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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_anonymous&page=11472",
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"results": [
{
"id": "mp-762830",
"created_at": "2022-09-04T14:46:38.098779Z",
"structure_string": "Li4 Mn2 Nb3 V3 O16\n1.0\n3.054240 5.286841 0.000000\n-3.054240 5.286841 0.000000\n0.000000 0.012236 10.070967\nLi Mn Nb V O\n4 2 3 3 16\ndirect\n0.334304 0.334304 0.098650 Li\n0.995493 0.995493 0.996492 Li\n0.991091 0.991091 0.508480 Li\n0.665324 0.665324 0.616167 Li\n0.341473 0.341473 0.514069 Mn\n0.673063 0.673063 0.987787 Mn\n0.170507 0.170507 0.782058 Nb\n0.834768 0.339477 0.284357 Nb\n0.339477 0.834768 0.284357 Nb\n0.659187 0.174257 0.787466 V\n0.174257 0.659187 0.787466 V\n0.832040 0.832040 0.286188 V\n0.690676 0.157188 0.391352 O\n0.482355 0.482355 0.672742 O\n0.324360 0.324360 0.901102 O\n0.003656 0.003656 0.686326 O\n0.002862 0.002862 0.180643 O\n0.157188 0.690676 0.391352 O\n0.481591 0.029715 0.669375 O\n0.029715 0.481591 0.669375 O\n0.846623 0.846623 0.887423 O\n0.156586 0.156586 0.398259 O\n0.969989 0.510262 0.173277 O\n0.510262 0.969989 0.173277 O\n0.661495 0.661495 0.399381 O\n0.843934 0.312741 0.896058 O\n0.514601 0.514601 0.172629 O\n0.312741 0.843934 0.896058 O\n",
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"elements": [
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"O"
],
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"density": 4.213025840977218,
"density_atomic": 0.08609094060694805,
"volume": 325.23747333456635,
"volume_molar": 6.995092303026804,
"formula_full": "Li4 Mn2 Nb3 V3 O16",
"formula_reduced": "Li4Mn2Nb3V3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -235.38978243,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:37:45.474000Z",
"spacegroup": 8
},
{
"id": "mp-1177325",
"created_at": "2022-09-04T14:46:52.809886Z",
"structure_string": "Li4 Nb2 V3 Co3 O16\n1.0\n-5.975266 0.000000 0.000000\n2.972892 5.200511 0.000000\n-0.019034 -0.054944 -9.782990\nLi Nb V Co O\n4 2 3 3 16\ndirect\n0.331541 0.658043 0.100092 Li\n0.004695 0.012610 0.006418 Li\n0.002982 0.012281 0.509792 Li\n0.655322 0.308693 0.600405 Li\n0.343300 0.688567 0.499912 Nb\n0.668307 0.343115 0.000224 Nb\n0.178041 0.359542 0.766575 V\n0.347532 0.181225 0.283226 V\n0.829257 0.182291 0.275091 V\n0.172976 0.833221 0.791296 Co\n0.660713 0.834650 0.791355 Co\n0.829146 0.659612 0.285486 Co\n0.170651 0.841839 0.408859 O\n0.469612 0.940863 0.653923 O\n0.311675 0.622445 0.893182 O\n0.012968 0.025911 0.701255 O\n0.997568 0.017349 0.197846 O\n0.666153 0.836213 0.409217 O\n0.026025 0.488591 0.659372 O\n0.460256 0.487171 0.658739 O\n0.836622 0.672161 0.914473 O\n0.167560 0.343375 0.407219 O\n0.512034 0.470708 0.157310 O\n0.963386 0.471776 0.157702 O\n0.670765 0.308820 0.395317 O\n0.339145 0.179979 0.906485 O\n0.528617 0.035811 0.155773 O\n0.842851 0.183141 0.905615 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Nb",
"V",
"Co",
"O"
],
"chemical_system": "Co-Li-Nb-O-V",
"density": 4.365409032354009,
"density_atomic": 0.09210498983295211,
"volume": 304.00090213117346,
"volume_molar": 6.538343656431823,
"formula_full": "Li4 Nb2 V3 Co3 O16",
"formula_reduced": "Li4Nb2V3Co3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -220.91284495,
