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{
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{
"id": "mp-770625",
"created_at": "2022-09-04T14:47:20.434979Z",
"structure_string": "Li8 Al6 Cr6 Sb4 O32\n1.0\n5.865794 0.009570 0.024331\n-2.903042 -5.052792 9.555588\n-0.016577 -10.140296 -0.024458\nLi Al Cr Sb O\n8 6 6 4 32\ndirect\n0.954981 0.904811 0.713412 Li\n0.454979 0.904803 0.213418 Li\n0.489687 0.985917 0.508130 Li\n0.989682 0.985912 0.008125 Li\n0.241886 0.489566 0.756154 Li\n0.741887 0.489571 0.256155 Li\n0.205246 0.407528 0.129077 Li\n0.705241 0.407520 0.629080 Li\n0.851952 0.214762 0.977747 Al\n0.351937 0.214762 0.477751 Al\n0.358632 0.714413 0.812739 Al\n0.858630 0.714408 0.312743 Al\n0.603007 0.714430 0.057061 Al\n0.102999 0.714428 0.557059 Al\n0.112963 0.713649 0.057798 Cr\n0.361815 0.213663 0.977291 Cr\n0.608137 0.213645 0.223622 Cr\n0.612912 0.713641 0.557808 Cr\n0.861787 0.213649 0.477282 Cr\n0.108157 0.213639 0.723630 Cr\n0.745556 0.488491 0.921974 Sb\n0.245577 0.488487 0.421968 Sb\n0.495847 0.985650 0.839519 Sb\n0.995853 0.985652 0.339517 Sb\n0.449069 0.344253 0.068904 O\n0.949073 0.344260 0.568900 O\n0.570623 0.110929 0.106154 O\n0.070612 0.110945 0.606149 O\n0.135220 0.303585 0.853743 O\n0.635213 0.303590 0.353727 O\n0.385744 0.797927 0.605428 O\n0.885748 0.797924 0.105428 O\n0.790132 0.090939 0.372958 O\n0.290142 0.090940 0.872957 O\n0.051185 0.601391 0.782459 O\n0.551190 0.601391 0.282461 O\n0.321516 0.614032 0.021466 O\n0.821513 0.614026 0.521473 O\n0.645994 0.840170 0.837945 O\n0.145989 0.840163 0.337954 O\n0.540699 0.598294 0.786204 O\n0.040701 0.598294 0.286203 O\n0.791875 0.598310 0.037352 O\n0.291869 0.598309 0.537355 O\n0.674641 0.342354 0.845705 O\n0.174645 0.342361 0.345702 O\n0.897578 0.342347 0.068636 O\n0.397586 0.342353 0.568635 O\n0.201683 0.840405 0.835486 O\n0.701676 0.840397 0.335492 O\n0.427415 0.840424 0.061187 O\n0.927410 0.840421 0.561193 O\n0.042499 0.097978 0.116040 O\n0.542505 0.097989 0.616034 O\n0.298218 0.097989 0.371740 O\n0.798226 0.097997 0.871735 O\n",
"nsites": 56,
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"elements": [
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"Cr",
"Sb",
"O"
],
"chemical_system": "Al-Cr-Li-O-Sb",
"density": 4.454088758894499,
"density_atomic": 0.0982780679682476,
"volume": 569.8117714126502,
"volume_molar": 6.127654810985577,
"formula_full": "Li8 Al6 Cr6 Sb4 O32",
"formula_reduced": "Li4Al3Cr3(SbO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -415.95220952,
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"energy_uncorrected": -381.97420952,
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"is_magnetic": true,
"total_magnetization": 9.7e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:07.704000Z",
"spacegroup": 8
},
{
"id": "mp-1177221",
"created_at": "2022-09-04T14:47:35.781915Z",
