\n0.682690 0.867269 0.891912 O\n0.509402 0.490598 0.250000 O\n0.129895 0.770337 0.595929 O\n0.511123 0.033745 0.266653 O\n0.229663 0.870105 0.904071 O\n0.966255 0.488877 0.233347 O\n0.317310 0.132731 0.108088 O\n0.870105 0.229663 0.404071 O\n0.488877 0.966255 0.733347 O\n0.490598 0.509402 0.750000 O\n0.867269 0.682690 0.391912 O\n0.765536 0.581082 0.073941 O\n0.581082 0.765536 0.573941 O\n0.234464 0.418918 0.926059 O\n0.033745 0.511123 0.766653 O\n0.418918 0.234464 0.426059 O\n0.132731 0.317310 0.608088 O\n0.770337 0.129895 0.095929 O\n",
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{
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{
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"structure_string": "K2 La2 Mn2 W2 O12\n1.0\n5.727395 0.000000 -0.047649\n0.000000 5.762253 0.000000\n0.003748 0.000000 8.263775\nK La Mn W O\n2 2 2 2 12\ndirect\n0.243106 0.757695 0.000738 K\n0.756894 0.257695 0.999262 K\n0.249290 0.807666 0.499934 La\n0.750710 0.307666 0.500066 La\n0.746239 0.775169 0.244066 Mn\n0.253761 0.275169 0.755934 Mn\n0.757545 0.769268 0.750344 W\n0.242455 0.269268 0.249656 W\n0.542318 0.027519 0.693224 O\n0.457682 0.527519 0.306776 O\n0.510781 0.059061 0.307471 O\n0.489219 0.559061 0.692529 O\n0.978750 0.472008 0.246034 O\n0.021250 0.972008 0.753966 O\n0.950043 0.493900 0.756917 O\n0.049957 0.993900 0.243083 O\n0.825746 0.746826 0.505480 O\n0.174254 0.246826 0.494520 O\n0.707370 0.774277 0.974629 O\n0.292630 0.274277 0.025371 O\n",
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{
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"structure_string": "Li3 Co2 Si2 O8\n1.0\n5.056347 0.000000 0.000000\n0.057723 5.339492 0.000000\n0.049734 0.030639 6.430105\nLi Co Si O\n3 2 2 8\ndirect\n0.496531 0.170213 0.994315 Li\n0.994722 0.818351 0.500424 Li\n0.006190 0.346332 0.241333 Li\n0.992610 0.824136 0.984430 Co\n0.499298 0.171309 0.497374 Co\n0.998299 0.322485 0.745744 Si\n0.489111 0.684915 0.247393 Si\n0.105140 0.185352 0.960272 O\n0.676471 0.266020 0.732998 O\n0.056292 0.618594 0.741739 O\n0.125559 0.188786 0.529253 O\n0.592203 0.839906 0.454799 O\n0.593607 0.386431 0.269111 O\n0.163615 0.686484 0.242648 O\n0.612291 0.824577 0.045314 O\n",
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{
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},
{
"id": "mp-1236154",
"created_at": "2022-09-04T14:45:04.496366Z",
"structure_string": "Li1 V4 O10\n1.0\n5.824953 0.142419 1.388414\n1.319105 6.417244 1.498398\n0.334531 0.191917 7.603670\nLi V O\n1 4 10\ndirect\n0.705067 0.957204 0.882038 Li\n0.144794 0.712237 0.570927 V\n0.845445 0.287790 0.427327 V\n0.691877 0.843903 0.368370 V\n0.314002 0.144922 0.619272 V\n0.998008 0.817153 0.380418 O\n0.974119 0.181582 0.622167 O\n0.372130 0.870241 0.530715 O\n0.627523 0.128666 0.439137 O\n0.947832 0.737688 0.768115 O\n0.055718 0.271771 0.242340 O\n0.676310 0.914496 0.149868 O\n0.386985 0.067679 0.823197 O\n0.266994 0.452117 0.565842 O\n0.711946 0.562552 0.425081 O\n",
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"elements": [
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],
"chemical_system": "Li-O-V",
"density": 2.2097659142542168,
"density_atomic": 0.05384739205001245,
"volume": 278.56502290896987,
"volume_molar": 11.183718525136275,
"formula_full": "Li1 V4 O10",
"formula_reduced": "LiV4O10",
"formula_anonymous": "AB4C10",
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:46.482000Z",
"spacegroup": 1
},
{
"id": "mp-30228",
"created_at": "2022-09-04T14:45:04.513284Z",
"structure_string": "Li8 H2 N2\n1.0\n-2.427820 2.427820 4.969362\n2.427820 -2.427820 4.969362\n2.427820 2.427820 -4.969362\nLi H N\n8 2 2\ndirect\n0.901331 0.800105 0.517593 Li\n0.133738 0.151331 0.601226 Li\n0.550105 0.532512 0.398774 Li\n0.282512 0.383738 0.482407 Li\n0.848669 0.449895 0.982407 Li\n0.616262 0.098669 0.898774 Li\n0.199895 0.717488 0.101226 Li\n0.467488 0.866262 0.017593 Li\n0.000000 0.000000 0.000000 H\n0.750000 0.250000 0.500000 H\n0.500000 0.500000 0.000000 N\n0.250000 0.750000 0.500000 N\n",
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"formula_full": "Li8 H2 N2",
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{
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"structure_string": "Pr1 Er3 Mn8\n1.0\n-2.688138 -4.569141 0.027459\n-2.688138 4.569141 -0.027459\n0.000000 0.050416 -8.578074\nPr Er Mn\n1 3 8\ndirect\n0.665689 0.334311 0.562394 Pr\n0.333001 0.666999 0.435044 Er\n0.333652 0.666348 0.061938 Er\n0.666892 0.333108 0.940936 Er\n0.000899 0.999101 0.497319 Mn\n0.000205 0.999795 0.001550 Mn\n0.165056 0.324255 0.757571 Mn\n0.177439 0.822561 0.754073 Mn\n0.675745 0.834944 0.757571 Mn\n0.834585 0.676391 0.243158 Mn\n0.823227 0.176773 0.245287 Mn\n0.323609 0.165415 0.243158 Mn\n",
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"formula_full": "Pr1 Er3 Mn8",
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]
}