"energy_per_atom": -7.8897444624999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -199.90684495,
"band_gap": 1.1374,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 10.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:42.980000Z",
"spacegroup": 1
},
{
"id": "mp-776061",
"created_at": "2022-09-04T14:46:39.145682Z",
"structure_string": "Li4 Ti3 Mn3 Nb2 O16\n1.0\n3.026402 5.343176 0.000000\n-3.026402 5.343176 0.000000\n0.000000 0.188393 9.925093\nLi Ti Mn Nb O\n4 3 3 2 16\ndirect\n0.661459 0.661459 0.093946 Li\n0.002540 0.002540 0.013570 Li\n0.007427 0.007427 0.507326 Li\n0.327260 0.327260 0.592419 Li\n0.178013 0.178013 0.264252 Ti\n0.345005 0.843004 0.780310 Ti\n0.843004 0.345005 0.780310 Ti\n0.833062 0.833062 0.789729 Mn\n0.168329 0.662475 0.294377 Mn\n0.662475 0.168329 0.294377 Mn\n0.665669 0.665669 0.502525 Nb\n0.350136 0.350136 0.011099 Nb\n0.346510 0.835943 0.411753 O\n0.520226 0.520226 0.666544 O\n0.649991 0.649991 0.890999 O\n0.010423 0.010423 0.694875 O\n0.011729 0.011729 0.200505 O\n0.835943 0.346510 0.411753 O\n0.498034 0.960195 0.661611 O\n0.960195 0.498034 0.661611 O\n0.163100 0.163100 0.894106 O\n0.831648 0.831648 0.428388 O\n0.032321 0.463936 0.148103 O\n0.463936 0.032321 0.148103 O\n0.312274 0.312274 0.391038 O\n0.176328 0.665678 0.908114 O\n0.477152 0.477152 0.142368 O\n0.665678 0.176328 0.908114 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Ti",
"Mn",
"Nb",
"O"
],
"chemical_system": "Li-Mn-Nb-O-Ti",
"density": 4.0246501592440795,
"density_atomic": 0.08723029792841255,
"volume": 320.98938860645427,
"volume_molar": 6.903726002337171,
"formula_full": "Li4 Ti3 Mn3 Nb2 O16",
"formula_reduced": "Li4Ti3Mn3Nb2O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -237.57208495000003,
"energy_per_atom": -8.484717319642858,
"energy_above_hull": null,
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"energy_uncorrected": -221.57608495,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:37.172000Z",
"spacegroup": 8
},
{
"id": "mp-777461",
"created_at": "2022-09-04T14:46:37.837720Z",
"structure_string": "Li4 V3 Cr2 Sn3 O16\n1.0\n6.097504 0.000000 0.000000\n3.039142 5.313942 0.000000\n0.051745 0.043207 9.675916\nLi V Cr Sn O\n4 3 2 3 16\ndirect\n0.671072 0.653456 0.110020 Li\n0.988680 0.022401 0.008165 Li\n0.994745 0.014545 0.500021 Li\n0.333314 0.331954 0.604603 Li\n0.831331 0.337167 0.786930 V\n0.661730 0.170203 0.290429 V\n0.178933 0.162723 0.286198 V\n0.672626 0.661558 0.512940 Cr\n0.334437 0.328087 0.016942 Cr\n0.339124 0.828974 0.786630 Sn\n0.831754 0.829184 0.786844 Sn\n0.168483 0.660522 0.286054 Sn\n0.330615 0.844499 0.398642 O\n0.521357 0.959032 0.650952 O\n0.665646 0.667065 0.903666 O\n0.000582 0.000019 0.683434 O\n0.006636 0.006432 0.190835 O\n0.828546 0.844171 0.399486 O\n0.525114 0.514428 0.656339 O\n0.960913 0.515443 0.656951 O\n0.161769 0.675164 0.908433 O\n0.848401 0.325952 0.391151 O\n0.043176 0.467528 0.156993 O\n0.486251 0.467600 0.157041 O\n0.321064 0.330441 0.399991 O\n0.159160 0.169844 0.898030 O\n0.463340 0.043159 0.165112 O\n0.670904 0.168449 0.899327 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"V",
"Cr",
"Sn",
"O"
],
"chemical_system": "Cr-Li-O-Sn-V",
"density": 4.749367835760779,
