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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=12104",
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"results": [
{
"id": "mp-778284",
"created_at": "2022-09-04T14:39:42.191713Z",
"structure_string": "Li4 V3 Co2 Sn3 O16\n1.0\n6.090651 0.000000 0.000000\n-3.019853 5.340140 0.000000\n-0.042888 -0.034695 9.836725\nLi V Co Sn O\n4 3 2 3 16\ndirect\n0.633202 0.319640 0.892232 Li\n0.038292 0.016699 0.992584 Li\n0.007646 0.998129 0.500597 Li\n0.326078 0.657590 0.396322 Li\n0.342692 0.166565 0.217900 V\n0.127110 0.775206 0.734498 V\n0.189361 0.322824 0.699466 V\n0.679916 0.350765 0.495140 Co\n0.342201 0.669935 0.996046 Co\n0.836874 0.170229 0.212679 Sn\n0.834062 0.663222 0.213175 Sn\n0.654365 0.842842 0.714934 Sn\n0.854014 0.172795 0.601639 O\n0.968773 0.478287 0.338364 O\n0.658434 0.329256 0.098797 O\n0.012748 0.004255 0.318010 O\n0.012009 0.005102 0.809109 O\n0.848261 0.690111 0.603842 O\n0.500207 0.033341 0.329150 O\n0.514731 0.479240 0.333929 O\n0.699364 0.853442 0.091724 O\n0.329503 0.191720 0.598086 O\n0.461741 0.513424 0.833093 O\n0.453728 0.963055 0.832549 O\n0.306944 0.658781 0.608070 O\n0.185763 0.317683 0.107532 O\n0.008062 0.507847 0.834110 O\n0.173920 0.847716 0.104268 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"V",
"Co",
"Sn",
"O"
],
"chemical_system": "Co-Li-O-Sn-V",
"density": 4.726047371305954,
"density_atomic": 0.08751674235652737,
"volume": 319.9387825238406,
"volume_molar": 6.8811299390771286,
"formula_full": "Li4 V3 Co2 Sn3 O16",
"formula_reduced": "Li4V3Co2Sn3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -200.1462849,
"energy_per_atom": -7.148081603571429,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -180.7782849,
"band_gap": 0.8900999999999999,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 9.0004144,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.756000Z",
"spacegroup": 1
},
{
"id": "mp-1176192",
"created_at": "2022-09-04T14:39:42.250249Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n2.988400 0.000000 0.000000\n0.393363 9.895809 0.000000\n0.383763 2.037627 9.791851\nLi Mn Co O\n9 2 5 16\ndirect\n0.006361 0.249685 0.128349 Li\n0.511264 0.752594 0.128755 Li\n0.499946 0.251668 0.375759 Li\n0.003769 0.748356 0.376174 Li\n0.007481 0.252504 0.622213 Li\n0.500815 0.738343 0.630994 Li\n0.490461 0.256020 0.867260 Li\n0.986179 0.745267 0.867349 Li\n0.015324 0.510502 0.749791 Li\n0.009710 0.000992 0.998591 Mn\n0.489623 0.500500 0.994426 Mn\n0.509184 0.998851 0.253096 Co\n0.986868 0.496017 0.252089 Co\n0.992268 0.999901 0.501551 Co\n0.510284 0.499253 0.509307 Co\n0.484359 0.000923 0.747741 Co\n0.547614 0.117321 0.071079 O\n0.973781 0.603867 0.065177 O\n0.993023 0.115065 0.320022 O\n0.528998 0.606741 0.320962 O\n0.478527 0.112568 0.567577 O\n0.043187 0.614461 0.554330 O\n0.026886 0.118501 0.813997 O\n0.502268 0.618535 0.827232 O\n0.460226 0.386995 0.185568 O\n0.023529 0.882328 0.182618 O\n0.972699 0.388818 0.432444 O\n0.510164 0.884391 0.431455 O\n0.502397 0.384543 0.666553 O\n0.952979 0.886336 0.682825 O\n0.010896 0.391571 0.946149 O\n0.468930 0.886580 0.928569 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.146039605034774,
"density_atomic": 0.11050836410322411,
"volume": 289.5708416252485,
