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"results": [
{
"id": "mp-15203",
"created_at": "2022-09-04T14:44:54.954079Z",
"structure_string": "Li12 Ca24 W8 N32 O6\n1.0\n10.755208 0.000000 -3.802540\n-5.377604 9.314283 -3.802540\n0.000000 0.000000 11.407621\nLi Ca W N O\n12 24 8 32 6\ndirect\n0.250001 0.273974 0.023974 Li\n0.250000 0.976026 0.726027 Li\n0.773974 0.750000 0.523973 Li\n0.523974 0.773974 0.750000 Li\n0.726026 0.249999 0.976026 Li\n0.976026 0.726026 0.250000 Li\n0.749999 0.226026 0.476026 Li\n0.226027 0.476026 0.750000 Li\n0.273973 0.023974 0.250000 Li\n0.023974 0.249999 0.273974 Li\n0.476026 0.750000 0.226026 Li\n0.750000 0.523974 0.773974 Li\n0.593370 0.537481 0.208055 Ca\n0.962518 0.555889 0.670573 Ca\n0.291944 0.829426 0.385315 Ca\n0.906630 0.114686 0.944112 Ca\n0.114685 0.944112 0.906631 Ca\n0.944112 0.906630 0.114686 Ca\n0.093370 0.708056 0.037481 Ca\n0.170574 0.055889 0.462519 Ca\n0.329427 0.791945 0.885314 Ca\n0.444112 0.614686 0.406630 Ca\n0.614685 0.406630 0.444112 Ca\n0.037482 0.093370 0.708055 Ca\n0.055888 0.462519 0.170573 Ca\n0.885315 0.329426 0.791945 Ca\n0.708055 0.037481 0.093370 Ca\n0.462519 0.170574 0.055889 Ca\n0.791944 0.885314 0.329426 Ca\n0.670574 0.962519 0.555889 Ca\n0.829426 0.385314 0.291945 Ca\n0.385314 0.291945 0.829426 Ca\n0.537482 0.208056 0.593370 Ca\n0.208055 0.593370 0.537482 Ca\n0.555888 0.670573 0.962519 Ca\n0.406630 0.444111 0.614685 Ca\n0.275601 0.275601 0.275601 W\n0.724399 0.500000 0.000000 W\n0.500000 0.000000 0.724399 W\n0.000000 0.724399 0.500000 W\n0.500000 0.000000 0.224399 W\n0.000000 0.224399 0.500000 W\n0.224399 0.500000 0.000000 W\n0.775601 0.775601 0.775601 W\n0.109222 0.109223 0.109222 N\n0.890778 0.500000 0.000000 N\n0.500000 0.000000 0.890777 N\n0.000000 0.890778 0.500000 N\n0.500000 0.000000 0.390778 N\n0.000000 0.390777 0.500000 N\n0.390778 0.500000 0.000000 N\n0.609222 0.609223 0.609222 N\n0.418589 0.366743 0.234078 N\n0.133257 0.551846 0.867336 N\n0.265921 0.632665 0.184510 N\n0.081410 0.315489 0.948154 N\n0.315489 0.948154 0.081411 N\n0.948154 0.081411 0.315489 N\n0.918589 0.734078 0.866743 N\n0.367335 0.051846 0.633257 N\n0.132665 0.765922 0.684511 N\n0.448154 0.815489 0.581410 N\n0.815490 0.581411 0.448154 N\n0.866743 0.918589 0.734078 N\n0.051846 0.633257 0.367335 N\n0.684511 0.132665 0.765922 N\n0.734078 0.866743 0.918589 N\n0.633256 0.367335 0.051845 N\n0.765921 0.684511 0.132665 N\n0.867336 0.133257 0.551846 N\n0.632665 0.184511 0.265922 N\n0.184511 0.265922 0.632665 N\n0.366743 0.234078 0.418589 N\n0.234079 0.418589 0.366743 N\n0.551846 0.867335 0.133257 N\n0.581411 0.448154 0.815490 N\n0.125000 0.875000 0.250000 O\n0.625000 0.750000 0.375000 O\n0.875000 0.249999 0.125000 O\n0.250000 0.125000 0.875000 O\n0.750000 0.375000 0.625000 O\n0.375000 0.625000 0.750000 O\n",
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],
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"density_atomic": 0.07175472847692045,
"volume": 1142.781831114794,
"volume_molar": 8.39267444505346,
"formula_full": "Li12 Ca24 W8 N32 O6",
"formula_reduced": "Li6Ca12W4N16O3",
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"spacegroup": 220
},
{
"id": "mp-29973",
"created_at": "2022-09-04T14:44:55.242158Z",