"density_atomic": 0.08930937252779725,
"volume": 313.51692669529274,
"volume_molar": 6.743010940005909,
"formula_full": "Li4 V3 Cr2 Sn3 O16",
"formula_reduced": "Li4V3Cr2Sn3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -210.03817082,
"energy_per_atom": -7.501363243571428,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -189.94817082,
"band_gap": 1.3282000000000005,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:40.774000Z",
"spacegroup": 1
},
{
"id": "mp-775999",
"created_at": "2022-09-04T14:46:38.475474Z",
"structure_string": "Li8 Ti6 Nb4 Fe6 O32\n1.0\n-2.996355 5.189511 -0.000684\n-0.151161 -0.089818 19.802223\n6.093578 0.058252 -0.047027\nLi Ti Nb Fe O\n8 6 4 6 32\ndirect\n0.663212 0.452457 0.326277 Li\n0.663217 0.952461 0.326249 Li\n0.001839 0.493083 0.004085 Li\n0.001881 0.993083 0.004107 Li\n0.003381 0.246582 0.006667 Li\n0.003390 0.746582 0.006678 Li\n0.331428 0.204047 0.663080 Li\n0.331471 0.704051 0.663088 Li\n0.177386 0.367220 0.354465 Ti\n0.177459 0.867220 0.354476 Ti\n0.844314 0.110061 0.189766 Ti\n0.844338 0.610054 0.189904 Ti\n0.345736 0.109797 0.190929 Ti\n0.345605 0.609813 0.190766 Ti\n0.666012 0.249468 0.332191 Nb\n0.666078 0.749469 0.332221 Nb\n0.351524 0.493751 0.703356 Nb\n0.351413 0.993744 0.703313 Nb\n0.830051 0.605014 0.660305 Fe\n0.662719 0.853831 0.830604 Fe\n0.167844 0.853857 0.830537 Fe\n0.829843 0.105008 0.660347 Fe\n0.662735 0.353832 0.830593 Fe\n0.167804 0.353861 0.830519 Fe\n0.520795 0.166929 0.041043 O\n0.520753 0.666932 0.041046 O\n0.648610 0.053773 0.296762 O\n0.648520 0.553775 0.296732 O\n0.009067 0.152316 0.017970 O\n0.009081 0.652319 0.017967 O\n0.007734 0.399101 0.015406 O\n0.007740 0.899103 0.015427 O\n0.162867 0.052356 0.325239 O\n0.162783 0.552357 0.325238 O\n0.831420 0.286420 0.662815 O\n0.831432 0.786415 0.662867 O\n0.318123 0.306291 0.636315 O\n0.318173 0.806299 0.636465 O\n0.479795 0.428858 0.959382 O\n0.479840 0.928855 0.959340 O\n0.839066 0.294424 0.182564 O\n0.839093 0.794429 0.182610 O\n0.343568 0.294495 0.182532 O\n0.343554 0.794473 0.182614 O\n0.961841 0.168886 0.464106 O\n0.961931 0.668965 0.463950 O\n0.501496 0.169120 0.463558 O\n0.501746 0.669050 0.463708 O\n0.464008 0.425040 0.494782 O\n0.464030 0.925024 0.494692 O\n0.030939 0.425078 0.494736 O\n0.030968 0.925096 0.494722 O\n0.667065 0.045866 0.835004 O\n0.667024 0.545858 0.835109 O\n0.168511 0.045787 0.835431 O\n0.168344 0.545807 0.835350 O\n",
"nsites": 56,
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"elements": [
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],
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"density": 4.118093221332271,
"density_atomic": 0.08894451476366264,
"volume": 629.6059981753729,
"volume_molar": 6.770671329200711,
"formula_full": "Li8 Ti6 Nb4 Fe6 O32",
"formula_reduced": "Li4Ti3Nb2Fe3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -465.56984193,
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"updated_at": "2021-11-28T01:37:43.180000Z",
"spacegroup": 8
},
{
"id": "mp-758365",
"created_at": "2022-09-04T14:46:38.720202Z",
