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{
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"results": [
{
"id": "mp-775811",
"created_at": "2022-09-04T14:43:13.518647Z",
"structure_string": "Li4 V4 Fe4 O16\n1.0\n5.953310 0.000026 0.000096\n0.000026 5.952871 0.000012\n0.000158 -0.000004 8.320787\nLi V Fe O\n4 4 4 16\ndirect\n0.000011 0.233159 0.999962 Li\n0.000010 0.766865 0.500035 Li\n0.233322 0.000018 0.250014 Li\n0.766703 0.000014 0.749988 Li\n0.229153 0.500001 0.250000 V\n0.500005 0.229190 0.000000 V\n0.499999 0.770804 0.500010 V\n0.770820 0.499997 0.749992 V\n0.256462 0.256462 0.625026 Fe\n0.256425 0.743561 0.874991 Fe\n0.743544 0.256444 0.374972 Fe\n0.743549 0.743546 0.125010 Fe\n0.017125 0.268800 0.258775 O\n0.017124 0.731185 0.241212 O\n0.268842 0.017126 0.991221 O\n0.268853 0.982891 0.508807 O\n0.268029 0.485995 0.015591 O\n0.268025 0.514010 0.484401 O\n0.485970 0.268017 0.234398 O\n0.485984 0.731969 0.265609 O\n0.514039 0.268005 0.765595 O\n0.513995 0.731978 0.734404 O\n0.731981 0.513993 0.515601 O\n0.731979 0.485987 0.984402 O\n0.731165 0.017111 0.008779 O\n0.731167 0.982875 0.491201 O\n0.982872 0.268799 0.741211 O\n0.982846 0.731199 0.758793 O\n",
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"volume": 294.8827539118495,
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"formula_full": "Li4 V4 Fe4 O16",
"formula_reduced": "LiVFeO4",
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"updated_at": "2021-11-28T01:36:04.659000Z",
"spacegroup": 95
},
{
"id": "mp-758206",
"created_at": "2022-09-04T14:43:13.521102Z",
"structure_string": "Fe35 Si1 O48\n1.0\n-8.632434 4.271011 4.271011\n-4.314526 -8.532266 4.263423\n4.314526 -4.263423 8.532266\nFe Si O\n35 1 48\ndirect\n0.814120 0.734437 0.104776 Fe\n0.814120 0.895224 0.265563 Fe\n0.563775 0.811838 0.188162 Fe\n0.812048 0.898941 0.769298 Fe\n0.809518 0.561745 0.438255 Fe\n0.812048 0.230702 0.101059 Fe\n0.622289 0.795083 0.542651 Fe\n0.622289 0.457349 0.204917 Fe\n0.814950 0.058898 0.435211 Fe\n0.312995 0.893300 0.278085 Fe\n0.814950 0.564789 0.941102 Fe\n0.809967 0.396592 0.773510 Fe\n0.312995 0.721915 0.106700 Fe\n0.809967 0.226490 0.603408 Fe\n0.500224 0.503524 0.496476 Fe\n0.501321 0.831720 0.837659 Fe\n0.501321 0.162341 0.168280 Fe\n0.313123 0.726292 0.605201 Fe\n0.313123 0.394799 0.273708 Fe\n0.067000 0.973409 0.359503 Fe\n0.557760 0.485594 0.850037 Fe\n0.067000 0.640497 0.026591 Fe\n0.557760 0.149963 0.514406 Fe\n0.125373 0.623828 0.376172 Fe\n0.126311 0.292323 0.042244 Fe\n0.621323 0.127665 0.872335 Fe\n0.126311 0.957756 0.707677 Fe\n0.312041 0.561713 0.937914 Fe\n0.312041 0.062086 0.438287 Fe\n0.314024 0.402126 0.768791 Fe\n0.314024 0.231209 0.597874 Fe\n0.998355 0.666926 0.667338 Fe\n0.998355 0.332662 0.333074 Fe\n0.309908 0.063705 0.936295 Fe\n0.065810 0.311721 0.688279 Fe\n0.002025 0.003335 0.996665 Si\n0.939363 0.872530 0.464558 O\n0.939363 0.535442 0.127470 O\n0.931694 0.683564 0.316436 O\n0.675549 0.937521 0.062479 O\n0.696453 0.950700 0.566804 O\n0.687200 0.762412 0.385525 O\n0.687200 0.614475 0.237588 O\n0.696453 0.433196 0.049300 O\n0.932600 0.171580 0.304969 O\n0.945903 0.026399 0.126324 O\n0.932600 0.695031 0.828420 O\n0.931668 0.498579 0.650884 O\n0.945903 0.873676 0.973601 O\n0.931668 0.349116 0.501421 O\n0.425023 0.708175 0.291825 O\n0.707013 0.769962 0.895204 O\n0.172383 0.947435 0.052565 O\n0.709213 0.422233 0.577767 O\n0.707013 0.104796 0.230038 O\n0.944076 0.175849 0.824151 