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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy&page=10221",
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"results": [
{
"id": "mp-1650669",
"created_at": "2022-09-04T14:42:07.511378Z",
"structure_string": "Li14 Mn10 O24\n1.0\n2.549477 5.334319 -1.316092\n0.053022 -0.331193 7.806992\n8.161008 -5.225922 -3.073603\nLi Mn O\n14 10 24\ndirect\n0.562929 0.347001 0.265930 Li\n0.103918 0.319519 0.734093 Li\n0.086878 0.340068 0.254339 Li\n0.579931 0.326712 0.745557 Li\n0.833323 0.333322 0.999933 Li\n0.333438 0.333197 0.499979 Li\n0.421730 0.664631 0.251822 Li\n0.923603 0.662385 0.743131 Li\n0.743182 0.004222 0.256805 Li\n0.245024 0.001991 0.748131 Li\n0.904968 0.676514 0.258213 Li\n0.437302 0.640077 0.729056 Li\n0.229379 0.026566 0.270906 Li\n0.761806 0.990066 0.741694 Li\n0.833491 0.333300 0.500066 Mn\n0.333278 0.333384 0.999986 Mn\n0.993839 0.004852 0.002372 Mn\n0.491900 0.006836 0.503815 Mn\n0.174945 0.659787 0.496235 Mn\n0.672653 0.661894 0.997540 Mn\n0.503187 0.004042 0.999474 Mn\n0.999149 0.005093 0.504206 Mn\n0.163455 0.662844 0.000470 Mn\n0.667235 0.661313 0.495745 Mn\n0.154021 0.488321 0.101569 O\n0.651523 0.488576 0.606147 O\n0.015230 0.178003 0.393884 O\n0.512490 0.178432 0.898376 O\n0.943904 0.835381 0.117056 O\n0.447808 0.833418 0.619142 O\n0.218986 0.833202 0.380940 O\n0.722468 0.831475 0.882937 O\n0.614415 0.502485 0.112362 O\n0.112622 0.501655 0.617502 O\n0.554213 0.164981 0.382662 O\n0.052024 0.164308 0.887612 O\n0.472493 0.812568 0.097119 O\n0.944335 0.834616 0.617312 O\n0.722309 0.831991 0.382919 O\n0.193930 0.854168 0.902941 O\n0.272404 0.171977 0.119543 O\n0.775542 0.176822 0.621004 O\n0.891468 0.490015 0.379069 O\n0.394155 0.494666 0.880430 O\n0.801435 0.138018 0.103427 O\n0.274564 0.158881 0.620940 O\n0.392083 0.507707 0.379049 O\n0.865034 0.528717 0.896556 O\n",
"nsites": 48,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 3.852847688905365,
"density_atomic": 0.10807098410561125,
"volume": 444.1525206533929,
"volume_molar": 5.572393746424041,
"formula_full": "Li14 Mn10 O24",
"formula_reduced": "Li7Mn5O12",
"formula_anonymous": "A5B7C12",
"energy": -339.57035927,
"energy_per_atom": -7.074382484791666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -306.40235927,
"band_gap": 0.5268999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 36.0042298,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:35.770000Z",
"spacegroup": 2
},
{
"id": "mp-584129",
"created_at": "2022-09-04T14:40:21.783982Z",