"structure_string": "Li4 Fe3 Co2 Cu3 O16\n1.0\n5.829210 -0.007437 0.019817\n-2.920832 5.056495 0.000444\n0.034432 0.020258 9.279934\nLi Fe Co Cu O\n4 3 2 3 16\ndirect\n0.322178 0.660562 0.897514 Li\n0.005957 0.002947 0.995008 Li\n0.012901 0.006861 0.489633 Li\n0.663745 0.332037 0.395228 Li\n0.660527 0.830070 0.212526 Fe\n0.827889 0.659204 0.713301 Fe\n0.827972 0.168981 0.713345 Fe\n0.335413 0.667923 0.484845 Co\n0.660389 0.330016 0.986573 Co\n0.170310 0.825345 0.211049 Cu\n0.170303 0.344876 0.211024 Cu\n0.343973 0.171636 0.710387 Cu\n0.167188 0.823644 0.593098 O\n0.045373 0.522960 0.353818 O\n0.327054 0.663210 0.107501 O\n0.014647 0.007699 0.296342 O\n0.015105 0.007801 0.802309 O\n0.166944 0.344659 0.593109 O\n0.480532 0.955822 0.351976 O\n0.480292 0.524671 0.352351 O\n0.346363 0.172895 0.092190 O\n0.660481 0.830361 0.598347 O\n0.520032 0.478384 0.852200 O\n0.520870 0.040816 0.852634 O\n0.658136 0.328948 0.604112 O\n0.821796 0.655398 0.094585 O\n0.951730 0.476090 0.848437 O\n0.821904 0.166485 0.094397 O\n",
"nsites": 28,
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"elements": [
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"O"
],
"chemical_system": "Co-Cu-Fe-Li-O",
"density": 4.616026267881271,
"density_atomic": 0.10244280602846989,
"volume": 273.32324333461264,
"volume_molar": 5.8785394440741765,
"formula_full": "Li4 Fe3 Co2 Cu3 O16",
"formula_reduced": "Li4Fe3Co2Cu3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -177.02431619,
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"updated_at": "2021-11-28T01:37:40.865000Z",
"spacegroup": 8
},
{
"id": "mp-758266",
"created_at": "2022-09-04T14:46:39.455142Z",
"structure_string": "Li4 V2 Co3 Cu3 O16\n1.0\n2.879806 5.024276 0.000000\n-2.879806 5.024276 0.000000\n0.000000 0.252750 9.297627\nLi V Co Cu O\n4 2 3 3 16\ndirect\n0.667038 0.667038 0.896520 Li\n0.996509 0.996509 0.994251 Li\n0.996909 0.996909 0.495594 Li\n0.337138 0.337138 0.399602 Li\n0.667496 0.667496 0.502583 V\n0.334066 0.334066 0.997515 V\n0.827084 0.827084 0.216297 Co\n0.656511 0.170153 0.715240 Co\n0.170153 0.656511 0.715240 Co\n0.830433 0.341591 0.216205 Cu\n0.341591 0.830433 0.216205 Cu\n0.169978 0.169978 0.717161 Cu\n0.820111 0.343978 0.589474 O\n0.525798 0.525798 0.352538 O\n0.671764 0.671764 0.110889 O\n0.993290 0.993290 0.303422 O\n0.993943 0.993943 0.803156 O\n0.343978 0.820111 0.589474 O\n0.959306 0.534690 0.343696 O\n0.534690 0.959306 0.343696 O\n0.171668 0.171668 0.078417 O\n0.826897 0.826897 0.599700 O\n0.492023 0.044035 0.841873 O\n0.044035 0.492023 0.841873 O\n0.337477 0.337477 0.611431 O\n0.650875 0.164152 0.091383 O\n0.478510 0.478510 0.834054 O\n0.164152 0.650875 0.091383 O\n",
"nsites": 28,
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"elements": [
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],
"chemical_system": "Co-Cu-Li-O-V",
"density": 4.647811257538186,
"density_atomic": 0.1040684762085739,
"volume": 269.0536175804327,
"volume_molar": 5.786709846630629,
"formula_full": "Li4 V2 Co3 Cu3 O16",
"formula_reduced": "Li4V2Co3Cu3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -184.51087774,
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"updated_at": "2021-11-28T01:37:48.192000Z",
"spacegroup": 8
},
{
"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,
"nelements": 5,
"elements": [
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"V",
"Cr",
"Fe",
"O"
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