O\n0.420928 0.859667 0.469939 O\n0.695030 0.251054 0.414886 O\n0.918660 0.360241 0.971443 O\n0.420928 0.530061 0.140333 O\n0.695030 0.585114 0.748946 O\n0.918660 0.028557 0.639759 O\n0.193623 0.936591 0.547728 O\n0.690683 0.103208 0.723398 O\n0.193623 0.452272 0.063409 O\n0.187206 0.609415 0.220607 O\n0.187206 0.779393 0.390585 O\n0.690683 0.276602 0.896792 O\n0.420566 0.859239 0.991705 O\n0.435331 0.515718 0.660927 O\n0.435331 0.339073 0.484282 O\n0.420566 0.008295 0.140761 O\n0.434701 0.182530 0.329021 O\n0.434701 0.670979 0.817470 O\n0.433621 0.037923 0.630373 O\n0.204036 0.262578 0.403770 O\n0.204036 0.596230 0.737422 O\n0.433621 0.369627 0.962077 O\n0.425894 0.193008 0.806992 O\n0.191019 0.428582 0.571418 O\n0.192168 0.084570 0.247814 O\n0.192168 0.752186 0.915430 O\n0.195541 0.270748 0.878630 O\n0.195541 0.121370 0.729252 O\n",
"nsites": 84,
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"elements": [
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"O"
],
"chemical_system": "Fe-O-Si",
"density": 4.843053384174159,
"density_atomic": 0.08906703622344975,
"volume": 943.1098592891576,
"volume_molar": 6.761357529503692,
"formula_full": "Fe35 Si1 O48",
"formula_reduced": "Fe35SiO48",
"formula_anonymous": "AB35C48",
"energy": -626.0292628100001,
"energy_per_atom": -7.452729319166668,
"energy_above_hull": null,
"is_stable": null,
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"updated_at": "2021-11-28T01:36:14.051000Z",
"spacegroup": 8
},
{
"id": "mp-1228524",
"created_at": "2022-09-04T14:43:13.521350Z",
"structure_string": "Al4 Te6\n1.0\n3.700443 6.490961 0.000000\n-3.700443 6.490961 0.000000\n0.000000 4.124847 6.958114\nAl Te\n4 6\ndirect\n0.179569 0.983588 0.497412 Al\n0.811174 0.676216 0.505938 Al\n0.983588 0.179569 0.997412 Al\n0.676216 0.811174 0.005938 Al\n0.296622 0.136668 0.112323 Te\n0.979088 0.781990 0.120260 Te\n0.616739 0.454942 0.139018 Te\n0.136668 0.296622 0.612323 Te\n0.781990 0.979088 0.620260 Te\n0.454942 0.616739 0.639018 Te\n",
"nsites": 10,
"nelements": 2,
"elements": [
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"Te"
],
"chemical_system": "Al-Te",
"density": 4.339510625551456,
"density_atomic": 0.029916841864417534,
"volume": 334.25988094999394,
"volume_molar": 20.12960053501706,
"formula_full": "Al4 Te6",
"formula_reduced": "Al2Te3",
"formula_anonymous": "A2B3",
"energy": -40.62331094,
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"updated_at": "2021-11-28T01:36:08.149000Z",
"spacegroup": 9
},
{
"id": "mp-542463",
"created_at": "2022-09-04T14:43:13.525147Z",
"structure_string": "Mg2 Al4 Cl16\n1.0\n4.104776 8.909371 0.000000\n-4.104776 8.909371 0.000000\n0.000000 7.258324 9.171939\nMg Al Cl\n2 4 16\ndirect\n0.001837 0.998163 0.750000 Mg\n0.998163 0.001837 0.250000 Mg\n0.159220 0.668786 0.531811 Al\n0.331214 0.840780 0.968189 Al\n0.840780 0.331214 0.468189 Al\n0.668786 0.159220 0.031811 Al\n0.306818 0.383224 0.548978 Cl\n0.616776 0.693182 0.951022 Cl\n0.693182 0.616776 0.451022 Cl\n0.383224 0.306818 0.048978 Cl\n0.878217 0.824255 0.512871 Cl\n0.175745 0.121783 0.987129 Cl\n0.121783 0.175745 0.487129 Cl\n0.824255 0.878217 0.012871 Cl\n0.141876 0.688946 0.717318 Cl\n0.311054 0.858124 0.782682 Cl\n0.858124 0.311054 0.282682 Cl\n0.688946 0.141876 0.217318 Cl\n0.280617 0.839122 0.328465 Cl\n0.160878 0.719383 0.171535 Cl\n0.719383 0.160878 0.671535 Cl\n0.839122 0.280617 0.828465 Cl\n",
"nsites": 22,
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"elements": [
