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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_anonymous&page=11478",
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"results": [
{
"id": "mp-1177530",
"created_at": "2022-09-04T14:47:21.884293Z",
"structure_string": "Li4 Mn2 Ni3 Sn3 O16\n1.0\n3.040464 5.213655 0.000000\n-3.040464 5.213655 0.000000\n0.000000 0.024264 9.537999\nLi Mn Ni Sn O\n4 2 3 3 16\ndirect\n0.328498 0.328498 0.109245 Li\n0.017858 0.017858 0.011584 Li\n0.012551 0.012551 0.500085 Li\n0.665188 0.665188 0.600357 Li\n0.328897 0.328897 0.511209 Mn\n0.657406 0.657406 0.019426 Mn\n0.169541 0.169541 0.786482 Ni\n0.826620 0.340833 0.287727 Ni\n0.340833 0.826620 0.287727 Ni\n0.659165 0.168828 0.788174 Sn\n0.168828 0.659165 0.788174 Sn\n0.829352 0.829352 0.287985 Sn\n0.663759 0.169171 0.405041 O\n0.480350 0.480350 0.648857 O\n0.329771 0.329771 0.903045 O\n0.002709 0.002709 0.687895 O\n0.009302 0.009302 0.199580 O\n0.169171 0.663759 0.405041 O\n0.478534 0.041470 0.646576 O\n0.041470 0.478534 0.646576 O\n0.832029 0.832029 0.908782 O\n0.174231 0.174231 0.400721 O\n0.952374 0.517401 0.150231 O\n0.517401 0.952374 0.150231 O\n0.657532 0.657532 0.393303 O\n0.826501 0.339796 0.907101 O\n0.519128 0.519128 0.153886 O\n0.339796 0.826501 0.907101 O\n",
"nsites": 28,
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"elements": [
"Li",
"Mn",
"Ni",
"Sn",
"O"
],
"chemical_system": "Li-Mn-Ni-O-Sn",
"density": 5.084121701202261,
"density_atomic": 0.0925952285606888,
"volume": 302.39139138414924,
"volume_molar": 6.503726869741421,
"formula_full": "Li4 Mn2 Ni3 Sn3 O16",
"formula_reduced": "Li4Mn2Ni3Sn3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -184.94719722,
"energy_per_atom": -6.605257043571428,
"energy_above_hull": null,
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"energy_uncorrected": -162.99619722,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:05.501000Z",
"spacegroup": 8
},
{
"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,
"nelements": 5,
"elements": [
"Li",
"Al",
"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,
"energy_per_atom": -7.427718027142857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -381.97420952,
"band_gap": 2.5052000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.7e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:07.704000Z",
"spacegroup": 8
},
{
"id": "mp-774825",
"created_at": "2022-09-04T14:45:27.526777Z",
"structure_string": "Li8 Nb6 Co6 Te4 O32\n1.0\n-3.055127 5.284920 -0.001782\n-9.268251 -5.344195 0.084856\n3.037554 5.271293 10.472282\nLi Nb Co Te O\n8 6 6 4 32\ndirect\n0.546484 0.788737 0.906520 Li\n0.046520 0.288718 0.906530 Li\n0.002267 0.997604 0.995952 Li\n0.502155 0.497597 0.995939 Li\n0.258030 0.735737 0.484153 Li\n0.758076 0.235750 0.484153 Li\n0.299870 0.363136 0.400528 Li\n0.799910 0.863124 0.400518 Li\n0.882691 0.298210 0.234739 Nb\n0.382711 0.798209 0.234747 Nb\n0.387911 0.456899 0.718543 Nb\n0.887936 0.956853 0.718537 Nb\n0.891993 0.456988 0.719101 Nb\n0.392001 0.956890 0.719077 Nb\n0.145290 0.668343 0.710408 