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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formation_energy&page=96",
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"results": [
{
"id": "mp-567351",
"created_at": "2022-09-04T14:41:05.939359Z",
"structure_string": "Tb16 Mg4 Ir4\n1.0\n0.000000 6.895964 6.895964\n6.895964 0.000000 6.895964\n6.895964 6.895964 0.000000\nTb Mg Ir\n16 4 4\ndirect\n0.188260 0.811740 0.811740 Tb\n0.811740 0.188260 0.188260 Tb\n0.063043 0.436957 0.063043 Tb\n0.039165 0.653612 0.653612 Tb\n0.653612 0.653612 0.653612 Tb\n0.063043 0.063043 0.436957 Tb\n0.188260 0.811740 0.188260 Tb\n0.811740 0.811740 0.188260 Tb\n0.811740 0.188260 0.811740 Tb\n0.436957 0.063043 0.436957 Tb\n0.436957 0.436957 0.063043 Tb\n0.436957 0.063043 0.063043 Tb\n0.063043 0.436957 0.436957 Tb\n0.188260 0.188260 0.811740 Tb\n0.653612 0.653612 0.039165 Tb\n0.653612 0.039165 0.653612 Tb\n0.420579 0.420579 0.738264 Mg\n0.420579 0.738264 0.420579 Mg\n0.420579 0.420579 0.420579 Mg\n0.738264 0.420579 0.420579 Mg\n0.858721 0.858721 0.423838 Ir\n0.858721 0.423838 0.858721 Ir\n0.858721 0.858721 0.858721 Ir\n0.423838 0.858721 0.858721 Ir\n",
"nsites": 24,
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"elements": [
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"Mg",
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"density": 8.630731201459504,
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"volume": 655.8657504853674,
"volume_molar": 16.457149454524668,
"formula_full": "Tb16 Mg4 Ir4",
"formula_reduced": "Tb4MgIr",
"formula_anonymous": "ABC4",
"energy": -126.09542634,
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"updated_at": "2021-11-28T01:35:09.849000Z",
"spacegroup": 216
},
{
"id": "mp-1219570",
"created_at": "2022-09-04T14:41:06.040783Z",
"structure_string": "Rb2 Sb2 W2 O12\n1.0\n-3.651753 3.708256 5.242286\n3.651753 -3.708256 5.242286\n3.651753 3.708256 -5.242286\nRb Sb W O\n2 2 2 12\ndirect\n0.677189 0.392118 0.785070 Rb\n0.392952 0.607882 0.285070 Rb\n0.001133 0.500000 0.501133 Sb\n0.001133 0.000000 0.001133 Sb\n0.501701 0.999428 0.002274 W\n0.002846 0.000572 0.502274 W\n0.072538 0.324389 0.248149 O\n0.691573 0.940953 0.250619 O\n0.064550 0.932354 0.252623 O\n0.681064 0.311846 0.246718 O\n0.681064 0.934346 0.869219 O\n0.064550 0.311927 0.632195 O\n0.923760 0.675611 0.748149 O\n0.309666 0.059047 0.750619 O\n0.934872 0.065654 0.746718 O\n0.320268 0.688073 0.752623 O\n0.320268 0.067646 0.132195 O\n0.934872 0.688154 0.369219 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Rb",
"Sb",
"W",
"O"
],
"chemical_system": "O-Rb-Sb-W",
"density": 5.696570776680426,
"density_atomic": 0.06338999247018069,
"volume": 283.95649373940824,
"volume_molar": 9.50014430563764,
"formula_full": "Rb2 Sb2 W2 O12",
"formula_reduced": "RbSbWO6",
"formula_anonymous": "ABCD6",
"energy": -134.4470584,
"energy_per_atom": -7.469281022222223,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:10.184000Z",
"spacegroup": 46
},
{
"id": "mp-1044919",
"created_at": "2022-09-04T14:41:05.841669Z",
