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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=density_atomic&page=10151",
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"results": [
{
"id": "mp-759328",
"created_at": "2022-09-04T14:43:19.526910Z",
"structure_string": "Li4 Ti4 V6 O20\n1.0\n-1.059753 5.024783 -0.368120\n-2.206390 1.684811 7.222319\n10.448656 -0.257738 0.465486\nLi Ti V O\n4 4 6 20\ndirect\n0.556701 0.399049 0.110914 Li\n0.546496 0.392510 0.604877 Li\n0.453381 0.607648 0.395177 Li\n0.443236 0.601010 0.889126 Li\n0.021643 0.682880 0.069015 Ti\n0.002177 0.687673 0.558725 Ti\n0.997714 0.312317 0.441263 Ti\n0.978366 0.317076 0.930998 Ti\n0.499986 0.000018 0.499992 V\n0.957890 0.888031 0.842063 V\n0.042184 0.111965 0.157924 V\n0.500032 0.999991 0.999970 V\n0.962492 0.894172 0.345584 V\n0.037531 0.105792 0.654433 V\n0.215203 0.857897 0.019176 O\n0.214415 0.866025 0.530544 O\n0.785705 0.133939 0.469471 O\n0.784836 0.142093 0.980825 O\n0.768486 0.518115 0.026392 O\n0.774582 0.505875 0.528811 O\n0.225348 0.494057 0.471147 O\n0.231459 0.481895 0.973594 O\n0.798919 0.932904 0.152455 O\n0.784295 0.937260 0.662423 O\n0.215768 0.062752 0.337588 O\n0.201130 0.067068 0.847545 O\n0.284331 0.209743 0.109911 O\n0.279546 0.220800 0.592627 O\n0.720524 0.779234 0.407325 O\n0.715627 0.790258 0.890111 O\n0.173675 0.680088 0.240670 O\n0.156591 0.691458 0.743218 O\n0.843433 0.308495 0.256811 O\n0.826295 0.319912 0.759294 O\n",
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"formula_full": "Li4 Ti4 V6 O20",
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"updated_at": "2021-11-28T01:36:11.754000Z",
"spacegroup": 2
},
{
"id": "mp-778878",
"created_at": "2022-09-04T14:42:12.024716Z",
"structure_string": "Ba4 Li16 O12\n1.0\n2.899329 -4.597498 0.000000\n2.899329 4.597498 0.000000\n0.000000 0.000000 13.691172\nBa Li O\n4 16 12\ndirect\n0.728834 0.271166 0.342248 Ba\n0.271166 0.728834 0.842248 Ba\n0.773332 0.226668 0.655565 Ba\n0.226668 0.773332 0.155565 Ba\n0.916255 0.083745 0.176789 Li\n0.083745 0.916255 0.676789 Li\n0.548663 0.451337 0.158244 Li\n0.451337 0.548663 0.658244 Li\n0.210889 0.435709 0.492001 Li\n0.435709 0.210889 0.992001 Li\n0.054894 0.300385 0.005432 Li\n0.300385 0.054894 0.505432 Li\n0.945106 0.699615 0.505432 Li\n0.699615 0.945106 0.005432 Li\n0.789111 0.564291 0.992001 Li\n0.564291 0.789111 0.492001 Li\n0.416470 0.583530 0.320863 Li\n0.583530 0.416470 0.820863 Li\n0.049805 0.950195 0.342268 Li\n0.950195 0.049805 0.842268 Li\n0.745507 0.760226 0.249490 O\n0.760226 0.745507 0.749490 O\n0.061654 0.938346 0.989841 O\n0.938346 0.061654 0.489841 O\n0.247052 0.752948 0.397516 O\n0.752948 0.247052 0.897516 O\n0.239774 0.254493 0.249490 O\n0.254493 0.239774 0.749490 O\n0.569097 0.430903 0.508254 O\n0.430903 0.569097 0.008254 O\n0.743255 0.256745 0.102299 O\n0.256745 0.743255 0.602299 O\n",
"nsites": 32,
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"elements": [
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"Li",
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],
"chemical_system": "Ba-Li-O",
"density": 3.8777593804295596,