Co\n0.645274 0.168315 0.710431 Co\n0.136563 0.520883 0.214615 Co\n0.636570 0.020978 0.214571 Co\n0.648684 0.520957 0.214686 Co\n0.148768 0.020951 0.214722 Co\n0.752441 0.611418 0.495616 Te\n0.252442 0.111436 0.495610 Te\n0.490656 0.181393 0.018321 Te\n0.990695 0.681400 0.018362 Te\n0.824475 0.658634 0.351575 O\n0.324492 0.158649 0.351548 O\n0.945486 0.376658 0.107663 O\n0.445016 0.876823 0.107721 O\n0.850555 0.155468 0.299544 O\n0.350185 0.655551 0.299621 O\n0.596062 0.405110 0.808555 O\n0.096048 0.905096 0.808561 O\n0.449763 0.385348 0.100735 O\n0.949880 0.885311 0.100836 O\n0.697890 0.446706 0.604322 O\n0.197885 0.946693 0.604316 O\n0.199875 0.450207 0.597403 O\n0.699872 0.950183 0.597405 O\n0.091161 0.421842 0.818524 O\n0.591157 0.921822 0.818527 O\n0.954789 0.726766 0.589854 O\n0.454745 0.226806 0.589844 O\n0.455455 0.726290 0.589948 O\n0.955703 0.226340 0.589880 O\n0.066222 0.412008 0.333228 O\n0.566537 0.911897 0.333102 O\n0.601192 0.412782 0.333827 O\n0.101277 0.912789 0.333861 O\n0.347187 0.649651 0.826967 O\n0.847106 0.149621 0.826989 O\n0.825867 0.649749 0.827074 O\n0.325861 0.149706 0.827044 O\n0.697086 0.138091 0.102613 O\n0.197147 0.638151 0.102592 O\n0.200413 0.138305 0.102809 O\n0.700433 0.638256 0.102811 O\n",
"nsites": 56,
"nelements": 5,
"elements": [
"Li",
"Nb",
"Co",
"Te",
"O"
],
"chemical_system": "Co-Li-Nb-O-Te",
"density": 4.809397249371113,
"density_atomic": 0.08154672677166626,
"volume": 686.7228424361164,
"volume_molar": 7.3848957504599895,
"formula_full": "Li8 Nb6 Co6 Te4 O32",
"formula_reduced": "Li4Nb3Co3(TeO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -411.26114169,
"energy_per_atom": -7.3439489587499995,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -379.44914169,
"band_gap": 0.7834999999999996,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:58.881000Z",
"spacegroup": 8
},
{
"id": "mp-777427",
"created_at": "2022-09-04T14:45:29.399554Z",
"structure_string": "Li4 Mn2 V3 Sn3 O16\n1.0\n6.125091 0.000000 0.000000\n3.030438 5.332012 0.000000\n0.024531 0.001953 10.003534\nLi Mn V Sn O\n4 2 3 3 16\ndirect\n0.673094 0.650280 0.888149 Li\n0.989739 0.027373 0.995051 Li\n0.988821 0.016251 0.500791 Li\n0.338483 0.326944 0.393462 Li\n0.665022 0.663802 0.501094 Mn\n0.335834 0.333358 0.996997 Mn\n0.832343 0.338978 0.216985 V\n0.177850 0.160414 0.717365 V\n0.666041 0.166872 0.713217 V\n0.831560 0.832967 0.214772 Sn\n0.337030 0.832165 0.215156 Sn\n0.168315 0.658418 0.714979 Sn\n0.840390 0.847941 0.603822 O\n0.519416 0.969342 0.335494 O\n0.671169 0.658652 0.100167 O\n0.994968 0.010904 0.319544 O\n0.996100 0.004973 0.814674 O\n0.303010 0.866241 0.604105 O\n0.967625 0.497232 0.327536 O\n0.522707 0.507586 0.329874 O\n0.148448 0.697284 0.096253 O\n0.832946 0.308679 0.613300 O\n0.489016 0.473620 0.829762 O\n0.037379 0.454121 0.828246 O\n0.342054 0.318721 0.604569 O\n0.689508 0.176551 0.107260 O\n0.492580 0.032628 0.819499 O\n0.148852 0.167703 0.105716 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Mn",
"V",
"Sn",
"O"
],
"chemical_system": "Li-Mn-O-Sn-V",
"density": 4.587542369440261,