"structure_string": "Li4 V3 Fe3 W2 O16\n1.0\n6.001990 0.000000 0.000000\n-2.990109 5.257439 0.000000\n-0.024935 -0.026903 9.788849\nLi V Fe W O\n4 3 3 2 16\ndirect\n0.332209 0.663328 0.901944 Li\n0.005529 0.001671 0.990589 Li\n0.997582 0.000743 0.488458 Li\n0.665305 0.327804 0.405293 Li\n0.183397 0.348614 0.217941 V\n0.827781 0.169730 0.714564 V\n0.340124 0.166849 0.714232 V\n0.666127 0.835574 0.209822 Fe\n0.169468 0.837192 0.208934 Fe\n0.826947 0.654527 0.716645 Fe\n0.330872 0.666817 0.486170 W\n0.674585 0.342175 0.988940 W\n0.651478 0.815917 0.591933 O\n0.478627 0.952263 0.365142 O\n0.317461 0.638099 0.112733 O\n0.013035 0.031216 0.301706 O\n0.996793 0.995291 0.800084 O\n0.163219 0.817845 0.590547 O\n0.465415 0.501941 0.354787 O\n0.040420 0.505323 0.355153 O\n0.832007 0.672243 0.083687 O\n0.171224 0.339998 0.593748 O\n0.965171 0.482223 0.839979 O\n0.521673 0.478169 0.844691 O\n0.665887 0.333969 0.608398 O\n0.842953 0.191930 0.087871 O\n0.515733 0.037789 0.841246 O\n0.339275 0.190756 0.092600 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"V",
"Fe",
"W",
"O"
],
"chemical_system": "Fe-Li-O-V-W",
"density": 5.224228052904781,
"density_atomic": 0.0906477214786547,
"volume": 308.88807289649645,
"volume_molar": 6.643455193099438,
"formula_full": "Li4 V3 Fe3 W2 O16",
"formula_reduced": "Li4V3Fe3(WO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -226.59974529,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:13.163000Z",
"spacegroup": 1
},
{
"id": "mp-776772",
"created_at": "2022-09-04T14:47:34.151518Z",
"structure_string": "Li4 Ti2 Cr3 Sn3 O16\n1.0\n3.061264 5.285143 0.000000\n-3.061264 5.285143 0.000000\n0.000000 0.119004 9.654499\nLi Ti Cr Sn O\n4 2 3 3 16\ndirect\n0.671106 0.671106 0.889392 Li\n0.988695 0.988695 0.990995 Li\n0.992169 0.992169 0.500609 Li\n0.334548 0.334548 0.398871 Li\n0.675473 0.675473 0.499935 Ti\n0.343150 0.343150 0.983261 Ti\n0.829163 0.829163 0.214287 Cr\n0.659706 0.172405 0.713873 Cr\n0.172405 0.659706 0.713873 Cr\n0.830237 0.338322 0.214370 Sn\n0.338322 0.830237 0.214370 Sn\n0.170532 0.170532 0.713948 Sn\n0.830773 0.334157 0.593686 O\n0.517110 0.517110 0.345782 O\n0.670711 0.670711 0.098088 O\n0.993990 0.993990 0.315178 O\n0.995898 0.995898 0.806894 O\n0.334157 0.830773 0.593686 O\n0.957704 0.525811 0.343921 O\n0.525811 0.957704 0.343921 O\n0.162639 0.162639 0.092649 O\n0.829689 0.829689 0.599803 O\n0.485675 0.043179 0.844638 O\n0.043179 0.485675 0.844638 O\n0.338735 0.338735 0.604257 O\n0.666967 0.164850 0.096489 O\n0.479834 0.479834 0.839354 O\n0.164850 0.666967 0.096489 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
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"Ti",
"Cr",
"Sn",
"O"
],
"chemical_system": "Cr-Li-O-Sn-Ti",
"density": 4.7392013052853486,
"density_atomic": 0.08962739356797958,
"volume": 312.4044880180843,
"volume_molar": 6.719085003216561,
"formula_full": "Li4 Ti2 Cr3 Sn3 O16",
"formula_reduced": "Li4Ti2Cr3Sn3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -212.60621415,
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"energy_uncorrected": -195.61721415,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:11.205000Z",
"spacegroup": 8
},
{
"id": "mp-779200",
"created_at": "2022-09-04T14:47:34.909861Z",