"structure_string": "Ca6 Ti12 O24\n1.0\n3.090994 -5.353759 0.000000\n3.090994 5.353759 0.000000\n0.000000 0.000000 15.825934\nCa Ti O\n6 12 24\ndirect\n0.333333 0.666667 0.959044 Ca\n0.000000 0.000000 0.627155 Ca\n0.666667 0.333333 0.662348 Ca\n0.666667 0.333333 0.294348 Ca\n0.000000 0.000000 0.999316 Ca\n0.000000 0.000000 0.375959 Ca\n0.344927 0.172464 0.834953 Ti\n0.827536 0.172464 0.834953 Ti\n0.011054 0.505527 0.498136 Ti\n0.827536 0.655073 0.834953 Ti\n0.494473 0.505527 0.498136 Ti\n0.333333 0.666667 0.330661 Ti\n0.333333 0.666667 0.713604 Ti\n0.663327 0.831663 0.170566 Ti\n0.494473 0.988946 0.498136 Ti\n0.168337 0.831663 0.170566 Ti\n0.168337 0.336673 0.170566 Ti\n0.666667 0.333333 0.049478 Ti\n0.699392 0.849696 0.899880 O\n0.000000 0.000000 0.767442 O\n0.150304 0.849696 0.899880 O\n0.150304 0.300608 0.899880 O\n0.359899 0.179950 0.560935 O\n0.498753 0.997506 0.755518 O\n0.666667 0.333333 0.431706 O\n0.498753 0.501247 0.755518 O\n0.666667 0.333333 0.925599 O\n0.820050 0.179950 0.560935 O\n0.820050 0.640101 0.560935 O\n0.002494 0.501247 0.755518 O\n0.045330 0.522665 0.246170 O\n0.192727 0.385454 0.417920 O\n0.192727 0.807273 0.417920 O\n0.333333 0.666667 0.102819 O\n0.333333 0.666667 0.586727 O\n0.477335 0.522665 0.246170 O\n0.477335 0.954670 0.246170 O\n0.614546 0.807273 0.417920 O\n0.830642 0.661283 0.095132 O\n0.830642 0.169358 0.095132 O\n0.000000 0.000000 0.235551 O\n0.338717 0.169358 0.095132 O\n",
"nsites": 42,
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"elements": [
"Ca",
"Ti",
"O"
],
"chemical_system": "Ca-O-Ti",
"density": 3.800671837620706,
"density_atomic": 0.08018496887857539,
"volume": 523.7889418352319,
"volume_molar": 7.510311276817188,
"formula_full": "Ca6 Ti12 O24",
"formula_reduced": "CaTi2O4",
"formula_anonymous": "AB2C4",
"energy": -361.83106544,
"energy_per_atom": -8.615025367619047,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:57.842000Z",
"spacegroup": 156
},
{
"id": "mp-1283096",
"created_at": "2022-09-04T14:41:05.842422Z",
"structure_string": "Ca2 V8 Co6 O24\n1.0\n-3.738538 -3.733568 3.754230\n-3.703382 3.705253 -3.746296\n-0.020746 -7.431932 -7.496024\nCa V Co O\n2 8 6 24\ndirect\n0.003175 0.001128 0.999013 Ca\n0.496806 0.498717 0.500973 Ca\n0.750137 0.749987 0.250005 V\n0.249765 0.249831 0.749924 V\n0.499982 0.001902 0.999026 V\n0.000135 0.498278 0.500949 V\n0.001233 0.500509 0.000279 V\n0.499032 0.999449 0.499854 V\n0.250202 0.250206 0.250049 V\n0.749876 0.749676 0.749992 V\n0.249881 0.750030 0.749948 Co\n0.499903 0.496648 0.998072 Co\n0.000051 0.003347 0.501900 Co\n0.250021 0.750063 0.250013 Co\n0.749987 0.250126 0.749982 Co\n0.749933 0.249945 0.250034 Co\n0.031234 0.335379 0.146119 O\n0.535734 0.843675 0.646198 O\n0.468659 0.164592 0.353868 O\n0.964221 0.656208 0.853894 O\n0.671501 0.961692 0.153599 O\n0.172774 0.473524 0.648313 O\n0.828482 0.538307 0.346357 O\n0.327059 0.026412 0.851702 O\n0.396004 0.209809 0.092187 O\n0.888204 0.711162 0.599010 O\n0.103891 0.290048 0.407805 O\n0.612011 0.789133 0.901034 O\n0.711289 0.895476 0.409374 O\n0.208854 0.394239 0.905311 O\n0.788943 0.604705 0.090564 O\n0.291019 0.105636 0.594738 O\n0.065754 0.948837 0.239099 O\n0.556836 0.435516 0.740483 O\n0.434256 0.551189 0.260790 O\n0.942969 0.064437 0.759582 O\n0.254083 0.758428 0.058794 O\n0.748355 0.269317 0.556049 O\n0.246293 0.741430 0.441138 O\n0.751456 0.231006 0.943978 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
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"V",
"Co",
"O"
],
"chemical_system": "Ca-Co-O-V",
"density": 4.903873623022105,
"density_atomic": 0.0964089563087111,
"volume": 414.899211976904,
"volume_molar": 6.246453639344984,
"formula_full": "Ca2 V8 Co6 O24",
"formula_reduced": "CaV4(CoO4)3",
"formula_anonymous": "AB3C4D12",
"energy": -320.96255096,
"energy_per_atom": -8.024063774,