"density_atomic": 0.08570396514369817,
"volume": 326.7060042444121,
"volume_molar": 7.026676945346454,
"formula_full": "Li4 Mn2 V3 Sn3 O16",
"formula_reduced": "Li4Mn2V3Sn3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -207.70734725,
"energy_per_atom": -7.418119544642857,
"energy_above_hull": null,
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"energy_uncorrected": -188.27934725,
"band_gap": 1.0476,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:02.809000Z",
"spacegroup": 1
},
{
"id": "mp-774605",
"created_at": "2022-09-04T14:45:31.325684Z",
"structure_string": "Li8 Co6 Sn4 Sb6 O32\n1.0\n-3.101587 5.372176 -0.000069\n-0.125562 -0.072762 19.828153\n6.231077 0.016113 -0.039005\nLi Co Sn Sb O\n8 6 4 6 32\ndirect\n0.661111 0.442640 0.322197 Li\n0.661100 0.942632 0.322179 Li\n0.988116 0.491318 0.976213 Li\n0.988111 0.991293 0.976198 Li\n0.993250 0.251345 0.986470 Li\n0.993244 0.751360 0.986449 Li\n0.324979 0.203992 0.649969 Li\n0.324995 0.703994 0.649967 Li\n0.661687 0.355824 0.835181 Co\n0.661734 0.855835 0.835232 Co\n0.173500 0.355825 0.835159 Co\n0.173538 0.855838 0.835252 Co\n0.831077 0.607091 0.662166 Co\n0.831082 0.107104 0.662149 Co\n0.678007 0.251497 0.355990 Sn\n0.678063 0.751509 0.356087 Sn\n0.344930 0.488789 0.689881 Sn\n0.345003 0.988766 0.689927 Sn\n0.171945 0.357293 0.343834 Sb\n0.171838 0.857327 0.343674 Sb\n0.832051 0.107844 0.169776 Sb\n0.832029 0.607857 0.169801 Sb\n0.337743 0.107846 0.169763 Sb\n0.337791 0.607862 0.169777 Sb\n0.516148 0.169423 0.032311 O\n0.516184 0.669460 0.032309 O\n0.660278 0.052604 0.320617 O\n0.660266 0.552605 0.320523 O\n0.003259 0.157573 0.006431 O\n0.003313 0.657584 0.006594 O\n0.009610 0.401230 0.019186 O\n0.009621 0.901224 0.019192 O\n0.161676 0.051647 0.323274 O\n0.161636 0.551635 0.323260 O\n0.842689 0.297609 0.685385 O\n0.842703 0.797671 0.685387 O\n0.324197 0.303080 0.648348 O\n0.324196 0.803101 0.648415 O\n0.484634 0.421035 0.969260 O\n0.484690 0.921070 0.969361 O\n0.850522 0.297106 0.178527 O\n0.850448 0.797165 0.178410 O\n0.328010 0.297113 0.178487 O\n0.327976 0.797160 0.178429 O\n0.959929 0.169812 0.470134 O\n0.959839 0.669835 0.470209 O\n0.510189 0.169808 0.470116 O\n0.510394 0.669842 0.470215 O\n0.471547 0.421720 0.503501 O\n0.471556 0.921767 0.503474 O\n0.031970 0.421723 0.503480 O\n0.031947 0.921782 0.503461 O\n0.680022 0.050442 0.847125 O\n0.680047 0.550445 0.847063 O\n0.167169 0.050449 0.847142 O\n0.167015 0.550438 0.847084 O\n",
"nsites": 56,
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"elements": [
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"Co",
"Sn",
"Sb",
"O"
],
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"density": 5.312458656022054,
"density_atomic": 0.08424952829501328,
"volume": 664.6921488261274,
"volume_molar": 7.147981575531801,
"formula_full": "Li8 Co6 Sn4 Sb6 O32",
"formula_reduced": "Li4Co3Sn2Sb3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -363.84043226,
"energy_per_atom": -6.497150576071428,
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"updated_at": "2021-11-28T01:37:07.949000Z",