"volume_molar": 5.449488650809105,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -207.84931539,
"energy_per_atom": -6.4952911059375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -185.33131539,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0002407,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.166000Z",
"spacegroup": 1
},
{
"id": "mp-778861",
"created_at": "2022-09-04T14:39:43.644607Z",
"structure_string": "Li4 V8 O4 F20\n1.0\n5.224399 0.000000 0.000000\n2.585847 4.881728 0.000000\n2.182007 0.697914 17.173011\nLi V O F\n4 8 4 20\ndirect\n0.503692 0.666470 0.312831 Li\n0.622907 0.794082 0.919598 Li\n0.746089 0.922744 0.562037 Li\n0.274814 0.409222 0.056810 Li\n0.655712 0.603074 0.128211 V\n0.730897 0.769362 0.743444 V\n0.136217 0.121680 0.629385 V\n0.240464 0.255661 0.244004 V\n0.896893 0.861867 0.377704 V\n0.018692 0.978485 0.997730 V\n0.366766 0.404587 0.874532 V\n0.480046 0.511649 0.496045 V\n0.508636 0.918199 0.659944 O\n0.033217 0.407431 0.156086 O\n0.267310 0.661321 0.409433 O\n0.302509 0.685112 0.941176 O\n0.237309 0.799238 0.091426 F\n0.162542 0.814070 0.565254 F\n0.688732 0.297060 0.064388 F\n0.553952 0.937728 0.181050 F\n0.525121 0.539781 0.784658 F\n0.741041 0.318888 0.583543 F\n0.079071 0.000202 0.281523 F\n0.787909 0.758216 0.025002 F\n0.707012 0.731195 0.475080 F\n0.922527 0.556383 0.314025 F\n0.040149 0.453135 0.683643 F\n0.950722 0.600106 0.844506 F\n0.317139 0.259455 0.533781 F\n0.497979 0.057498 0.332859 F\n0.243098 0.207058 0.972822 F\n0.943741 0.980973 0.720258 F\n0.475310 0.468074 0.226512 F\n0.453159 0.054256 0.826533 F\n0.790553 0.195400 0.432038 F\n0.773252 0.162691 0.913104 F\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 3.3335799256484875,
"density_atomic": 0.0821951395734356,
"volume": 437.9821019445623,
"volume_molar": 7.326638522974511,
"formula_full": "Li4 V8 O4 F20",
"formula_reduced": "LiV2OF5",
"formula_anonymous": "ABC2D5",
"energy": -247.85364624,
"energy_per_atom": -6.884823506666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -222.26564624,
"band_gap": 1.1189000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:28.248000Z",
"spacegroup": 1
},
{
"id": "mp-1233878",
"created_at": "2022-09-04T14:39:43.813142Z",
"structure_string": "Mg1 Sc4 Fe4 O12\n1.0\n5.344454 -0.273776 -0.004662\n-0.284692 5.592080 0.002037\n-0.006041 0.002884 7.835585\nMg Sc Fe O\n1 4 4 12\ndirect\n0.055690 0.729413 0.254134 Mg\n0.987521 0.934697 0.749984 Sc\n0.456299 0.420738 0.749770 Sc\n0.524029 0.555324 0.250682 Sc\n0.866944 0.136798 0.249271 Sc\n0.992925 0.460972 0.962718 Fe\n0.991591 0.456874 0.540564 Fe\n0.483043 0.980748 0.990456 Fe\n0.484722 0.980231 0.509711 Fe\n0.151669 0.409192 0.247762 O\n0.201009 0.160145 0.583469 O\n0.200784 0.162060 0.915220 O\n0.320053 0.662140 0.567590 O\n0.319791 0.665764 0.926269 O\n0.380874 0.908358 0.249243 O\n0.648421 0.072902 0.750023 O\n0.666358 0.312236 0.076786 O\n0.667698 0.312059 0.423082 O\n0.810130 0.830021 0.082023 O\n0.808690 0.832354 0.420972 O\n0.819260 0.579473 0.750274 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Mg",
"Sc",
"Fe",
"O"
],
"chemical_system": "Fe-Mg-O-Sc",
"density": 4.404308175451129,
"density_atomic": 0.089909497618346,
"volume": 233.56820532066857,
"volume_molar": 6.6980029023887955,
"formula_full": "Mg1 Sc4 Fe4 O12",
"formula_reduced": "MgSc4(FeO3)4",