"structure_string": "Sr4 N4\n1.0\n1.898704 6.845901 0.000000\n-1.898704 6.845901 0.000000\n0.000000 0.570278 6.736417\nSr N\n4 4\ndirect\n0.646397 0.646397 0.093565 Sr\n0.353603 0.353603 0.906435 Sr\n0.847060 0.847060 0.389368 Sr\n0.152940 0.152940 0.610632 Sr\n0.977441 0.977441 0.082422 N\n0.022559 0.022559 0.917578 N\n0.753512 0.753512 0.749120 N\n0.246488 0.246488 0.250880 N\n",
"nsites": 8,
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"elements": [
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],
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"density": 3.854517960980205,
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"formula_full": "Sr4 N4",
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"spacegroup": 12
},
{
"id": "mp-19884",
"created_at": "2022-09-04T14:44:55.256809Z",
"structure_string": "Mn12 P4\n1.0\n-4.470572 4.470572 2.224337\n4.470572 -4.470572 2.224337\n4.470572 4.470572 -2.224337\nMn P\n12 4\ndirect\n0.631274 0.957244 0.614834 Mn\n0.983560 0.368726 0.325970 Mn\n0.042756 0.657590 0.674030 Mn\n0.342410 0.016440 0.385166 Mn\n0.583684 0.536812 0.607232 Mn\n0.023548 0.416316 0.953128 Mn\n0.463188 0.070420 0.046872 Mn\n0.929580 0.976452 0.392768 Mn\n0.301644 0.324518 0.189217 Mn\n0.887574 0.698356 0.022874 Mn\n0.675482 0.864699 0.977126 Mn\n0.135301 0.112426 0.810783 Mn\n0.782970 0.532732 0.331428 P\n0.548458 0.217030 0.749762 P\n0.467268 0.798696 0.250238 P\n0.201304 0.451542 0.668572 P\n",
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"density_atomic": 0.08997735406127745,
"volume": 177.82252175479053,
"volume_molar": 6.692951601909442,
"formula_full": "Mn12 P4",
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"energy": -137.33990384,
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"updated_at": "2021-11-28T01:36:41.492000Z",
"spacegroup": 82
},
{
"id": "mp-1519950",
"created_at": "2022-09-04T14:44:55.589557Z",
"structure_string": "K1 La1 Pr1 Sb1 O6\n1.0\n0.000000 -4.291730 -4.291730\n4.291730 -0.000000 -4.291730\n4.291730 -4.291730 0.000000\nK La Pr Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 La\n-0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Sb\n0.731776 0.268224 0.268224 O\n0.268224 0.731776 0.731776 O\n0.731776 0.268224 0.731776 O\n0.268224 0.731776 0.268224 O\n0.731776 0.731776 0.268224 O\n0.268224 0.268224 0.731776 O\n",
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"volume": 158.09828960560145,
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"formula_full": "K1 La1 Pr1 Sb1 O6",
"formula_reduced": "KLaPrSbO6",
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"energy": -72.13514637,
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},
{
"id": "mp-1223201",
"created_at": "2022-09-04T14:44:54.137058Z",
"structure_string": "Li4 Cr16 P12 O48\n1.0\n-6.315776 0.000000 0.000000\n0.000000 0.000000 -10.543955\n0.000000 -14.509984 0.000000\nLi Cr P O\n4 16 12 48\ndirect\n0.144839 0.530827 0.916007 Li\n0.644839 0.969173 0.583993 Li\n0.855161 0.469173 0.416007 Li\n0.355161 0.030827 0.083993 Li\n0.434237 0.647764 0.369510 Cr\n0.934237 0.852236 0.130490 Cr\n0.565763 0.352236 0.869510 Cr\n0.065763 0.147764 0.630490 Cr\n0.577078 0.342047 0.628145 Cr\n0.077078 0.157953 0.871855 Cr\n0.422922 0.657953 0.128145 Cr\n0.922922 