"spacegroup": 8
},
{
"id": "mp-759505",
"created_at": "2022-09-04T14:45:35.152337Z",
"structure_string": "Li4 Ti2 Co3 Ni3 O16\n1.0\n2.843346 5.102191 0.000000\n-2.843346 5.102191 0.000000\n0.000000 0.428360 9.391806\nLi Ti Co Ni O\n4 2 3 3 16\ndirect\n0.658039 0.658039 0.103043 Li\n0.999698 0.999698 0.005395 Li\n0.004530 0.004530 0.503478 Li\n0.332465 0.332465 0.606164 Li\n0.669666 0.669666 0.504524 Ti\n0.330724 0.330724 0.004290 Ti\n0.342811 0.833556 0.783939 Co\n0.833556 0.342811 0.783939 Co\n0.171371 0.171371 0.283652 Co\n0.832293 0.832293 0.788601 Ni\n0.168081 0.662847 0.286120 Ni\n0.662847 0.168081 0.286120 Ni\n0.340323 0.846821 0.401583 O\n0.518949 0.518949 0.666703 O\n0.653673 0.653673 0.889892 O\n0.011525 0.011525 0.694669 O\n0.007481 0.007481 0.195531 O\n0.846821 0.340323 0.401583 O\n0.501790 0.959608 0.658983 O\n0.959608 0.501790 0.658983 O\n0.165378 0.165378 0.895836 O\n0.840609 0.840609 0.408512 O\n0.030718 0.469086 0.158362 O\n0.469086 0.030718 0.158362 O\n0.328394 0.328394 0.385716 O\n0.181235 0.668374 0.908447 O\n0.475551 0.475551 0.161048 O\n0.668374 0.181235 0.908447 O\n",
"nsites": 28,
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"elements": [
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"Ti",
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],
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"density": 4.462857654153273,
"density_atomic": 0.10275252410703514,
"volume": 272.49938863626346,
"volume_molar": 5.860820269219725,
"formula_full": "Li4 Ti2 Co3 Ni3 O16",
"formula_reduced": "Li4Ti2Co3Ni3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -193.63162395,
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"updated_at": "2021-11-28T01:37:00.608000Z",
"spacegroup": 8
},
{
"id": "mp-775442",
"created_at": "2022-09-04T14:45:27.455754Z",
"structure_string": "Li4 V3 Ni3 Sn2 O16\n1.0\n-5.946755 0.000000 0.000000\n2.963689 5.178991 0.000000\n-0.016066 -0.146492 -9.730861\nLi V Ni Sn O\n4 3 3 2 16\ndirect\n0.659712 0.317648 0.887658 Li\n0.998878 0.002712 0.988302 Li\n0.000747 0.003108 0.497177 Li\n0.330103 0.656130 0.401849 Li\n0.335238 0.176605 0.212857 V\n0.821267 0.172059 0.218631 V\n0.171629 0.344332 0.719183 V\n0.832148 0.663705 0.212207 Ni\n0.169687 0.828979 0.712153 Ni\n0.659033 0.828773 0.712520 Ni\n0.673035 0.345889 0.502513 Sn\n0.340210 0.681560 0.985845 Sn\n0.326658 0.175005 0.600943 O\n0.530161 0.033245 0.334684 O\n0.671092 0.308182 0.104332 O\n0.001138 0.021767 0.306454 O\n0.013753 0.028008 0.802431 O\n0.848914 0.176486 0.602149 O\n0.503239 0.458039 0.333018 O\n0.961531 0.462639 0.334415 O\n0.161023 0.332585 0.108252 O\n0.845682 0.691551 0.591206 O\n0.029545 0.496016 0.841312 O\n0.465074 0.494357 0.841891 O\n0.311236 0.621322 0.603550 O\n0.177335 0.861279 0.105201 O\n0.480359 0.961980 0.842081 O\n0.681273 0.856036 0.105024 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"V",
"Ni",
"Sn",
"O"
],
"chemical_system": "Li-Ni-O-Sn-V",
"density": 4.71011992160993,
"density_atomic": 0.09342896971329964,
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