"density_atomic": 0.08767187761905264,
"volume": 364.99731577604354,
"volume_molar": 6.868953789454697,
"formula_full": "Ba4 Li16 O12",
"formula_reduced": "BaLi4O3",
"formula_anonymous": "AB3C4",
"energy": -166.89944162,
"energy_per_atom": -5.215607550625,
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"updated_at": "2021-11-28T01:35:35.715000Z",
"spacegroup": 36
},
{
"id": "mp-1262752",
"created_at": "2022-09-04T14:40:25.679205Z",
"structure_string": "Zn6 Co4 Si8 O28\n1.0\n3.793736 8.448078 0.000000\n-3.793736 8.448078 0.000000\n0.000000 5.415346 8.185445\nZn Co Si O\n6 4 8 28\ndirect\n0.069501 0.263847 0.110161 Zn\n0.736153 0.930499 0.389839 Zn\n0.263847 0.069501 0.610161 Zn\n0.387887 0.612113 0.750000 Zn\n0.930499 0.736153 0.889839 Zn\n0.612113 0.387887 0.250000 Zn\n0.789308 0.210692 0.750000 Co\n0.210692 0.789308 0.250000 Co\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.541264 0.089055 0.707808 Si\n0.089055 0.541264 0.207808 Si\n0.521349 0.240503 0.101847 Si\n0.240503 0.521349 0.601847 Si\n0.910945 0.458736 0.792192 Si\n0.478651 0.759497 0.898153 Si\n0.759497 0.478651 0.398153 Si\n0.458736 0.910945 0.292192 Si\n0.832577 0.301983 0.328696 O\n0.970248 0.889529 0.411759 O\n0.450184 0.642784 0.092519 O\n0.889529 0.970248 0.911759 O\n0.237013 0.984394 0.304170 O\n0.057374 0.515820 0.622808 O\n0.642784 0.450184 0.592519 O\n0.015606 0.762987 0.195830 O\n0.942626 0.484180 0.377192 O\n0.623620 0.681540 0.273616 O\n0.029752 0.110471 0.588241 O\n0.762987 0.015606 0.695830 O\n0.484180 0.942626 0.877192 O\n0.301983 0.832577 0.828696 O\n0.681540 0.623620 0.773616 O\n0.984394 0.237013 0.804170 O\n0.912013 0.487980 0.942336 O\n0.376380 0.318460 0.726384 O\n0.512020 0.087987 0.557664 O\n0.318460 0.376380 0.226384 O\n0.515820 0.057374 0.122808 O\n0.110471 0.029752 0.088241 O\n0.487980 0.912013 0.442336 O\n0.549816 0.357216 0.907481 O\n0.087987 0.512020 0.057664 O\n0.357216 0.549816 0.407481 O\n0.698017 0.167423 0.171304 O\n0.167423 0.698017 0.671304 O\n",
"nsites": 46,
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"elements": [
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"O"
],
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"density": 4.1169949697986565,
"density_atomic": 0.08767192059063708,
"volume": 524.683384259208,
"volume_molar": 6.868950422700257,
"formula_full": "Zn6 Co4 Si8 O28",
"formula_reduced": "Zn3Co2(Si2O7)2",
"formula_anonymous": "A2B3C4D14",
"energy": -325.55574277,
"energy_per_atom": -7.077298755869565,
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"updated_at": "2021-11-28T01:34:47.750000Z",
"spacegroup": 15
},
{
"id": "mp-756057",
"created_at": "2022-09-04T14:45:13.869155Z",
"structure_string": "Li4 V2 Fe2 P4 O16 F4\n1.0\n5.225180 -0.007204 -0.018452\n2.387815 2.454760 6.561311\n-1.381011 -8.192270 6.521885\nLi V Fe P O F\n4 2 2 4 16 4\ndirect\n0.461858 0.620717 0.191886 Li\n0.961874 0.120742 0.691895 Li\n0.538143 0.379285 0.808113 Li\n0.038127 0.879259 0.308104 Li\n0.499995 0.500003 0.499999 V\n0.000006 0.000001 0.999999 V\n0.999991 0.499979 0.000013 Fe\n0.499998 0.000002 0.499998 Fe\n0.998716 0.441032 0.320752 P\n0.498749 0.940937 0.820759 P\n0.001284 