0.842047 0.371855 Cr\n0.432255 0.754201 0.750362 Cr\n0.932255 0.745799 0.749638 Cr\n0.567745 0.245799 0.250362 Cr\n0.067745 0.254201 0.249638 Cr\n0.858582 0.459723 0.083189 Cr\n0.358582 0.040277 0.416811 Cr\n0.141418 0.540277 0.583189 Cr\n0.641418 0.959723 0.916811 Cr\n0.137133 0.873501 0.925458 P\n0.637133 0.626499 0.574542 P\n0.862867 0.126499 0.425458 P\n0.362867 0.373501 0.074542 P\n0.863255 0.126714 0.073675 P\n0.363255 0.373286 0.426325 P\n0.136745 0.873286 0.573675 P\n0.636745 0.626714 0.926325 P\n0.495671 0.095844 0.752030 P\n0.995671 0.404156 0.747970 P\n0.504329 0.904156 0.252030 P\n0.004329 0.595844 0.247970 P\n0.059572 0.545035 0.735391 O\n0.559572 0.954965 0.764609 O\n0.940428 0.454965 0.235391 O\n0.440428 0.045035 0.264609 O\n0.329013 0.957955 0.947466 O\n0.829013 0.542045 0.552534 O\n0.670987 0.042045 0.447466 O\n0.170987 0.457955 0.052534 O\n0.667107 0.044246 0.050742 O\n0.167107 0.455754 0.449258 O\n0.332893 0.955754 0.550742 O\n0.832893 0.544246 0.949258 O\n0.460266 0.537038 0.889262 O\n0.960266 0.962962 0.610738 O\n0.539734 0.462962 0.389262 O\n0.039734 0.037038 0.110738 O\n0.537832 0.469039 0.109961 O\n0.037832 0.030961 0.390039 O\n0.462168 0.530961 0.609961 O\n0.962168 0.969039 0.890039 O\n0.061176 0.792120 0.492108 O\n0.561176 0.707880 0.007892 O\n0.938824 0.207880 0.992108 O\n0.438824 0.292120 0.507892 O\n0.939776 0.203825 0.507991 O\n0.439776 0.296175 0.992009 O\n0.060224 0.796175 0.007991 O\n0.560224 0.703825 0.492009 O\n0.181153 0.778369 0.843908 O\n0.681153 0.721631 0.656092 O\n0.818847 0.221631 0.343908 O\n0.318847 0.278369 0.156092 O\n0.813355 0.224983 0.154058 O\n0.313355 0.275017 0.345942 O\n0.186645 0.775017 0.654058 O\n0.686645 0.724983 0.845942 O\n0.415371 0.835482 0.338288 O\n0.915371 0.664518 0.161712 O\n0.584629 0.164518 0.838288 O\n0.084629 0.335482 0.661712 O\n0.589234 0.149040 0.661412 O\n0.089234 0.350960 0.838588 O\n0.410766 0.850960 0.161412 O\n0.910766 0.649040 0.338588 O\n0.245598 0.110416 0.750660 O\n0.745598 0.389584 0.749340 O\n0.754402 0.889584 0.250660 O\n0.254402 0.610416 0.249340 O\n",
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"formula_full": "Li4 Cr16 P12 O48",
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"spacegroup": 19
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{
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"structure_string": "Zn8 P6 C6 N6 O26\n1.0\n15.408844 0.000000 0.000000\n0.000000 7.739493 0.000000\n0.000000 0.382191 7.739077\nZn P C N O\n8 6 6 6 26\ndirect\n0.701292 0.197116 0.093919 Zn\n0.201292 0.802884 0.906081 Zn\n0.706432 0.917402 0.784525 Zn\n0.206432 0.082598 0.215475 Zn\n0.541257 0.197381 0.806358 Zn\n0.041257 0.802619 0.193642 Zn\n0.563446 0.873425 0.103885 Zn\n0.063446 0.126575 0.896115 Zn\n0.616976 0.079614 0.444098 P\n0.116976 0.920386 0.555902 P\n0.875429 0.996839 0.014285 P\n0.375429 0.003161 0.985715 P\n0.639196 0.544439 0.913160 P\n0.139196 0.455561 0.086840 P\n0.928275 0.575498 0.782635 C\n0.428275 0.424502 0.217365 C\n0.415921 0.776014 0.551198 C\n0.915921 0.223986 0.448802 C\n0.752204 0.634872 0.366870 C\n0.252204 0.365128 0.633130 C\n0.901554 0.517400 0.915396 N\n0.401554 0.482600 0.084604 N\n0.394337 0.920682 0.525182 N\n0.894337 0.079318 0.474818 N\n0.684216 0.589272 