"structure_string": "Li4 Nb2 Cr3 Ni3 O16\n1.0\n5.927352 0.000000 0.000000\n-2.946905 5.151080 0.000000\n-0.017437 -0.061539 9.658316\nLi Nb Cr Ni O\n4 2 3 3 16\ndirect\n0.322041 0.661580 0.899038 Li\n0.007026 0.001964 0.989765 Li\n0.002938 0.998983 0.494676 Li\n0.667478 0.338034 0.399555 Li\n0.335331 0.660600 0.499754 Nb\n0.683259 0.343244 0.995192 Nb\n0.186595 0.840159 0.221222 Cr\n0.175052 0.342302 0.215984 Cr\n0.348424 0.170748 0.725988 Cr\n0.661833 0.829670 0.211788 Ni\n0.827039 0.658382 0.711865 Ni\n0.826348 0.167717 0.712026 Ni\n0.177319 0.839586 0.592592 O\n0.039280 0.523837 0.339489 O\n0.309709 0.662756 0.107337 O\n0.015002 0.001074 0.304357 O\n0.015375 0.007076 0.798620 O\n0.174129 0.333571 0.593677 O\n0.472669 0.965940 0.338742 O\n0.475414 0.516821 0.340303 O\n0.337183 0.167219 0.098487 O\n0.671043 0.836321 0.588246 O\n0.498964 0.465225 0.846296 O\n0.498802 0.032466 0.844795 O\n0.635037 0.318584 0.608466 O\n0.843427 0.672809 0.093121 O\n0.953471 0.476409 0.844340 O\n0.839810 0.167219 0.092121 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
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"Cr",
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"O"
],
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"density": 4.514043099563584,
"density_atomic": 0.09495057675538543,
"volume": 294.89025719279675,
"volume_molar": 6.342395134170087,
"formula_full": "Li4 Nb2 Cr3 Ni3 O16",
"formula_reduced": "Li4Nb2Cr3Ni3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -214.91856289,
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"updated_at": "2021-11-28T01:38:10.758000Z",
"spacegroup": 1
},
{
"id": "mp-1177227",
"created_at": "2022-09-04T14:47:29.142325Z",
"structure_string": "Li4 V3 Cr3 Fe2 O16\n1.0\n-5.878598 0.000000 0.000000\n2.922235 5.140284 0.000000\n-0.032442 -0.091373 -9.590559\nLi V Cr Fe O\n4 3 3 2 16\ndirect\n0.327864 0.666652 0.109216 Li\n0.001735 0.001958 0.002817 Li\n0.999754 0.997735 0.504277 Li\n0.661429 0.337912 0.607453 Li\n0.822754 0.658390 0.284421 V\n0.173469 0.829360 0.784810 V\n0.339322 0.162481 0.286303 V\n0.661594 0.831814 0.786076 Cr\n0.168706 0.338759 0.786173 Cr\n0.831718 0.169992 0.286394 Cr\n0.339873 0.661544 0.508590 Fe\n0.680012 0.334524 0.007861 Fe\n0.674440 0.835676 0.400359 O\n0.477240 0.521869 0.659863 O\n0.323522 0.678159 0.896160 O\n0.005800 0.993562 0.691267 O\n0.000427 0.994197 0.189109 O\n0.175274 0.320489 0.397052 O\n0.465874 0.963970 0.664633 O\n0.036279 0.533796 0.664747 O\n0.838536 0.162126 0.902563 O\n0.156253 0.827274 0.394135 O\n0.960190 0.479458 0.161542 O\n0.505525 0.040570 0.164117 O\n0.666928 0.338959 0.397148 O\n0.850291 0.675260 0.894919 O\n0.527824 0.492542 0.164836 O\n0.327663 0.151273 0.895317 O\n",
"nsites": 28,
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"elements": [
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],
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"density": 4.035297838963243,
"density_atomic": 0.0966169298501223,
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"volume_molar": 6.233007785842387,
"formula_full": "Li4 V3 Cr3 Fe2 O16",
"formula_reduced": "Li4V3Cr3(FeO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -223.48178219,