"formula_anonymous": "AB4C4D12",
"energy": -175.44410525,
"energy_per_atom": -8.354481202380953,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -158.17610525,
"band_gap": 1.7381000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 17.9999174,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:37.776000Z",
"spacegroup": 1
},
{
"id": "mp-752920",
"created_at": "2022-09-04T14:39:42.316170Z",
"structure_string": "Li8 Mn2 Sb4 W2 O24\n1.0\n5.438847 -0.006957 -0.001825\n0.594147 9.042974 0.005631\n0.598770 3.235886 8.462064\nLi Mn Sb W O\n8 2 4 2 24\ndirect\n0.560265 0.650032 0.651695 Li\n0.560186 0.150017 0.151743 Li\n0.087792 0.135806 0.636219 Li\n0.087930 0.635756 0.136225 Li\n0.437460 0.855136 0.853901 Li\n0.437124 0.354860 0.353955 Li\n0.100295 0.403391 0.904685 Li\n0.100065 0.903341 0.404682 Li\n0.508399 0.500564 0.999119 Mn\n0.508363 0.000433 0.498974 Mn\n0.995770 0.753731 0.751131 Sb\n0.995666 0.254004 0.250910 Sb\n0.510905 0.249777 0.750103 Sb\n0.510897 0.749723 0.250133 Sb\n0.000075 0.502204 0.503232 W\n0.000007 0.002356 0.003186 W\n0.802198 0.868977 0.560123 O\n0.802242 0.369033 0.059997 O\n0.004692 0.942649 0.816428 O\n0.004413 0.442781 0.316386 O\n0.180737 0.185737 0.874551 O\n0.180817 0.685800 0.374518 O\n0.306109 0.818160 0.618203 O\n0.306220 0.318148 0.118143 O\n0.306120 0.373694 0.560381 O\n0.306127 0.873586 0.060355 O\n0.481550 0.062576 0.686900 O\n0.481469 0.562574 0.186911 O\n0.484745 0.438782 0.811475 O\n0.484674 0.938761 0.311476 O\n0.687654 0.118049 0.945744 O\n0.687519 0.618127 0.445700 O\n0.676206 0.685176 0.867772 O\n0.676203 0.185099 0.367758 O\n0.827180 0.308618 0.622832 O\n0.827140 0.808591 0.122853 O\n0.993137 0.558797 0.686948 O\n0.993300 0.058758 0.186902 O\n0.191441 0.623063 0.934656 O\n0.191697 0.124523 0.434295 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Sb",
"W",
"O"
],
"chemical_system": "Li-Mn-O-Sb-W",
"density": 5.60294032153699,
"density_atomic": 0.09612267627847744,
"volume": 416.13489707793633,
"volume_molar": 6.265057313378614,
"formula_full": "Li8 Mn2 Sb4 W2 O24",
"formula_reduced": "Li4MnSb2WO12",
"formula_anonymous": "ABC2D4E12",
"energy": -278.38333235,
"energy_per_atom": -6.95958330875,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -249.68333235,
"band_gap": 0.7429999999999999,
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"is_magnetic": true,
"total_magnetization": 8e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:31.731000Z",
"spacegroup": 1
},
{
"id": "mp-695582",
"created_at": "2022-09-04T14:39:42.319584Z",
"structure_string": "Na3 Sr4 La3 Ti10 O30\n1.0\n5.543608 0.000000 0.000000\n-0.042335 5.548668 0.000000\n-2.744953 -2.770009 19.518839\nNa Sr La Ti O\n3 4 3 10 30\ndirect\n0.148807 0.643039 0.300116 Na\n0.746087 0.246392 0.499043 Na\n0.347180 0.849637 0.698492 Na\n0.048913 0.550924 0.100532 Sr\n0.549590 0.049891 0.098930 Sr\n0.448247 0.952603 0.897321 Sr\n0.949346 0.453104 0.898900 Sr\n0.649213 0.140597 0.299660 La\n0.246039 0.745576 0.498539 La\n0.846215 0.350114 0.697271 La\n0.097359 0.095208 0.200482 Ti\n0.696730 0.690178 0.399207 Ti\n0.599793 0.595990 0.201064 Ti\n0.295314 0.297169 0.597662 Ti\n0.197086 0.191316 0.399718 Ti\n0.793611 0.796792 0.598083 Ti\n0.393360 0.402032 0.796277 Ti\n0.998733 0.002401 0.998285 Ti\n0.897725 0.906011 