0.558969 0.679248 P\n0.501252 0.059063 0.179240 P\n0.745936 0.536848 0.377278 O\n0.246075 0.036895 0.877276 O\n0.254064 0.463153 0.622721 O\n0.753925 0.963107 0.122723 O\n0.645031 0.716033 0.894211 O\n0.144945 0.216052 0.394209 O\n0.354970 0.283968 0.105789 O\n0.855056 0.783949 0.605790 O\n0.862840 0.486715 0.170919 O\n0.362917 0.986761 0.670900 O\n0.137161 0.513286 0.829081 O\n0.637083 0.013240 0.329100 O\n0.796223 0.444890 0.667079 O\n0.296026 0.944970 0.166886 O\n0.203778 0.555111 0.332921 O\n0.703975 0.055032 0.833113 O\n0.834847 0.301065 0.963847 F\n0.334905 0.800834 0.463844 F\n0.165153 0.698936 0.036153 F\n0.665095 0.199167 0.536155 F\n",
"nsites": 32,
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"elements": [
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"Fe",
"P",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O-P-V",
"density": 3.171988641909832,
"density_atomic": 0.08767284941949426,
"volume": 364.99327000183854,
"volume_molar": 6.868877651261742,
"formula_full": "Li4 V2 Fe2 P4 O16 F4",
"formula_reduced": "Li2VFeP2(O4F)2",
"formula_anonymous": "ABC2D2E2F8",
"energy": -237.46884779,
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"updated_at": "2021-11-28T01:36:59.584000Z",
"spacegroup": 2
},
{
"id": "mp-865212",
"created_at": "2022-09-04T14:43:01.158989Z",
"structure_string": "Fe6 Re2\n1.0\n2.547238 -4.411945 0.000000\n2.547238 4.411945 0.000000\n0.000000 0.000000 4.059677\nFe Re\n6 2\ndirect\n0.162575 0.325151 0.250000 Fe\n0.674849 0.837425 0.250000 Fe\n0.162575 0.837425 0.250000 Fe\n0.837425 0.674849 0.750000 Fe\n0.325151 0.162575 0.750000 Fe\n0.837425 0.162575 0.750000 Fe\n0.333333 0.666667 0.750000 Re\n0.666667 0.333333 0.250000 Re\n",
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],
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"density": 12.874922645559751,
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"volume": 91.2475246132524,
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"formula_full": "Fe6 Re2",
"formula_reduced": "Fe3Re",
"formula_anonymous": "AB3",
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},
{
"id": "mp-20313",
"created_at": "2022-09-04T14:42:38.209190Z",
"structure_string": "Fe8 Si4 O16\n1.0\n4.881874 -0.000045 -0.002436\n-0.000061 6.171743 -0.002201\n-0.005334 -0.003771 10.599716\nFe Si O\n8 4 16\ndirect\n0.986234 0.249876 0.279589 Fe\n0.013766 0.750125 0.720412 Fe\n0.999998 0.499999 0.999999 Fe\n0.000002 0.999999 0.000000 Fe\n0.486183 0.750129 0.220296 Fe\n0.513819 0.249872 0.779705 Fe\n0.500000 0.500001 0.500000 Fe\n0.499999 0.999999 0.500000 Fe\n0.928157 0.750035 0.403562 Si\n0.429536 0.249867 0.096435 Si\n0.071842 0.249965 0.596438 Si\n0.570464 0.750133 0.903565 Si\n0.788699 0.749992 0.547673 O\n0.289277 0.249735 0.952625 O\n0.211302 0.250008 0.452327 O\n0.710722 0.750265 0.047375 O\n0.233747 0.750330 0.907743 O\n0.735297 0.250028 0.591480 O\n0.766253 0.249671 0.092256 O\n0.264704 0.749972 0.408520 O\n0.212043 0.463727 0.665307 O\n0.713015 0.536889 0.835015 O\n0.787985 0.963690 0.334748 O\n0.287648 0.036824 0.165197 O\n0.787955 0.536275 0.334693 O\n0.286984 0.463110 0.164985 O\n0.212015 0.036312 0.665253 O\n0.712354 0.963175 0.834803 O\n",