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"spacegroup": 1
},
{
"id": "mp-772532",
"created_at": "2022-09-04T14:47:36.393811Z",
"structure_string": "Li4 V3 Cr3 Fe2 O16\n1.0\n5.865792 -0.037059 0.035237\n-2.964816 5.137127 0.000122\n0.057594 0.032374 9.585065\nLi V Cr Fe O\n4 3 3 2 16\ndirect\n0.334877 0.666922 0.890781 Li\n0.003415 0.003172 0.996237 Li\n0.993935 0.995827 0.496171 Li\n0.674419 0.337673 0.393638 Li\n0.829502 0.657883 0.715130 V\n0.659240 0.830728 0.215969 V\n0.825914 0.165630 0.713374 V\n0.171982 0.832780 0.215227 Cr\n0.172231 0.340475 0.215399 Cr\n0.339522 0.170284 0.710326 Cr\n0.325349 0.662810 0.490299 Fe\n0.658547 0.330560 0.991237 Fe\n0.151215 0.830573 0.600117 O\n0.042993 0.522010 0.339401 O\n0.354999 0.678048 0.104877 O\n0.988880 0.995109 0.310934 O\n0.995122 0.996151 0.810919 O\n0.149149 0.319890 0.601243 O\n0.496797 0.964232 0.336701 O\n0.496753 0.533548 0.336774 O\n0.325497 0.163235 0.098574 O\n0.667346 0.832492 0.604071 O\n0.526275 0.486685 0.834984 O\n0.526891 0.038052 0.834128 O\n0.676593 0.337785 0.600398 O\n0.824772 0.675708 0.105972 O\n0.963261 0.481524 0.838806 O\n0.824525 0.150515 0.106157 O\n",
"nsites": 28,
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"elements": [
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],
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"density": 4.063924921605369,
"density_atomic": 0.09730234662623778,
"volume": 287.76284407152974,
"volume_molar": 6.189101258916728,
"formula_full": "Li4 V3 Cr3 Fe2 O16",
"formula_reduced": "Li4V3Cr3(FeO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -223.4833336,
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"updated_at": "2021-11-28T01:38:18.651000Z",
"spacegroup": 8
},
{
"id": "mp-770744",
"created_at": "2022-09-04T14:39:20.478833Z",
"structure_string": "Li4 Nb2 Fe3 Sn3 O16\n1.0\n3.096770 5.402019 0.000000\n-3.096770 5.402019 0.000000\n0.000000 0.018681 9.971525\nLi Nb Fe Sn O\n4 2 3 3 16\ndirect\n0.672337 0.672337 0.098120 Li\n0.993294 0.993294 0.015092 Li\n0.995126 0.995126 0.503154 Li\n0.329518 0.329518 0.594896 Li\n0.675902 0.675902 0.503040 Nb\n0.351853 0.351853 0.022694 Nb\n0.828434 0.828434 0.787925 Fe\n0.172433 0.660401 0.286506 Fe\n0.660401 0.172433 0.286506 Fe\n0.337137 0.831634 0.785013 Sn\n0.831634 0.337137 0.785013 Sn\n0.171253 0.171253 0.285090 Sn\n0.342963 0.839328 0.412559 O\n0.513103 0.513103 0.660855 O\n0.663068 0.663068 0.897513 O\n0.996638 0.996638 0.688405 O\n0.000387 0.000387 0.200426 O\n0.839328 0.342963 0.412559 O\n0.511011 0.955211 0.651978 O\n0.955211 0.511011 0.651978 O\n0.158143 0.158143 0.902588 O\n0.828724 0.828724 0.416502 O\n0.040713 0.470549 0.146203 O\n0.470549 0.040713 0.146203 O\n0.333659 0.333659 0.390089 O\n0.173967 0.660410 0.909308 O\n0.487286 0.487286 0.141623 O\n0.660410 0.173967 0.909308 O\n",
"nsites": 28,
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"elements": [
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],
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"density": 4.9435989817220705,