0.796180 Ti\n0.499186 0.503186 0.998485 Ti\n0.752990 0.251654 0.000340 O\n0.527807 0.529518 0.101488 O\n0.110680 0.122895 0.301657 O\n0.848192 0.349443 0.202470 O\n0.755575 0.755360 0.009122 O\n0.843400 0.852455 0.190698 O\n0.704038 0.719261 0.500277 O\n0.447585 0.950712 0.401452 O\n0.454352 0.436399 0.384709 O\n0.367408 0.352261 0.214281 O\n0.359061 0.860164 0.202811 O\n0.075374 0.075702 0.101364 O\n0.309692 0.318429 0.699026 O\n0.147896 0.646099 0.798138 O\n0.045930 0.547901 0.600162 O\n0.961441 0.961426 0.416212 O\n0.052635 0.035002 0.583782 O\n0.957317 0.461052 0.401283 O\n0.683282 0.696823 0.301503 O\n0.925866 0.928145 0.899409 O\n0.654319 0.152121 0.798065 O\n0.560149 0.559100 0.615360 O\n0.655699 0.632547 0.786138 O\n0.555374 0.057312 0.599993 O\n0.284647 0.301612 0.500427 O\n0.152192 0.160025 0.809935 O\n0.249184 0.244019 0.991088 O\n0.882771 0.892719 0.699003 O\n0.473374 0.474601 0.899383 O\n0.250031 0.748882 0.000124 O\n",
"nsites": 50,
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"elements": [
"Na",
"Sr",
"La",
"Ti",
"O"
],
"chemical_system": "La-Na-O-Sr-Ti",
"density": 4.9640278680418115,
"density_atomic": 0.08327885966107387,
"volume": 600.3924669896861,
"volume_molar": 7.231295894911087,
"formula_full": "Na3 Sr4 La3 Ti10 O30",
"formula_reduced": "Na3Sr4La3Ti10O30",
"formula_anonymous": "A3B3C4D10E30",
"energy": -426.9473987900001,
"energy_per_atom": -8.538947975800001,
"energy_above_hull": null,
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"energy_uncorrected": -406.33739879000007,
"band_gap": 1.9424,
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"total_magnetization": 0.0034263,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:44.787000Z",
"spacegroup": 1
},
{
"id": "mp-1239235",
"created_at": "2022-09-04T14:39:42.362004Z",
"structure_string": "Nb2 Cr6 Cu4 S16\n1.0\n6.344281 -0.044582 0.549010\n-0.103548 7.233132 1.104801\n-0.037343 -0.081638 12.174761\nNb Cr Cu S\n2 6 4 16\ndirect\n0.858735 0.296412 0.301233 Nb\n0.630103 0.445888 0.699613 Nb\n0.152845 0.701026 0.707229 Cr\n0.245745 0.878829 0.998203 Cr\n0.756318 0.116657 0.000386 Cr\n0.366421 0.560373 0.292769 Cr\n0.365525 0.042664 0.293661 Cr\n0.616825 0.947691 0.705898 Cr\n0.132967 0.197585 0.708269 Cu\n0.875919 0.802865 0.292286 Cu\n0.249689 0.374909 0.997012 Cu\n0.749636 0.631730 0.003003 Cu\n0.100701 0.658618 0.893414 S\n0.892007 0.346434 0.109191 S\n0.097724 0.147112 0.898851 S\n0.904382 0.853171 0.100691 S\n0.190881 0.780572 0.368105 S\n0.814480 0.210773 0.627996 S\n0.198371 0.284005 0.369330 S\n0.822656 0.722281 0.632637 S\n0.307320 0.969693 0.632434 S\n0.682848 0.021295 0.373444 S\n0.301862 0.464545 0.625946 S\n0.683381 0.541291 0.370722 S\n0.404917 0.094013 0.104055 S\n0.595563 0.906366 0.895150 S\n0.391871 0.601452 0.105656 S\n0.610309 0.401750 0.892815 S\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Nb",
"Cr",
"Cu",
"S"
],
"chemical_system": "Cr-Cu-Nb-S",
"density": 3.7553796242669844,
"density_atomic": 0.05005732840219481,
"volume": 559.3586572385336,
"volume_molar": 12.03048774719658,
"formula_full": "Nb2 Cr6 Cu4 S16",
"formula_reduced": "NbCr3(CuS4)2",
"formula_anonymous": "AB2C3D8",
"energy": -181.93207161,
"energy_per_atom": -6.497573986071429,
"energy_above_hull": null,
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"energy_uncorrected": -173.88407161,