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"updated_at": "2021-11-28T01:35:12.310000Z",
"spacegroup": 2
},
{
"id": "mp-573282",
"created_at": "2022-09-04T14:41:05.846140Z",
"structure_string": "La8 Ni88 C12\n1.0\n9.426958 0.021570 0.000000\n-2.555737 9.073931 0.000000\n0.000000 0.000000 14.702403\nLa Ni C\n8 88 12\ndirect\n0.313300 0.186700 0.750000 La\n0.792947 0.207053 0.971551 La\n0.207053 0.792947 0.028449 La\n0.686700 0.813300 0.250000 La\n0.813300 0.686700 0.750000 La\n0.292947 0.707053 0.528449 La\n0.707053 0.292947 0.471551 La\n0.186700 0.313300 0.250000 La\n0.362370 0.288700 0.072004 Ni\n0.570582 0.069922 0.317741 Ni\n0.253254 0.100546 0.950876 Ni\n0.090187 0.468171 0.951962 Ni\n0.211300 0.137630 0.427996 Ni\n0.822060 0.395460 0.656358 Ni\n0.899454 0.746746 0.950876 Ni\n0.769711 0.007435 0.421651 Ni\n0.840171 0.159829 0.287970 Ni\n0.938686 0.061314 0.156105 Ni\n0.322060 0.895460 0.843642 Ni\n0.531829 0.909813 0.951962 Ni\n0.545280 0.796861 0.799815 Ni\n0.677940 0.104540 0.156358 Ni\n0.862370 0.788700 0.427996 Ni\n0.569922 0.070582 0.817741 Ni\n0.446615 0.295508 0.368944 Ni\n0.788700 0.862370 0.572004 Ni\n0.295508 0.446615 0.631056 Ni\n0.142963 0.857037 0.411799 Ni\n0.007435 0.769711 0.578349 Ni\n0.045280 0.296861 0.700185 Ni\n0.246746 0.399454 0.450876 Ni\n0.061314 0.938686 0.843895 Ni\n0.031829 0.409813 0.548038 Ni\n0.069922 0.570582 0.682259 Ni\n0.203139 0.454720 0.799815 Ni\n0.659829 0.340171 0.787970 Ni\n0.677945 0.322055 0.265475 Ni\n0.177940 0.604540 0.343642 Ni\n0.502926 0.497074 0.176172 Ni\n0.000000 0.000000 0.000000 Ni\n0.159829 0.840171 0.712030 Ni\n0.070582 0.569922 0.182259 Ni\n0.230289 0.992565 0.578349 Ni\n0.053385 0.204492 0.868944 Ni\n0.438686 0.561314 0.343895 Ni\n0.604540 0.177940 0.656358 Ni\n0.399454 0.246746 0.549124 Ni\n0.590187 0.968171 0.548038 Ni\n0.269711 0.507435 0.078349 Ni\n0.497074 0.502926 0.823828 Ni\n0.930078 0.429418 0.317741 Ni\n0.642963 0.357037 0.088201 Ni\n0.357037 0.642963 0.911799 Ni\n0.561314 0.438686 0.656105 Ni\n0.177945 0.822055 0.234525 Ni\n0.946615 0.795508 0.131056 Ni\n0.600546 0.753254 0.450876 Ni\n0.704492 0.553385 0.368944 Ni\n0.553385 0.704492 0.631056 Ni\n0.454720 0.203139 0.200185 Ni\n0.753254 0.600546 0.549124 Ni\n0.395460 0.822060 0.343642 Ni\n0.992565 0.230289 0.421651 Ni\n0.909813 0.531829 0.048038 Ni\n0.104540 0.677940 0.843642 Ni\n0.500000 0.500000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.822055 0.177945 0.765475 Ni\n0.796861 0.545280 0.200185 Ni\n0.895460 0.322060 0.156358 Ni\n0.968171 0.590187 0.451962 Ni\n0.409813 0.031829 0.451962 Ni\n0.492565 0.730289 0.078349 Ni\n0.507435 0.269711 0.921651 Ni\n0.730289 0.492565 0.921651 Ni\n0.204492 0.053385 0.131056 Ni\n0.429418 0.930078 0.682259 Ni\n0.340171 0.659829 0.212030 Ni\n0.288700 0.362370 0.927996 Ni\n0.746746 0.899454 0.049124 Ni\n0.711300 0.637630 0.072004 Ni\n0.296861 0.045280 0.299815 Ni\n0.929418 0.430078 0.817741 Ni\n0.954720 0.703139 0.299815 Ni\n0.322055 0.677945 0.734525 Ni\n0.430078 0.929418 0.182259 Ni\n0.637630 0.711300 0.927996 Ni\n0.857037 0.142963 0.588201 Ni\n0.000000 0.000000 0.500000 Ni\n0.002926 0.997074 0.323828 Ni\n0.100546 0.253254 0.049124 Ni\n0.137630 0.211300 0.572004 Ni\n0.468171 0.090187 0.048038 Ni\n0.795508 0.946615 0.868944 Ni\n0.703139 0.954720 0.700185 Ni\n0.997074 0.002926 0.676172 Ni\n0.053032 0.946968 0.208810 C\n0.942122 0.566416 0.916748 C\n0.553032 0.446968 0.291190 C\n0.066416 0.442122 0.416748 C\n0.433584 0.057878 0.916748 C\n0.057878 0.433584 0.083252 C\n0.442122 0.066416 0.583252 C\n0.446968 0.553032 0.708810 C\n0.946968 0.053032 0.791190 C\n0.566416 0.942122 0.083252 C\n0.933584 0.557878 0.583252 C\n0.557878 0.933584 0.416748 C\n",