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"Al",
"Cl"
],
"chemical_system": "Al-Cl-Mg",
"density": 1.7915564987697539,
"density_atomic": 0.0327940474754719,
"volume": 670.853453403541,
"volume_molar": 18.363517844219203,
"formula_full": "Mg2 Al4 Cl16",
"formula_reduced": "Mg(AlCl4)2",
"formula_anonymous": "AB2C8",
"energy": -93.14765373,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:01.503000Z",
"spacegroup": 15
},
{
"id": "mp-1219915",
"created_at": "2022-09-04T14:43:13.535797Z",
"structure_string": "Rb2 Ti1 Cr2 Mo6 O24\n1.0\n8.664163 0.000000 0.000000\n-1.466750 8.545331 0.000000\n-1.450534 -1.736038 8.383317\nRb Ti Cr Mo O\n2 1 2 6 24\ndirect\n0.813870 0.814712 0.811565 Rb\n0.186130 0.185288 0.188435 Rb\n0.500000 0.500000 0.000000 Ti\n0.000000 0.500000 0.500000 Cr\n0.500000 0.000000 0.500000 Cr\n0.780512 0.318955 0.774193 Mo\n0.774816 0.780508 0.320173 Mo\n0.318776 0.774064 0.779290 Mo\n0.219488 0.681045 0.225807 Mo\n0.225184 0.219492 0.679827 Mo\n0.681224 0.225936 0.220710 Mo\n0.944107 0.309763 0.916160 O\n0.917521 0.943789 0.310316 O\n0.310659 0.918124 0.941851 O\n0.055893 0.690237 0.083840 O\n0.082479 0.056211 0.689684 O\n0.689341 0.081876 0.058149 O\n0.683508 0.116033 0.677372 O\n0.672928 0.680984 0.115046 O\n0.115007 0.676197 0.685065 O\n0.316492 0.883967 0.322628 O\n0.327072 0.319016 0.884954 O\n0.884993 0.323803 0.314935 O\n0.643785 0.422022 0.872101 O\n0.867428 0.644210 0.419891 O\n0.420344 0.865857 0.643314 O\n0.356215 0.577978 0.127899 O\n0.132572 0.355790 0.580109 O\n0.579656 0.134143 0.356686 O\n0.841884 0.437424 0.633922 O\n0.633920 0.841935 0.438306 O\n0.439475 0.632140 0.844861 O\n0.158116 0.562576 0.366078 O\n0.366080 0.158065 0.561694 O\n0.560525 0.367860 0.155139 O\n",
"nsites": 35,
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"elements": [
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],
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"density": 3.4309004991653795,
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"volume": 620.6852033519582,
"volume_molar": 10.679581892099188,
"formula_full": "Rb2 Ti1 Cr2 Mo6 O24",
"formula_reduced": "Rb2TiCr2(MoO4)6",
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"energy": -290.4482944,
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"updated_at": "2021-11-28T01:36:14.290000Z",
"spacegroup": 2
},
{
"id": "mp-1221883",
"created_at": "2022-09-04T14:43:13.536833Z",
"structure_string": "Mn2 In1 Ag1 Te4\n1.0\n0.000000 0.000000 -6.465365\n6.465365 0.000000 0.000000\n3.232683 -6.390882 3.232683\nMn In Ag Te\n2 1 1 4\ndirect\n0.750000 0.750000 0.500000 Mn\n0.250000 0.250000 0.500000 Mn\n0.500000 0.500000 0.000000 In\n0.000000 0.000000 0.000000 Ag\n0.117001 0.882999 0.738342 Te\n0.882999 0.621341 0.261658 Te\n0.621341 0.378659 0.738342 Te\n0.378659 0.117001 0.261658 Te\n",
"nsites": 8,
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"elements": [
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],
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"density": 5.23974738645677,
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"volume": 267.1449043199302,
"volume_molar": 20.1098027141419,
"formula_full": "Mn2 In1 Ag1 Te4",
"formula_reduced": "Mn2InAgTe4",
"formula_anonymous": "ABC2D4",
"energy": -39.68809625,
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"updated_at": "2021-11-28T01:36:07.919000Z",
"spacegroup": 121
},
{
"id": "mp-16529",