"density_atomic": 0.08392694113911033,
"volume": 333.623501821537,
"volume_molar": 7.175456031476473,
"formula_full": "Li4 Nb2 Fe3 Sn3 O16",
"formula_reduced": "Li4Nb2Fe3Sn3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -207.99968464,
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"updated_at": "2021-11-28T01:34:36.410000Z",
"spacegroup": 8
},
{
"id": "mp-762474",
"created_at": "2022-09-04T14:39:17.431603Z",
"structure_string": "Li4 Ti2 Nb3 Fe3 O16\n1.0\n6.140034 0.039879 0.074994\n-3.035296 5.261585 -0.014853\n0.121117 0.042563 9.827494\nLi Ti Nb Fe O\n4 2 3 3 16\ndirect\n0.332269 0.663981 0.903111 Li\n0.006512 0.003021 0.996292 Li\n0.020632 0.009545 0.484515 Li\n0.673275 0.337658 0.393327 Li\n0.288386 0.640152 0.484191 Ti\n0.661701 0.328754 0.008714 Ti\n0.638861 0.821361 0.228143 Nb\n0.818602 0.651396 0.718990 Nb\n0.813555 0.169034 0.716639 Nb\n0.172250 0.831503 0.208532 Fe\n0.173247 0.340982 0.208497 Fe\n0.338994 0.163393 0.707737 Fe\n0.161454 0.823090 0.593811 O\n0.051737 0.526406 0.351652 O\n0.362716 0.680435 0.098588 O\n0.980045 0.990458 0.298968 O\n0.992627 0.998836 0.808961 O\n0.156790 0.338738 0.592196 O\n0.494038 0.966364 0.353050 O\n0.493958 0.530996 0.354256 O\n0.343471 0.171664 0.088825 O\n0.677734 0.840110 0.603025 O\n0.529463 0.483890 0.839336 O\n0.536375 0.043066 0.845944 O\n0.684181 0.345404 0.590208 O\n0.810834 0.648693 0.092882 O\n0.974621 0.489221 0.842907 O\n0.811672 0.162150 0.094543 O\n",
"nsites": 28,
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"elements": [
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"Ti",
"Nb",
"Fe",
"O"
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{
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{
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"formula_full": "Li4 Ti2 Mn3 V3 O16",
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{
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"structure_string": "Li4 Mn3 Cr3 W2 O16\n1.0\n3.015606 5.223027 0.000000\n-3.015606 5.223027 0.000000\n0.000000 0.269215 9.778499\nLi Mn Cr W O\n4 3 3 2 16\ndirect\n0.336249 0.336249 0.909496 Li\n0.996834 0.996834 0.987289 Li\n0.996552 0.996552 0.488337 Li\n0.671029 0.671029 0.405462 Li\n0.168602 0.168602 0.211767 Mn\n0.337981 0.827220 0.712609 Mn\n0.827220 0.337981 0.712609 Mn\n0.168014 0.660523 0.213514 Cr\n0.660523 0.168014 0.213514 Cr\n0.828669 0.828669 0.715092 Cr\n0.332178 0.332178 0.485726 W\n0.667268 0.667268 0.986076 W\n0.163767 0.648592 0.586893 O\n0.479323 0.479323 0.340209 O\n0.334239 0.334239 0.112320 O\n0.998913 0.998913 0.302795 O\n0.996272 0.996272 0.801496 O\n0.648592 0.163767 0.586893 O\n0.043683 0.489031 0.348713 O\n0.489031 0.043683 0.348713 O\n0.829149 0.829149 0.099329 O\n0.170825 0.170825 0.575068 O\n0.534921 0.962553 0.854870 O\n0.962553 0.534921 0.854870 O\n0.670741 0.670741 0.609998 O\n0.343129 0.826498 0.089429 O\n0.523682 0.523682 0.864690 O\n0.826498 0.343129 0.089429 O\n",
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],
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{
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}