"nsites": 108,
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"elements": [
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"Ni",
"C"
],
"chemical_system": "C-La-Ni",
"density": 8.471794923224525,
"density_atomic": 0.08582001589690279,
"volume": 1258.4476811300344,
"volume_molar": 7.017175069315429,
"formula_full": "La8 Ni88 C12",
"formula_reduced": "La2Ni22C3",
"formula_anonymous": "A2B3C22",
"energy": -671.2463987,
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"energy_uncorrected": -671.2463987,
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"updated_at": "2021-11-28T01:35:09.492000Z",
"spacegroup": 64
},
{
"id": "mp-771336",
"created_at": "2022-09-04T14:41:05.846984Z",
"structure_string": "Na6 Mg2 P2 C2 O14\n1.0\n6.584755 0.000000 0.000000\n0.000000 5.303371 0.000000\n0.000000 0.045539 9.020072\nNa Mg P C O\n6 2 2 2 14\ndirect\n0.511634 0.999478 0.004648 Na\n0.810274 0.546940 0.167078 Na\n0.514382 0.498760 0.488991 Na\n0.014382 0.501240 0.511009 Na\n0.310274 0.453060 0.832922 Na\n0.011634 0.000522 0.995352 Na\n0.255736 0.983570 0.294080 Mg\n0.755736 0.016430 0.705920 Mg\n0.759529 0.022176 0.346871 P\n0.259529 0.977824 0.653129 P\n0.259368 0.509770 0.152869 C\n0.759368 0.490230 0.847131 C\n0.258551 0.679591 0.047849 O\n0.250319 0.269438 0.118275 O\n0.945409 0.926370 0.254008 O\n0.565337 0.956967 0.256039 O\n0.264889 0.578435 0.290230 O\n0.776926 0.309187 0.370183 O\n0.753048 0.880275 0.498827 O\n0.253048 0.119725 0.501173 O\n0.276926 0.690813 0.629817 O\n0.764889 0.421565 0.709770 O\n0.065337 0.043033 0.743961 O\n0.445409 0.073630 0.745992 O\n0.750319 0.730562 0.881725 O\n0.758551 0.320409 0.952151 O\n",
"nsites": 26,
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"volume": 314.9935306968342,
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"formula_full": "Na6 Mg2 P2 C2 O14",
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},
{
"id": "mp-1232339",
"created_at": "2022-09-04T14:41:05.850183Z",
"structure_string": "Li2 C24\n1.0\n2.150609 -3.722853 0.000000\n2.150609 3.722853 0.000000\n0.000000 0.000000 14.710718\nLi C\n2 24\ndirect\n0.833397 0.833397 0.750000 Li\n0.166603 0.166603 0.250000 Li\n0.832973 0.166435 0.121896 C\n0.832973 0.166435 0.378104 C\n0.500378 0.166973 0.121809 C\n0.500378 0.166973 0.378191 C\n0.833565 0.167027 0.621896 C\n0.833565 0.167027 0.878104 C\n0.833027 0.499622 0.621809 C\n0.833027 0.499622 0.878191 C\n0.166435 0.832973 0.121896 C\n0.166435 0.832973 0.378104 C\n0.833502 0.833502 0.121868 C\n0.833502 0.833502 0.378132 C\n0.167027 0.833565 0.621896 C\n0.167027 0.833565 0.878104 C\n0.166498 0.166498 0.621868 C\n0.166498 0.166498 0.878132 C\n0.499772 0.499772 0.121909 C\n0.499772 0.499772 0.378091 C\n0.166973 0.500378 0.121809 C\n0.166973 0.500378 0.378191 C\n0.500228 0.500228 0.621909 C\n0.500228 0.500228 0.878091 C\n0.499622 0.833027 0.621809 C\n0.499622 0.833027 0.878191 C\n",
"nsites": 26,
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"elements": [
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"density": 2.12987631726406,
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"volume": 235.55981953924987,
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"formula_full": "Li2 C24",
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