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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formation_energy&page=76",
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"results": [
{
"id": "mp-757551",
"created_at": "2022-09-04T14:46:53.478011Z",
"structure_string": "Li9 Sn9 P12 O48\n1.0\n8.634136 0.000000 0.000000\n-0.157327 9.229392 0.000000\n-0.178543 -0.603344 13.386319\nLi Sn P O\n9 9 12 48\ndirect\n0.142884 0.235859 0.840570 Li\n0.856569 0.102481 0.487964 Li\n0.384701 0.738015 0.840630 Li\n0.380738 0.405912 0.502841 Li\n0.359036 0.052424 0.173824 Li\n0.625195 0.925648 0.832060 Li\n0.623023 0.595545 0.493257 Li\n0.121843 0.575181 0.178407 Li\n0.876831 0.761035 0.158508 Li\n0.481855 0.344044 0.837660 Sn\n0.511469 0.993158 0.495757 Sn\n0.870623 0.449453 0.808545 Sn\n0.003877 0.827306 0.837356 Sn\n0.002422 0.500832 0.495804 Sn\n0.008077 0.166005 0.171874 Sn\n0.624552 0.283030 0.122815 Sn\n0.124621 0.881550 0.525923 Sn\n0.498815 0.671409 0.167439 Sn\n0.827603 0.136177 0.937036 P\n0.302839 0.016176 0.732515 P\n0.699816 0.662563 0.958099 P\n0.702009 0.311411 0.596774 P\n0.198790 0.531887 0.715946 P\n0.184406 0.188932 0.397079 P\n0.800671 0.803583 0.615426 P\n0.812238 0.486210 0.278015 P\n0.308610 0.672412 0.379846 P\n0.280523 0.355785 0.063964 P\n0.693432 0.983276 0.267611 P\n0.189772 0.851563 0.061666 P\n0.128005 0.980776 0.758938 O\n0.653371 0.143581 0.917038 O\n0.927375 0.246113 0.881964 O\n0.259535 0.334490 0.951368 O\n0.325645 0.177613 0.762955 O\n0.677394 0.496745 0.943742 O\n0.665659 0.150032 0.564991 O\n0.702139 0.318845 0.712723 O\n0.114777 0.400500 0.757955 O\n0.702765 0.019384 0.381465 O\n0.073115 0.083566 0.448389 O\n0.368124 0.546356 0.750555 O\n0.873933 0.697074 0.932257 O\n0.354033 0.180083 0.433071 O\n0.875378 0.335938 0.561071 O\n0.585472 0.750789 0.901321 O\n0.189286 0.828891 0.944267 O\n0.589184 0.414361 0.552284 O\n0.187927 0.515710 0.597800 O\n0.581397 0.083557 0.213555 O\n0.116292 0.675581 0.750119 O\n0.177015 0.152772 0.280426 O\n0.131643 0.347546 0.416093 O\n0.149836 0.014351 0.091314 O\n0.879524 0.980856 0.911105 O\n0.879390 0.657546 0.580495 O\n0.812305 0.819255 0.732567 O\n0.851209 0.320200 0.251585 O\n0.417555 0.917998 0.779776 O\n0.817075 0.511846 0.394888 O\n0.421585 0.580963 0.434381 O\n0.853920 0.162867 0.054088 O\n0.375291 0.233462 0.108776 O\n0.133992 0.639937 0.405059 O\n0.630251 0.795662 0.577246 O\n0.119130 0.355130 0.118992 O\n0.636623 0.506613 0.245137 O\n0.883504 0.934463 0.570846 O\n0.314900 0.003654 0.614293 O\n0.919175 0.588392 0.227750 O\n0.317677 0.641372 0.263077 O\n0.336859 0.839559 0.399524 O\n0.365039 0.506092 0.087672 O\n0.636311 0.822024 0.253478 O\n0.684561 0.700034 0.074885 O\n0.081534 0.747138 0.109470 O\n0.363466 0.836932 0.100702 O\n0.861993 0.994492 0.223336 O\n",
"nsites": 78,
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"elements": [
"Li",
"Sn",
"P",
"O"
],
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"density": 3.534438190253065,
"density_atomic": 0.0731208877103796,
"volume": 1066.726655575433,
"volume_molar": 8.235869323486275,
