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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_anonymous&page=11456",
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"results": [
{
"id": "mp-752808",
"created_at": "2022-09-04T14:44:15.495775Z",
"structure_string": "Li4 Cr3 Fe2 Co3 O16\n1.0\n5.706965 -0.013467 0.014387\n-2.865146 4.962771 0.000533\n0.021405 0.013313 9.416328\nLi Cr Fe Co O\n4 3 2 3 16\ndirect\n0.338712 0.669093 0.890688 Li\n0.988082 0.994219 0.995396 Li\n0.990385 0.995024 0.497697 Li\n0.667232 0.333812 0.395721 Li\n0.173287 0.826992 0.214528 Cr\n0.172484 0.345612 0.214561 Cr\n0.347554 0.173071 0.715008 Cr\n0.338298 0.668952 0.498864 Fe\n0.675654 0.338246 0.991913 Fe\n0.657805 0.829196 0.213163 Co\n0.829358 0.660087 0.712966 Co\n0.828461 0.169241 0.713022 Co\n0.164953 0.838582 0.602297 O\n0.032532 0.516148 0.334453 O\n0.337287 0.668562 0.100911 O\n0.997317 0.998388 0.307353 O\n0.996722 0.998573 0.806482 O\n0.164784 0.326050 0.602689 O\n0.480028 0.959931 0.337699 O\n0.480101 0.520521 0.337569 O\n0.324678 0.162297 0.102160 O\n0.668898 0.834552 0.605715 O\n0.521725 0.482095 0.836395 O\n0.521050 0.039072 0.836660 O\n0.673467 0.337275 0.605156 O\n0.835254 0.670312 0.103267 O\n0.958953 0.479607 0.832519 O\n0.834937 0.164792 0.102994 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Cr",
"Fe",
"Co",
"O"
],
"chemical_system": "Co-Cr-Fe-Li-O",
"density": 4.540498332742272,
"density_atomic": 0.10513383961183777,
"volume": 266.32718926064297,
"volume_molar": 5.728070792652686,
"formula_full": "Li4 Cr3 Fe2 Co3 O16",
"formula_reduced": "Li4Cr3Fe2Co3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -204.65440296,
"energy_per_atom": -7.30908582,
"energy_above_hull": null,
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"decomposes_to": null,
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"energy_uncorrected": -178.23940296,
"band_gap": 0.6847000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.9999998,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:27.517000Z",
"spacegroup": 8
},
{
"id": "mp-756278",
"created_at": "2022-09-04T14:43:40.735157Z",
"structure_string": "Li4 Ti3 Cr3 Co2 O16\n1.0\n5.814109 -0.023779 -0.006411\n-2.927656 5.070242 -0.000438\n-0.009774 -0.006499 9.396076\nLi Ti Cr Co O\n4 3 3 2 16\ndirect\n0.336662 0.668239 0.892904 Li\n0.989932 0.994903 0.994724 Li\n0.999859 0.999832 0.498301 Li\n0.666000 0.333111 0.395591 Li\n0.166969 0.830699 0.211673 Ti\n0.166950 0.336373 0.211767 Ti\n0.340474 0.170046 0.715869 Ti\n0.653093 0.826594 0.213064 Cr\n0.829951 0.659499 0.708840 Cr\n0.830076 0.170472 0.708588 Cr\n0.333868 0.667092 0.484060 Co\n0.672302 0.336073 0.979874 Co\n0.170488 0.832459 0.602612 O\n0.045229 0.522717 0.343237 O\n0.325134 0.662525 0.099793 O\n0.996963 0.998537 0.310885 O\n0.998580 0.999355 0.808097 O\n0.170315 0.338296 0.602721 O\n0.477299 0.954589 0.344249 O\n0.477276 0.522858 0.344287 O\n0.338257 0.169071 0.102871 O\n0.667387 0.833906 0.605389 O\n0.527743 0.480660 0.844054 O\n0.527864 0.046969 0.843924 O\n0.663494 0.331743 0.599858 O\n0.836593 0.665063 0.101028 O\n0.954663 0.477199 0.838544 O\n0.836581 0.171418 0.101032 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Ti",
"Cr",
"Co",
"O"
],
"chemical_system": "Co-Cr-Li-O-Ti",
"density": 4.21372728681426,
"density_atomic": 0.10132747061841256,
"volume": 276.33177685293987,
"volume_molar": 5.94324591667612,
"formula_full": "Li4 Ti3 Cr3 Co2 O16",
"formula_reduced": "Li4Ti3Cr3(CoO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -222.52820435,
"energy_per_atom": -7.947435869642858,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -202.26320435,