0.421202 N\n0.184216 0.410728 0.578798 N\n0.627836 0.045921 0.945217 O\n0.127836 0.954079 0.054783 O\n0.713222 0.419548 0.969384 O\n0.213222 0.580452 0.030616 O\n0.642016 0.227825 0.312989 O\n0.142016 0.772175 0.687011 O\n0.809006 0.073974 0.137798 O\n0.309006 0.926026 0.862202 O\n0.697379 0.020955 0.551001 O\n0.197379 0.979045 0.448999 O\n0.670956 0.676904 0.771889 O\n0.170956 0.323096 0.228111 O\n0.827931 0.931493 0.853637 O\n0.327931 0.068507 0.146363 O\n0.544603 0.140425 0.564330 O\n0.044603 0.859575 0.435670 O\n0.923928 0.845837 0.107711 O\n0.423928 0.154163 0.892289 O\n0.561696 0.442310 0.842892 O\n0.061696 0.557690 0.157108 O\n0.608551 0.641466 0.072112 O\n0.108551 0.358534 0.927888 O\n0.584058 0.923344 0.344864 O\n0.084058 0.076656 0.655136 O\n0.940183 0.139140 0.949274 O\n0.440183 0.860860 0.050726 O\n",
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{
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"structure_string": "Nb7 B6 C3\n1.0\n1.574422 -16.688485 0.000000\n1.574422 16.688485 0.000000\n0.000000 0.000000 3.263366\nNb B C\n7 6 3\ndirect\n0.709504 0.290496 0.000000 Nb\n0.290496 0.709504 0.000000 Nb\n0.567152 0.432848 0.500000 Nb\n0.432848 0.567152 0.500000 Nb\n0.130591 0.869409 0.000000 Nb\n0.869409 0.130591 0.000000 Nb\n0.000000 0.000000 0.000000 Nb\n0.652476 0.347524 0.500000 B\n0.347524 0.652476 0.500000 B\n0.763451 0.236549 0.500000 B\n0.236549 0.763451 0.500000 B\n0.181595 0.818405 0.500000 B\n0.818405 0.181595 0.500000 B\n0.066122 0.933878 0.000000 C\n0.500000 0.500000 0.500000 C\n0.933878 0.066122 0.000000 C\n",
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{
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"structure_string": "Na10 Fe4 P4 C4 O28\n1.0\n-8.978911 5.257719 0.068831\n-0.074679 -5.257225 6.632357\n-0.014174 5.279729 6.649099\nNa Fe P C O\n10 4 4 4 28\ndirect\n0.914938 0.709168 0.550052 Na\n0.921373 0.211270 0.058796 Na\n0.728137 0.758861 0.266483 Na\n0.735747 0.496130 0.002362 Na\n0.741400 0.234961 0.758529 Na\n0.271863 0.741139 0.233517 Na\n0.258600 0.265039 0.741471 Na\n0.264253 0.003870 0.497638 Na\n0.078627 0.288730 0.441204 Na\n0.085062 0.790832 0.949948 Na\n0.647737 0.300319 0.444054 Fe\n0.653403 0.815391 0.926095 Fe\n0.352263 0.199681 0.055946 Fe\n0.346597 0.684609 0.573905 Fe\n0.580785 0.554448 0.689921 P\n0.579061 0.064289 0.184853 P\n0.420939 0.435711 0.315147 P\n0.419214 0.945552 0.810079 P\n0.928480 0.482284 0.278499 C\n0.944535 0.981210 0.771984 C\n0.071520 0.017716 0.221501 C\n0.055465 0.518790 0.728016 C\n0.932622 0.927020 0.296159 O\n0.912076 0.441611 0.807875 O\n0.866249 0.333484 0.416015 O\n0.878602 0.834078 0.911797 O\n0.835947 0.528664 0.223223 O\n0.862976 0.045588 0.715128 O\n0.685330 0.993700 0.078503 O\n0.676991 0.653871 0.771385 O\n0.677208 0.472900 0.579694 O\n0.670121 0.187660 0.257840 O\n0.566458 0.583844 0.169085 O\n0.567090 0.096272 0.661180 O\n0.542572 0.187571 0.050924 O\n0.544475 0.678036 0.564152 O\n0.455525 0.821964 0.935848 O\n0.457428 0.312429 0.449076 O\n0.433542 0.916156 0.330915 O\n0.432910 0.403728 0.838820 O\n0.323009 0.846129 0.728615 O\n0.314670 0.506300 0.421497 O\n0.329879 0.312340 0.242160 O\n0.322792 0.027100 0.920306 O\n0.164053 0.971336 0.276778 O\n0.137024 0.454412 0.784872 O\n0.133751 0.166516 0.083985 O\n0.121398 0.665922 0.588203 O\n0.067378 0.572980 0.203841 O\n0.087924 0.058389 0.692125 O\n",