"formula_full": "Li9 Sn9 P12 O48",
"formula_reduced": "Li3Sn3(PO4)4",
"formula_anonymous": "A3B3C4D16",
"energy": -547.88950415,
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"updated_at": "2021-11-28T01:37:42.239000Z",
"spacegroup": 1
},
{
"id": "mp-22638",
"created_at": "2022-09-04T14:46:53.479467Z",
"structure_string": "Ni4 Ge2 O8\n1.0\n0.000000 4.156559 4.156559\n4.156559 0.000000 4.156559\n4.156559 4.156559 0.000000\nNi Ge O\n4 2 8\ndirect\n0.625000 0.625000 0.625000 Ni\n0.125000 0.625000 0.625000 Ni\n0.625000 0.625000 0.125000 Ni\n0.625000 0.125000 0.625000 Ni\n0.000000 0.000000 0.000000 Ge\n0.250000 0.250000 0.250000 Ge\n0.375045 0.874864 0.375045 O\n0.874955 0.874955 0.375136 O\n0.874955 0.874955 0.874955 O\n0.375136 0.874955 0.874955 O\n0.375045 0.375045 0.375045 O\n0.874864 0.375045 0.375045 O\n0.874955 0.375136 0.874955 O\n0.375045 0.375045 0.874864 O\n",
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"density": 5.87384772215875,
"density_atomic": 0.09747566162348459,
"volume": 143.62559603931953,
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"formula_full": "Ni4 Ge2 O8",
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"energy": -95.22189785,
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},
{
"id": "mp-651347",
"created_at": "2022-09-04T14:46:53.480219Z",
"structure_string": "K24 Mo24 Se112\n1.0\n15.152618 -0.019296 0.000000\n-4.337823 14.518454 0.000000\n0.000000 0.000000 20.849484\nK Mo Se\n24 24 112\ndirect\n0.807554 0.556069 0.619130 K\n0.337697 0.584887 0.329568 K\n0.944233 0.686747 0.122642 K\n0.518485 0.518485 0.094395 K\n0.192446 0.443931 0.119130 K\n0.971031 0.475434 0.339701 K\n0.820289 0.063459 0.360564 K\n0.475434 0.971031 0.339701 K\n0.662303 0.415113 0.829568 K\n0.313253 0.055767 0.622642 K\n0.524566 0.028969 0.839701 K\n0.936541 0.179711 0.860564 K\n0.481515 0.481515 0.594395 K\n0.055767 0.313253 0.622642 K\n0.966425 0.966425 0.634640 K\n0.028969 0.524566 0.839701 K\n0.686747 0.944233 0.122642 K\n0.415113 0.662303 0.829568 K\n0.179711 0.936541 0.860564 K\n0.556069 0.807554 0.619130 K\n0.584887 0.337697 0.329568 K\n0.063459 0.820289 0.360564 K\n0.443931 0.192446 0.119130 K\n0.033575 0.033575 0.134640 K\n0.290553 0.177995 0.391725 Mo\n0.762815 0.255755 0.186526 Mo\n0.751657 0.636826 0.394010 Mo\n0.744245 0.237185 0.686526 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Se\n0.989173 0.799315 0.530391 Se\n0.738044 0.229913 0.814898 Se\n0.479372 0.479372 0.769024 Se\n0.078763 0.212111 0.296626 Se\n0.034226 0.331710 0.448758 Se\n0.314561 0.821338 0.585530 Se\n0.965774 0.668290 0.948758 Se\n0.649577 0.359139 0.672898 Se\n0.763473 0.763473 0.649010 Se\n0.145600 0.868789 0.681832 Se\n0.005022 0.512690 0.674739 Se\n0.403495 0.922065 0.051349 Se\n0.525661 0.225471 0.934183 Se\n0.573985 0.706522 0.279543 Se\n0.640861 0.350423 0.172898 Se\n0.234671 0.234671 0.497918 Se\n0.799315 0.989173 0.530391 Se\n0.656160 0.872025 0.299754 Se\n0.765329 0.765329 0.997918 Se\n0.010827 0.200685 0.030391 Se\n0.309863 0.827778 0.970294 Se\n0.475972 0.251505 0.549569 Se\n0.359139 