"band_gap": 0.2543000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.000216,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:13.464000Z",
"spacegroup": 8
},
{
"id": "mp-764048",
"created_at": "2022-09-04T14:43:57.522680Z",
"structure_string": "Li4 Fe2 Ni3 Sb3 O16\n1.0\n6.050321 0.000000 0.000000\n-3.014578 5.280518 0.000000\n-0.085683 -0.333775 9.687633\nLi Fe Ni Sb O\n4 2 3 3 16\ndirect\n0.662094 0.333156 0.882933 Li\n0.980457 0.958242 0.985740 Li\n0.992580 0.982810 0.504488 Li\n0.324870 0.653689 0.402883 Li\n0.682311 0.353819 0.505998 Fe\n0.348198 0.703712 0.973616 Fe\n0.828897 0.658174 0.215575 Ni\n0.170181 0.832654 0.712548 Ni\n0.664001 0.837311 0.713364 Ni\n0.336323 0.167095 0.216044 Sb\n0.830617 0.166842 0.214859 Sb\n0.174793 0.345389 0.715533 Sb\n0.336038 0.187830 0.594093 O\n0.514961 0.025582 0.336032 O\n0.656873 0.318426 0.100982 O\n0.003038 0.004161 0.317565 O\n0.019177 0.008767 0.804511 O\n0.848021 0.174917 0.596758 O\n0.510156 0.471441 0.339832 O\n0.961833 0.468841 0.339248 O\n0.153567 0.309277 0.102251 O\n0.856695 0.678345 0.599479 O\n0.033594 0.508286 0.846485 O\n0.480501 0.521574 0.845901 O\n0.319301 0.665138 0.608347 O\n0.170091 0.847033 0.100434 O\n0.463538 0.967032 0.835461 O\n0.676989 0.850455 0.096879 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Fe",
"Ni",
"Sb",
"O"
],
"chemical_system": "Fe-Li-Ni-O-Sb",
"density": 5.026034784967367,
"density_atomic": 0.09046600439465274,
"volume": 309.50852961131795,
"volume_molar": 6.656799756214231,
"formula_full": "Li4 Fe2 Ni3 Sb3 O16",
"formula_reduced": "Li4Fe2Ni3Sb3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -183.84553616,
"energy_per_atom": -6.565912005714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -160.71853616,
"band_gap": 0.6627000000000005,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.999521,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:25.688000Z",
"spacegroup": 1
},
{
"id": "mp-776806",
"created_at": "2022-09-04T14:43:51.030517Z",
"structure_string": "Li4 V3 Fe3 Sn2 O16\n1.0\n5.987309 0.000000 0.000000\n-2.979931 5.198256 0.000000\n-0.027287 -0.029495 9.803032\nLi V Fe Sn O\n4 3 3 2 16\ndirect\n0.658788 0.330953 0.104281 Li\n0.007427 0.002972 0.006894 Li\n0.005913 0.002070 0.505836 Li\n0.324798 0.663262 0.606561 Li\n0.173603 0.824436 0.282795 V\n0.342980 0.170991 0.780102 V\n0.171510 0.342775 0.286386 V\n0.833054 0.662266 0.787101 Fe\n0.832343 0.170430 0.787141 Fe\n0.668772 0.832165 0.285643 Fe\n0.665779 0.331749 0.508294 Sn\n0.336431 0.667921 0.007987 Sn\n0.842086 0.677334 0.400524 O\n0.959382 0.479008 0.660965 O\n0.641576 0.321104 0.892681 O\n0.015660 0.007645 0.693278 O\n0.011652 0.994202 0.194113 O\n0.842807 0.161478 0.399829 O\n0.508343 0.475139 0.660945 O\n0.509643 0.033396 0.661505 O\n0.682185 0.841414 0.901332 O\n0.324012 0.157351 0.400942 O\n0.476679 0.964226 0.162713 O\n0.479212 0.516527 0.162432 O\n0.326395 0.679017 0.393945 O\n0.164284 0.840365 0.899119 O\n0.031555 0.526604 0.158494 O\n0.163130 0.323504 0.900322 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"V",
"Fe",
"Sn",
"O"
],
"chemical_system": "Fe-Li-O-Sn-V",
"density": 4.580057780408231,
"density_atomic": 0.09177159402114753,
"volume": 305.10530299329633,
"volume_molar": 6.562096718743143,
"formula_full": "Li4 V3 Fe3 Sn2 O16",
"formula_reduced": "Li4V3Fe3(SnO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -208.77642241,
"energy_per_atom": -7.456300800357143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -185.91642241,
"band_gap": 0.5591999999999997,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 19.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:32.376000Z",
"spacegroup": 1