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"updated_at": "2021-11-28T01:34:32.348000Z",
"spacegroup": 1
},
{
"id": "mp-777110",
"created_at": "2022-09-04T14:39:42.376815Z",
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{
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{
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"structure_string": "Li6 Mn1 V3 P6 O24\n1.0\n6.375945 0.000000 0.000000\n-2.363014 8.263951 0.000000\n-2.390917 -1.367100 8.219323\nLi Mn V P O\n6 1 3 6 24\ndirect\n0.251569 0.995047 0.004337 Li\n0.751453 0.715280 0.290175 Li\n0.500850 0.499373 0.500434 Li\n0.998237 0.497479 0.499834 Li\n0.247336 0.287741 0.709892 Li\n0.747558 0.008234 0.997231 Li\n0.634073 0.059790 0.373812 Mn\n0.358805 0.941873 0.621423 V\n0.862822 0.621220 0.943262 V\n0.139179 0.381025 0.056549 V\n0.250616 0.714190 0.287355 P\n0.863293 0.859591 0.663990 P\n0.364692 0.661233 0.861707 P\n0.634094 0.339460 0.132407 P\n0.135989 0.138362 0.339653 P\n0.748842 0.285003 0.714091 P\n0.088372 0.986234 0.658257 O\n0.672098 0.945153 0.615161 O\n0.034522 0.742517 0.172091 O\n0.472944 0.827794 0.262595 O\n0.393401 0.844945 0.841598 O\n0.231291 0.735561 0.461805 O\n0.906185 0.838918 0.848384 O\n0.794557 0.702042 0.544886 O\n0.177525 0.602493 0.951249 O\n0.594319 0.661211 0.986013 O\n0.266779 0.536953 0.262256 O\n0.294579 0.543044 0.704302 O\n0.703226 0.452101 0.293517 O\n0.732311 0.462230 0.737764 O\n0.406527 0.346481 0.010591 O\n0.825071 0.402547 0.047499 O\n0.204010 0.296999 0.457455 O\n0.112473 0.160537 0.158246 O\n0.771104 0.262481 0.539228 O\n0.602378 0.153795 0.142019 O\n0.530764 0.172128 0.740957 O\n0.965451 0.257706 0.830501 O\n0.325528 0.048777 0.401162 O\n0.905176 0.012453 0.336312 O\n",
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{
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"structure_string": "Ti16 N16 O8\n1.0\n8.215685 0.000000 0.000000\n-2.724618 7.763043 0.000000\n-2.736697 -3.873914 6.723313\nTi N O\n16 16 8\ndirect\n0.013515 0.011252 0.522151 Ti\n0.236496 0.029886 0.284862 Ti\n0.044030 0.294223 0.253485 Ti\n0.458447 0.207976 0.749391 Ti\n0.305301 0.758280 0.542994 Ti\n0.785982 0.732151 0.034058 Ti\n0.483147 0.496796 0.486986 Ti\n0.509594 0.994092 0.995332 Ti\n0.253824 0.538624 0.797764 Ti\n0.001597 0.497940 0.988219 Ti\n0.748421 0.449129 0.210104 Ti\n0.717372 0.260674 0.460508 Ti\n0.198452 0.252190 0.964540 Ti\n0.952985 0.706152 0.745667 Ti\n0.546035 0.796703 0.250446 Ti\n0.753885 0.965771 0.701418 Ti\n0.048892 0.777694 0.041839 N\n0.224907 0.948447 0.486292 N\n0.720817 0.461119 0.950842 N\n0.265264 0.493325 0.538698 N\n0.547073 0.008507 0.777454 N\n0.735921 0.511287 0.457339 N\n0.235645 0.275269 0.726929 N\n0.772301 0.223065 0.232202 N\n0.007184 0.955620 0.732481 N\n0.275548 0.545528 0.054315 N\n0.543410 0.769438 0.992779 N\n0.275409 0.264102 0.225208 N\n0.958988 0.449258 0.723913 N\n0.774645 0.048910 0.509068 N\n0.490441 0.724963 0.449914 N\n0.948954 0.227163 0.959980 N\n0.510255 0.272928 0.548951 O\n0.723437 0.726123 0.774012 O\n0.034754 0.547759 0.277027 O\n0.461174 0.234739 0.009815 O\n0.992700 0.044720 0.269219 O\n0.225848 0.776920 0.773364 O\n0.765985 0.727736 0.272317 O\n0.451363 0.993542 0.228115 O\n",
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]
}