0.649577 0.672898 Se\n0.620679 0.837451 0.785500 Se\n0.596505 0.077935 0.551349 Se\n0.343350 0.343350 0.996584 Se\n0.706522 0.573985 0.279543 Se\n0.939163 0.295509 0.183139 Se\n0.261956 0.770087 0.314898 Se\n0.178662 0.685439 0.085530 Se\n0.770087 0.261956 0.314898 Se\n0.087193 0.867008 0.010126 Se\n0.787889 0.921237 0.796626 Se\n0.809941 0.809941 0.398785 Se\n0.343840 0.127975 0.799754 Se\n0.912807 0.132992 0.510126 Se\n0.854400 0.131211 0.181832 Se\n0.060837 0.704491 0.683139 Se\n0.765542 0.765542 0.163337 Se\n0.668290 0.965774 0.948758 Se\n0.970720 0.970720 0.822272 Se\n0.921237 0.787889 0.796626 Se\n0.295509 0.939163 0.183139 Se\n0.225471 0.525661 0.934183 Se\n0.187891 0.568243 0.681383 Se\n0.553803 0.820488 0.944828 Se\n0.127975 0.343840 0.799754 Se\n0.876325 0.876325 0.225254 Se\n0.389420 0.634959 0.497100 Se\n0.774529 0.474339 0.434183 Se\n0.212111 0.078763 0.296626 Se\n0.350423 0.640861 0.172898 Se\n0.884815 0.621274 0.469770 Se\n0.922065 0.403495 0.051349 Se\n0.378726 0.115185 0.969770 Se\n0.837451 0.620679 0.785500 Se\n0.867008 0.087193 0.010126 Se\n0.426015 0.293478 0.779543 Se\n0.576178 0.576178 0.405154 Se\n0.331710 0.034226 0.448758 Se\n0.647393 0.145205 0.266803 Se\n0.512690 0.005022 0.674739 Se\n0.359727 0.359727 0.190315 Se\n0.229913 0.738044 0.814898 Se\n0.704491 0.060837 0.683139 Se\n0.200685 0.010827 0.030391 Se\n0.685439 0.178662 0.085530 Se\n0.854795 0.352607 0.766803 Se\n0.446197 0.179512 0.444828 Se\n0.821338 0.314561 0.585530 Se\n0.868789 0.145600 0.681832 Se\n0.634959 0.389420 0.497100 Se\n0.352607 0.854795 0.766803 Se\n0.234458 0.234458 0.663337 Se\n0.621274 0.884815 0.469770 Se\n0.656650 0.656650 0.496584 Se\n0.640273 0.640273 0.690315 Se\n0.236527 0.236527 0.149010 Se\n0.251505 0.475972 0.549569 Se\n0.474339 0.774529 0.434183 Se\n0.029280 0.029280 0.322272 Se\n0.487310 0.994978 0.174739 Se\n0.610580 0.365041 0.997100 Se\n0.431757 0.812109 0.181383 Se\n0.748495 0.524028 0.049569 Se\n0.520628 0.520628 0.269024 Se\n0.872025 0.656160 0.299754 Se\n0.115185 0.378726 0.969770 Se\n0.568243 0.187891 0.681383 Se\n0.145205 0.647393 0.266803 Se\n0.994978 0.487310 0.174739 Se\n0.172222 0.690137 0.470294 Se\n0.123683 0.123683 0.431695 Se\n0.131211 0.854400 0.181832 Se\n0.820488 0.553803 0.944828 Se\n0.827778 0.309863 0.970294 Se\n0.876317 0.876317 0.931695 Se\n0.077935 0.596505 0.551349 Se\n0.365041 0.610580 0.997100 Se\n0.162549 0.379321 0.285500 Se\n",
"nsites": 160,
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"elements": [
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],
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"density": 4.376606602308686,
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"volume": 4584.986774677704,
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"formula_full": "K24 Mo24 Se112",
"formula_reduced": "K3Mo3Se14",
"formula_anonymous": "A3B3C14",
"energy": -824.0272598399999,
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"updated_at": "2021-11-28T01:37:41.414000Z",
"spacegroup": 36
},
{
"id": "mp-1100370",
"created_at": "2022-09-04T14:46:53.484854Z",