},
{
"id": "mp-770152",
"created_at": "2022-09-04T14:43:57.192097Z",
"structure_string": "Li4 Ti2 Mn3 Cr3 O16\n1.0\n-5.869718 0.000000 0.000000\n2.888640 5.131901 0.000000\n-0.016876 -0.174362 -9.477920\nLi Ti Mn Cr O\n4 2 3 3 16\ndirect\n0.333617 0.678707 0.101720 Li\n0.999206 0.997551 0.005444 Li\n0.003535 0.993353 0.505104 Li\n0.663349 0.337601 0.604551 Li\n0.334787 0.660388 0.506388 Ti\n0.666126 0.335854 0.004488 Ti\n0.168400 0.827405 0.783988 Mn\n0.830245 0.656864 0.283785 Mn\n0.338892 0.171159 0.285776 Mn\n0.660117 0.830389 0.785715 Cr\n0.169538 0.339720 0.785991 Cr\n0.828491 0.166993 0.285233 Cr\n0.667590 0.830278 0.402713 O\n0.476229 0.518795 0.658090 O\n0.329412 0.674864 0.892505 O\n0.002349 0.993614 0.691720 O\n0.002316 0.987841 0.193439 O\n0.167148 0.326696 0.406531 O\n0.471241 0.959509 0.661115 O\n0.036876 0.523108 0.662965 O\n0.835849 0.171376 0.908329 O\n0.147727 0.801090 0.408271 O\n0.962326 0.482441 0.163661 O\n0.517820 0.046761 0.157804 O\n0.664725 0.343474 0.390657 O\n0.842493 0.668290 0.900652 O\n0.545808 0.512063 0.151265 O\n0.334089 0.164118 0.904258 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Ti",
"Mn",
"Cr",
"O"
],
"chemical_system": "Cr-Li-Mn-O-Ti",
"density": 4.0730429975682485,
"density_atomic": 0.0980730058131084,
"volume": 285.50159922046083,
"volume_molar": 6.14046720610972,
"formula_full": "Li4 Ti2 Mn3 Cr3 O16",
"formula_reduced": "Li4Ti2Mn3Cr3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -228.76383965,
"energy_per_atom": -8.170137130357142,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -206.77083965,
"band_gap": 0.6166999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 19.0012211,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:38.071000Z",
"spacegroup": 1
},
{
"id": "mp-1663956",
"created_at": "2022-09-04T14:43:52.274095Z",
"structure_string": "Li8 Ti4 Co6 Sn6 O32\n1.0\n6.025649 -0.018595 0.040896\n-2.931012 -5.204274 9.598201\n0.032472 -10.643158 -0.116666\nLi Ti Co Sn O\n8 4 6 6 32\ndirect\n0.960566 0.890873 0.715715 Li\n0.461586 0.891758 0.214622 Li\n0.467726 0.989089 0.509795 Li\n0.964334 0.988807 0.011459 Li\n0.232212 0.498102 0.758316 Li\n0.732809 0.498552 0.256362 Li\n0.200864 0.402066 0.132912 Li\n0.700046 0.401841 0.633742 Li\n0.764910 0.493852 0.913763 Ti\n0.260441 0.494285 0.414722 Ti\n0.513411 0.989468 0.824997 Ti\n0.023181 0.987880 0.324960 Ti\n0.851425 0.212989 0.978303 Co\n0.369877 0.718197 0.813238 Co\n0.603846 0.712555 0.054298 Co\n0.352968 0.216931 0.477788 Co\n0.859214 0.716389 0.313022 Co\n0.106701 0.714213 0.552452 Co\n0.112659 0.713989 0.058677 Sn\n0.613537 0.712224 0.560533 Sn\n0.363681 0.214838 0.976578 Sn\n0.864148 0.213213 0.476607 Sn\n0.612126 0.215025 0.221378 Sn\n0.105241 0.213942 0.723255 Sn\n0.439682 0.341634 0.072937 O\n0.936788 0.341027 0.572580 O\n0.561334 0.100190 0.111772 O\n0.053942 0.097426 0.615852 O\n0.142601 0.310412 0.848798 O\n0.652319 0.311947 0.345677 O\n0.383634 0.802327 0.600184 O\n0.880189 0.802034 0.100354 O\n0.791811 0.088555 0.373024 O\n0.292260 0.090097 0.872521 O\n0.042914 0.594660 0.802731 O\n0.537617 0.591902 0.302369 O\n0.321702 0.607610 0.027685 O\n0.825391 0.607876 0.527307 O\n0.639659 0.847653 0.824243 O\n0.147212 0.850180 0.325748 O\n0.547589 0.595371 0.787229 O\n0.043646 0.598057 0.287717 O\n0.785256 0.597865 0.039033 O\n0.285409 0.597576 0.539437 O\n0.671417 0.353311 0.845320 O\n0.171342 0.354585 0.345308 O\n0.892464 0.354409 0.067459 O\n0.388707 0.354127 0.569936 O\n0.206829 0.847288 0.839283 O\n0.709022 0.842476 0.337895 O\n0.439371 0.836492 0.058856 O\n0.939138 0.837274 0.557495 O\n0.049520 0.090691 0.123056 O\n0.549701 0.090810 0.624299 O\n0.292917 0.090599 0.362910 O\n0.788649 0.088137 0.865359 O\n",