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"formula_full": "Na10 Fe4 P4 C4 O28",
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},
{
"id": "mp-721657",
"created_at": "2022-09-04T14:44:54.602208Z",
"structure_string": "Sn2 C4 Cl4\n1.0\n-3.212011 4.239772 5.275487\n3.212011 -4.239772 5.275487\n3.212011 4.239772 -5.275487\nSn C Cl\n2 4 4\ndirect\n0.250000 0.757723 0.507723 Sn\n0.750000 0.242277 0.492277 Sn\n0.448154 0.566607 0.514761 C\n0.948154 0.433393 0.881547 C\n0.551846 0.433393 0.485239 C\n0.051846 0.566607 0.118453 C\n0.420461 0.160171 0.739710 Cl\n0.579539 0.839829 0.260290 Cl\n0.920461 0.180751 0.260290 Cl\n0.079539 0.819249 0.739710 Cl\n",
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"elements": [
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],
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"density": 2.4689614115892047,
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"volume": 287.3704280039805,
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"formula_full": "Sn2 C4 Cl4",
"formula_reduced": "Sn(CCl)2",
"formula_anonymous": "AB2C2",
"energy": -52.91978051,
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"spacegroup": 74
},
{
"id": "mp-861506",
"created_at": "2022-09-04T14:44:54.697591Z",
"structure_string": "Pr2 Zn1 Ru1\n1.0\n0.000000 3.625697 3.625697\n3.625697 0.000000 3.625697\n3.625697 3.625697 0.000000\nPr Zn Ru\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Pr\n0.750000 0.750000 0.750000 Pr\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Ru\n",
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"formula_full": "Pr2 Zn1 Ru1",
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},
{
"id": "mp-1247725",
"created_at": "2022-09-04T14:44:55.596875Z",
"structure_string": "Ca16 Ti4 Mn12 O44\n1.0\n-0.058792 0.011546 5.438118\n10.891522 -0.034779 -0.120829\n-0.047612 15.736434 0.033921\nCa Ti Mn O\n16 4 12 44\ndirect\n0.031132 0.984474 0.115514 Ca\n0.995090 0.010928 0.626007 Ca\n0.967404 0.544023 0.121358 Ca\n0.000904 0.524495 0.624124 Ca\n0.999239 0.499273 0.393994 Ca\n0.993116 0.500366 0.853530 Ca\n0.001594 0.964966 0.391827 Ca\n0.019696 0.966498 0.865438 Ca\n0.506807 0.237211 0.398548 Ca\n0.518368 0.233450 0.857177 Ca\n0.507355 0.730684 0.392337 Ca\n0.495223 0.728030 0.859812 Ca\n0.452234 0.219745 0.117423 Ca\n0.522578 0.268385 0.627297 Ca\n0.505191 0.774322 0.120228 Ca\n0.512749 0.769856 0.624700 Ca\n0.524783 0.988767 0.989040 Ti\n0.020167 0.233426 0.991302 Ti\n0.865934 0.267735 0.234325 Ti\n0.544238 0.982659 0.257770 Ti\n0.498018 0.002496 0.503118 Mn\n0.464524 0.502688 0.990378 Mn\n0.505084 0.497162 0.505135 Mn\n0.012464 0.249992 0.509622 Mn\n0.989002 0.742815 0.995358 Mn\n0.006539 0.749784 0.504276 Mn\n0.015674 0.250062 0.747943 Mn\n0.011125 0.745863 0.251783 Mn\n0.002810 0.751832 0.745434 Mn\n0.502941 0.002170 0.746767 Mn\n0.503338 0.514972 0.255934 Mn\n0.506916 0.498703 0.744562 Mn\n0.217847 0.110458 0.778831 O\n0.166408 0.582560 0.254383 O\n0.226122 0.610760 0.760267 O\n0.698437 0.394234 0.178378 O\n0.803671 0.395429 0.729020 O\n0.847259 0.915700 0.242555 O\n0.790662 0.895307 0.731706 O\n0.588690 