"structure_string": "Ca9 Sn3 S15\n1.0\n-4.510200 7.811896 0.000000\n-9.020401 0.000000 0.000000\n-4.510200 2.603965 10.570240\nCa Sn S\n9 3 15\ndirect\n0.504994 0.993865 0.996147 Ca\n0.993865 0.504994 0.996147 Ca\n0.504994 0.504994 0.996147 Ca\n0.301208 0.733418 0.664166 Ca\n0.733418 0.301208 0.664166 Ca\n0.301208 0.301208 0.664166 Ca\n0.701652 0.271060 0.325636 Ca\n0.271060 0.701652 0.325636 Ca\n0.701652 0.701652 0.325636 Ca\n0.007925 0.007925 0.976224 Sn\n0.222814 0.222814 0.331559 Sn\n0.788389 0.788389 0.634834 Sn\n0.084669 0.084669 0.745993 S\n0.298051 0.298051 0.105847 S\n0.865158 0.865158 0.404526 S\n0.388422 0.388422 0.834735 S\n0.500484 0.500484 0.498547 S\n0.616235 0.616235 0.151294 S\n0.836006 0.269114 0.058873 S\n0.269114 0.836006 0.058873 S\n0.836006 0.836006 0.058873 S\n0.342368 0.908645 0.406618 S\n0.908645 0.342368 0.406618 S\n0.342368 0.342368 0.406618 S\n0.616486 0.038323 0.728706 S\n0.038323 0.616486 0.728706 S\n0.616486 0.616486 0.728706 S\n",
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"volume": 744.8471245067063,
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"formula_full": "Ca9 Sn3 S15",
"formula_reduced": "Ca3SnS5",
"formula_anonymous": "AB3C5",
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"spacegroup": 160
},
{
"id": "mp-1226178",
"created_at": "2022-09-04T14:46:53.486506Z",
"structure_string": "Cr12 B1 P3\n1.0\n4.462446 0.000000 0.000000\n-2.166048 -6.326402 0.000000\n-2.191666 0.182559 -6.380707\nCr B P\n12 1 3\ndirect\n0.063495 0.029926 0.603371 Cr\n0.396965 0.947959 0.396701 Cr\n0.985294 0.384839 0.056616 Cr\n0.547579 0.618067 0.939087 Cr\n0.672839 0.014996 0.816697 Cr\n0.833378 0.976522 0.171436 Cr\n0.334857 0.173966 0.021593 Cr\n0.142275 0.815533 0.961694 Cr\n0.652500 0.676607 0.620019 Cr\n0.354932 0.332943 0.385299 Cr\n0.033527 0.404081 0.677588 Cr\n0.979483 0.628372 0.344134 Cr\n0.220681 0.750702 0.667480 B\n0.788544 0.248788 0.340678 P\n0.537174 0.329798 0.750677 P\n0.456478 0.666900 0.246930 P\n",
"nsites": 16,
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"density": 6.708018461398389,
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"formula_full": "Cr12 B1 P3",
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"spacegroup": 1
},
{
"id": "mp-1097316",
"created_at": "2022-09-04T14:46:53.487070Z",
"structure_string": "Zr2 Mn1 Tc1\n1.0\n-4.672885 5.830367 8.373438\n4.672885 -5.830367 8.373438\n4.672885 5.830367 -8.373438\nZr Mn Tc\n2 1 1\ndirect\n0.000000 0.262009 0.262009 Zr\n0.000000 0.737991 0.737991 Zr\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Tc\n",
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"elements": [
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],
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"volume": 912.5250312332839,
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"formula_full": "Zr2 Mn1 Tc1",
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"formula_anonymous": "ABC2",
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},
{
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