"nsites": 56,
"nelements": 5,
"elements": [
"Li",
"Ti",
"Co",
"Sn",
"O"
],
"chemical_system": "Co-Li-O-Sn-Ti",
"density": 4.88355475792009,
"density_atomic": 0.09025082038499298,
"volume": 620.4929745914171,
"volume_molar": 6.672671488536817,
"formula_full": "Li8 Ti4 Co6 Sn6 O32",
"formula_reduced": "Li4Ti2Co3Sn3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -395.30162154,
"energy_per_atom": -7.0589575275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -363.48962154,
"band_gap": 0.5872000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:22.662000Z",
"spacegroup": 1
},
{
"id": "mp-778817",
"created_at": "2022-09-04T14:43:53.698580Z",
"structure_string": "Li4 Mn3 Nb3 Te2 O16\n1.0\n3.064426 5.553032 0.000000\n-3.064426 5.553032 0.000000\n0.000000 0.085443 10.546767\nLi Mn Nb Te O\n4 3 3 2 16\ndirect\n0.670156 0.670156 0.097055 Li\n0.999995 0.999995 0.005853 Li\n0.996445 0.996445 0.515270 Li\n0.339303 0.339303 0.595189 Li\n0.338342 0.829879 0.786332 Mn\n0.829879 0.338342 0.786332 Mn\n0.163167 0.163167 0.290111 Mn\n0.819423 0.819423 0.765151 Nb\n0.165917 0.646856 0.279111 Nb\n0.646856 0.165917 0.279111 Nb\n0.640880 0.640880 0.502088 Te\n0.328827 0.328827 0.983739 Te\n0.321493 0.815616 0.410080 O\n0.522319 0.522319 0.639965 O\n0.685597 0.685597 0.893145 O\n0.987535 0.987535 0.698886 O\n0.998477 0.998477 0.188150 O\n0.815616 0.321493 0.410080 O\n0.524411 0.985353 0.666770 O\n0.985353 0.524411 0.666770 O\n0.168432 0.168432 0.906492 O\n0.863057 0.863057 0.393759 O\n0.016225 0.515167 0.180437 O\n0.515167 0.016225 0.180437 O\n0.340372 0.340372 0.400595 O\n0.164177 0.657371 0.897465 O\n0.496376 0.496376 0.176366 O\n0.657371 0.164177 0.897465 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Nb",
"Te",
"O"
],
"chemical_system": "Li-Mn-Nb-O-Te",
"density": 4.545142947057599,
"density_atomic": 0.07800624441491447,
"volume": 358.9456230076693,
"volume_molar": 7.7200752390645695,
"formula_full": "Li4 Mn3 Nb3 Te2 O16",
"formula_reduced": "Li4Mn3Nb3(TeO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -216.27183855,
"energy_per_atom": -7.723994233928572,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -200.27583855,
"band_gap": 0.4561000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.999505,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:30.881000Z",
"spacegroup": 8
},
{
"id": "mp-779751",
"created_at": "2022-09-04T14:44:49.910214Z",
"structure_string": "Li4 Ti3 Co3 W2 O16\n1.0\n5.976111 -0.007169 -0.043362\n-2.994223 5.189506 0.000611\n-0.069418 -0.038795 9.827261\nLi Ti Co W O\n4 3 3 2 16\ndirect\n0.328645 0.664169 0.904891 Li\n0.988135 0.994011 0.983356 Li\n0.008343 0.004733 0.491603 Li\n0.667970 0.333477 0.407285 Li\n0.180644 0.840301 0.215642 Ti\n0.182903 0.341247 0.216282 Ti\n0.359366 0.178676 0.732566 Ti\n0.642619 0.820883 0.210938 Co\n0.832980 0.655754 0.711621 Co\n0.833632 0.178144 0.711603 Co\n0.340608 0.670651 0.490333 W\n0.689876 0.344444 0.989582 W\n0.182209 0.828346 0.586215 O\n0.043706 0.521947 0.340047 O\n0.295120 0.647383 0.105751 O\n0.007177 0.004073 0.302396 O\n0.014234 0.007155 0.793351 O\n0.181875 0.354499 0.586038 O\n0.466869 0.959614 0.350017 O\n0.467548 0.507366 0.350148 O\n0.339974 0.170191 0.106742 O\n0.661824 0.830841 0.579546 O\n0.503008 0.467045 0.852461 O\n0.503631 0.034602 0.851673 O\n0.637920 0.319205 0.608266 O\n0.836821 0.668783 0.089738 O\n0.966632 0.483830 0.850442 O\n0.835731 0.168928 0.089309 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Ti",
"Co",
"W",
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],
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}