0.169604 0.253048 O\n0.712959 0.150223 0.735653 O\n0.706207 0.662194 0.225870 O\n0.717723 0.643868 0.726231 O\n0.295220 0.356637 0.769747 O\n0.323178 0.850819 0.271612 O\n0.288925 0.860577 0.770695 O\n0.289792 0.356341 0.486610 O\n0.243786 0.358522 0.029617 O\n0.286510 0.860828 0.479727 O\n0.297169 0.855576 0.979477 O\n0.724195 0.153904 0.019531 O\n0.710278 0.149977 0.515215 O\n0.694354 0.636954 0.027764 O\n0.719712 0.641976 0.521315 O\n0.801341 0.392600 0.517863 O\n0.793966 0.891678 0.014229 O\n0.784437 0.895347 0.516618 O\n0.210205 0.111191 0.473059 O\n0.229318 0.106478 0.982365 O\n0.232384 0.609607 0.488778 O\n0.160929 0.596744 0.984567 O\n0.573904 0.010721 0.375215 O\n0.595998 0.011800 0.877955 O\n0.562164 0.496640 0.379769 O\n0.564432 0.503911 0.868350 O\n0.427431 0.483504 0.625092 O\n0.457786 0.995702 0.132958 O\n0.428675 0.996186 0.622762 O\n0.056997 0.192749 0.156474 O\n0.087887 0.229473 0.631175 O\n0.075625 0.755071 0.125124 O\n0.079936 0.751918 0.624520 O\n0.997355 0.299341 0.335999 O\n0.943182 0.280297 0.884688 O\n0.941280 0.745910 0.377654 O\n0.927165 0.748078 0.870332 O\n",
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"Mn",
"O"
],
"chemical_system": "Ca-Mn-O-Ti",
"density": 3.912780349714432,
"density_atomic": 0.08155081011315167,
"volume": 931.9343351040912,
"volume_molar": 7.3845259803603245,
"formula_full": "Ca16 Ti4 Mn12 O44",
"formula_reduced": "Ca4TiMn3O11",
"formula_anonymous": "AB3C4D11",
"energy": -603.52159356,
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{
"id": "mp-1219556",
"created_at": "2022-09-04T14:44:50.938869Z",
"structure_string": "Sb8 Te16 Pd12\n1.0\n6.666125 0.000000 0.000000\n0.021308 6.671508 0.000000\n0.160228 0.064752 19.974898\nSb Te Pd\n8 16 12\ndirect\n0.369212 0.874090 0.709876 Sb\n0.368904 0.873500 0.376922 Sb\n0.367853 0.872048 0.042820 Sb\n0.129687 0.369890 0.957508 Sb\n0.130643 0.368769 0.624544 Sb\n0.132745 0.370677 0.291464 Sb\n0.873976 0.129889 0.789682 Sb\n0.873557 0.131836 0.456356 Sb\n0.872423 0.131890 0.122653 Te\n0.631102 0.631729 0.876528 Te\n0.630799 0.631233 0.543735 Te\n0.629724 0.631743 0.210779 Te\n0.622729 0.123650 0.957713 Te\n0.624756 0.124030 0.624916 Te\n0.623655 0.122956 0.291872 Te\n0.874498 0.623839 0.708124 Te\n0.875751 0.623213 0.374769 Te\n0.873152 0.622778 0.041249 Te\n0.123536 0.874258 0.874754 Te\n0.122253 0.875845 0.541198 Te\n0.125247 0.871004 0.208382 Te\n0.374065 0.373367 0.791595 Te\n0.373043 0.372501 0.457905 Te\n0.374555 0.372181 0.123941 Te\n0.002431 0.495840 0.833434 Pd\n0.001614 0.496457 0.500611 Pd\n0.004575 0.499887 0.167694 Pd\n0.500389 0.001510 0.831738 Pd\n0.500666 0.002255 0.499055 Pd\n0.497202 0.000095 0.165573 Pd\n0.495963 0.500861 0.667401 Pd\n0.496977 0.500771 0.334345 Pd\n0.495306 0.501242 0.000014 Pd\n0.002314 0.000764 0.999696 Pd\n0.002378 0.001700 0.667530 Pd\n0.002322 0.001703 0.333627 Pd\n",
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"Pd"
],
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"density": 8.024160829685211,
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"volume": 888.3457614164984,
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"formula_full": "Sb8 Te16 Pd12",
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"spacegroup": 1
}
]
}