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"formula_full": "Fe8 Si4 O16",
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},
{
"id": "mp-1228906",
"created_at": "2022-09-04T14:48:08.415784Z",
"structure_string": "Al1 Cr1 Fe2\n1.0\n2.822781 0.000000 0.000000\n0.000000 2.822781 0.000000\n0.000000 0.000000 5.725798\nAl Cr Fe\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.241164 Fe\n0.500000 0.500000 0.758836 Fe\n",
"nsites": 4,
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"volume": 45.623688523800745,
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"formula_full": "Al1 Cr1 Fe2",
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"updated_at": "2021-11-28T01:38:26.623000Z",
"spacegroup": 123
},
{
"id": "mp-1215243",
"created_at": "2022-09-04T14:41:12.133660Z",
"structure_string": "Zr1 Nb4 C1 N4\n1.0\n13.044620 -1.590717 0.000000\n13.044620 1.590717 0.000000\n12.850641 0.000000 2.748366\nZr Nb C N\n1 4 1 4\ndirect\n0.699356 0.699356 0.699356 Zr\n0.299636 0.299636 0.299636 Nb\n0.899247 0.899247 0.899247 Nb\n0.500079 0.500079 0.500079 Nb\n0.102518 0.102518 0.102518 Nb\n0.997839 0.997839 0.997839 C\n0.597704 0.597704 0.597704 N\n0.199231 0.199231 0.199231 N\n0.801594 0.801594 0.801594 N\n0.402794 0.402794 0.402794 N\n",
"nsites": 10,
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"N"
],
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"formula_full": "Zr1 Nb4 C1 N4",
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{
"id": "mp-1233432",
"created_at": "2022-09-04T14:42:17.801918Z",
"structure_string": "Mg1 Mn12 Zn6 O24\n1.0\n6.180109 0.187603 -0.195391\n3.244152 5.410445 -0.303862\n8.960784 5.008426 14.476995\nMg Mn Zn O\n1 12 6 24\ndirect\n0.011136 0.484934 0.998854 Mg\n0.512386 0.450642 0.173545 Mn\n0.505197 0.958517 0.167593 Mn\n0.506571 0.504579 0.499366 Mn\n0.009496 0.454434 0.173919 Mn\n0.508556 0.008090 0.500403 Mn\n0.491995 0.514214 0.663750 Mn\n0.874570 0.859462 0.292909 Mn\n0.480222 0.549789 0.824230 Mn\n0.007960 0.506109 0.500908 Mn\n0.479659 0.030509 0.834289 Mn\n0.983084 0.536953 0.825130 Mn\n0.806123 0.987660 0.951197 Mn\n0.136079 0.008532 0.072305 Zn\n0.137240 0.106201 0.381567 Zn\n0.501186 0.492127 0.336980 Zn\n0.110011 0.144176 0.707567 Zn\n0.497729 0.522069 0.994876 Zn\n0.865298 0.901497 0.620796 Zn\n0.258734 0.223080 0.088764 O\n0.300845 0.190900 0.244450 O\n0.256466 0.644388 0.103484 O\n0.764691 0.270008 0.075813 O\n0.267195 0.252604 0.425231 O\n0.291532 0.701893 0.243171 O\n0.252475 0.258051 0.575607 O\n0.770613 0.265872 0.238926 O\n0.745755 0.740921 0.080578 O\n0.271616 0.718583 0.425865 O\n0.734255 0.265038 0.423458 O\n0.754485 0.721530 0.238580 O\n0.236235 0.273009 0.759509 O\n0.275143 0.732161 0.583917 O\n0.728035 0.294182 0.581366 O\n0.254999 0.240128 0.919470 O\n0.753833 0.746577 0.430042 O\n0.231226 0.730904 0.753934 O\n0.700945 0.300743 0.749857 O\n0.738107 0.752440 0.579196 O\n0.222059 0.727362 0.920104 O\n0.732994 0.359064 0.892211 O\n0.691964 0.806466 0.754980 O\n0.737133 0.763600 0.909160 O\n",
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