"created_at": "2022-09-04T14:43:13.537850Z",
"structure_string": "Al12 Ru2\n1.0\n3.279928 -3.750942 0.000000\n3.279928 3.750942 0.000000\n0.000000 0.000000 9.039062\nAl Ru\n12 2\ndirect\n0.680820 0.319180 0.000000 Al\n0.319180 0.680820 0.500000 Al\n0.319180 0.680820 0.000000 Al\n0.680820 0.319180 0.500000 Al\n0.140545 0.140545 0.099563 Al\n0.859455 0.859455 0.599563 Al\n0.140545 0.140545 0.400437 Al\n0.859455 0.859455 0.900437 Al\n0.978127 0.618150 0.250000 Al\n0.021873 0.381850 0.750000 Al\n0.618150 0.978127 0.250000 Al\n0.381850 0.021873 0.750000 Al\n0.463568 0.463568 0.250000 Ru\n0.536432 0.536432 0.750000 Ru\n",
"nsites": 14,
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"elements": [
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],
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"density": 3.9265351998098166,
"density_atomic": 0.06294627222497835,
"volume": 222.41189994479956,
"volume_molar": 9.567112629761565,
"formula_full": "Al12 Ru2",
"formula_reduced": "Al6Ru",
"formula_anonymous": "AB6",
"energy": -68.10698602,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:05.949000Z",
"spacegroup": 63
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{
"id": "mp-1046349",
"created_at": "2022-09-04T14:43:13.699975Z",
"structure_string": "Ba2 Al1 Tl1 Fe2 O7\n1.0\n3.857566 0.000000 0.000000\n0.000000 3.857566 0.000000\n0.000000 0.000000 12.990539\nBa Al Tl Fe O\n2 1 1 2 7\ndirect\n0.500000 0.500000 0.204595 Ba\n0.500000 0.500000 0.795405 Ba\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Tl\n0.000000 0.000000 0.384594 Fe\n0.000000 0.000000 0.615406 Fe\n0.000000 0.000000 0.168529 O\n0.000000 0.500000 0.402731 O\n0.500000 0.000000 0.402731 O\n0.500000 0.000000 0.597269 O\n0.500000 0.500000 0.000000 O\n0.000000 0.500000 0.597269 O\n0.000000 0.000000 0.831471 O\n",
"nsites": 13,
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],
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"volume": 193.30981338170895,
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"formula_full": "Ba2 Al1 Tl1 Fe2 O7",
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"energy": -86.83362865,
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"spacegroup": 123
},
{
"id": "mp-1272748",
"created_at": "2022-09-04T14:43:13.554117Z",
"structure_string": "Sr4 V2 Mo2 O12\n1.0\n0.000159 3.995146 4.000788\n-4.034689 -3.993805 3.999089\n4.034944 -3.993777 3.999371\nSr V Mo O\n4 2 2 12\ndirect\n0.496666 0.750175 0.251669 Sr\n0.496745 0.251676 0.750199 Sr\n0.001570 0.001358 0.495225 Sr\n0.001557 0.495223 0.001376 Sr\n0.997377 0.498501 0.498506 V\n0.999406 0.999586 0.999604 V\n0.500583 0.250053 0.250065 Mo\n0.500338 0.750442 0.750442 Mo\n0.002560 0.741563 0.261366 O\n0.002503 0.261372 0.741562 O\n0.498737 0.995099 0.504028 O\n0.498848 0.504077 0.995159 O\n0.251706 0.126619 0.126402 O\n0.255772 0.626674 0.626600 O\n0.754682 0.376643 0.376737 O\n0.740898 0.870939 0.871069 O\n0.249168 0.378111 0.378097 O\n0.245571 0.875127 0.875082 O\n0.752980 0.123174 0.123254 O\n0.752336 0.623588 0.623560 O\n",
"nsites": 20,
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"elements": [
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"density": 5.384856319729016,
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"formula_full": "Sr4 V2 Mo2 O12",
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"formula_anonymous": "ABC2D6",
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