"structure_string": "Li8 Ni4 P8 O28\n1.0\n0.006789 -6.314644 5.569924\n4.982197 6.327510 2.789379\n-5.079984 6.341606 2.566152\nLi Ni P O\n8 4 8 28\ndirect\n0.002508 0.436494 0.725926 Li\n0.002508 0.936494 0.225926 Li\n0.997492 0.063506 0.774074 Li\n0.997492 0.563506 0.274074 Li\n0.566291 0.808689 0.571269 Li\n0.566291 0.308689 0.071269 Li\n0.433709 0.691311 0.928731 Li\n0.433709 0.191311 0.428731 Li\n0.720733 0.089586 0.862283 Ni\n0.279267 0.410414 0.637717 Ni\n0.720733 0.589586 0.362283 Ni\n0.279267 0.910414 0.137717 Ni\n0.823510 0.237081 0.464918 P\n0.823510 0.737081 0.964918 P\n0.176490 0.262919 0.035082 P\n0.176490 0.762919 0.535082 P\n0.307591 0.523057 0.240688 P\n0.307591 0.023057 0.740688 P\n0.692409 0.976943 0.259312 P\n0.692409 0.476943 0.759312 P\n0.846390 0.102992 0.380571 O\n0.846390 0.602992 0.880571 O\n0.153610 0.397008 0.119429 O\n0.153610 0.897008 0.619429 O\n0.335685 0.698199 0.119688 O\n0.335685 0.198199 0.619688 O\n0.664315 0.801801 0.380312 O\n0.664315 0.301801 0.880312 O\n0.223461 0.512408 0.376555 O\n0.223461 0.012408 0.876555 O\n0.776539 0.987592 0.123445 O\n0.776539 0.487592 0.623445 O\n0.532959 0.052417 0.189407 O\n0.532959 0.552417 0.689407 O\n0.467041 0.447583 0.310593 O\n0.467041 0.947583 0.810593 O\n0.781885 0.888123 0.816122 O\n0.781885 0.388123 0.316122 O\n0.218115 0.611877 0.683878 O\n0.218115 0.111877 0.183878 O\n0.007183 0.784119 0.091980 O\n0.007183 0.284119 0.591980 O\n0.992817 0.715881 0.408020 O\n0.992817 0.215881 0.908020 O\n0.679231 0.648380 0.055767 O\n0.679231 0.148380 0.555767 O\n0.320769 0.851620 0.444233 O\n0.320769 0.351620 0.944233 O\n",
"nsites": 48,
"nelements": 4,
"elements": [
"Li",
"Ni",
"P",
"O"
],
"chemical_system": "Li-Ni-O-P",
"density": 3.1175690609402733,
"density_atomic": 0.09138992486667936,
"volume": 525.2220096473756,
"volume_molar": 6.589501817388695,
"formula_full": "Li8 Ni4 P8 O28",
"formula_reduced": "Li2NiP2O7",
"formula_anonymous": "AB2C2D7",
"energy": -339.58208492999995,
"energy_per_atom": -7.074626769374999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -310.18208493,
"band_gap": 4.13,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.784000Z",
"spacegroup": 2
},
{
"id": "mp-1977994",
"created_at": "2022-09-04T14:43:53.422727Z",
"structure_string": "Li14 Mn10 O24\n1.0\n5.108482 0.268427 0.749311\n-2.198229 5.513082 0.930814\n-3.271456 -5.233601 13.758537\nLi Mn O\n14 10 24\ndirect\n0.335193 0.169271 0.334211 Li\n0.831447 0.655909 0.834626 Li\n0.574784 0.170170 0.084346 Li\n0.077259 0.659260 0.582651 Li\n0.579300 0.659894 0.080795 Li\n0.080885 0.169312 0.582034 Li\n0.764242 0.014602 0.256347 Li\n0.263269 0.510744 0.755669 Li\n0.923695 0.334307 0.417716 Li\n0.418696 0.820945 0.915424 Li\n0.913588 0.827515 0.410245 Li\n0.419857 0.336587 0.911214 Li\n0.747900 0.500343 0.253557 Li\n0.251944 0.993825 0.753081 Li\n0.836312 0.155374 0.832668 Mn\n0.327320 0.664902 0.333592 Mn\n0.495457 0.497606 0.499312 Mn\n0.989868 0.994916 0.996932 Mn\n0.173629 0.848102 0.168033 Mn\n0.682086 0.336644 0.668818 Mn\n0.499849 0.002785 0.497916 Mn\n0.995366 0.500909 0.997228 Mn\n0.168133 0.341112 0.168100 Mn\n0.668082 0.828362 0.668576 Mn\n0.271660 0.357501 0.048323 O\n0.754649 0.825941 0.543619 O\n0.917246 0.517791 0.125955 O\n0.417592 0.005553 0.625021 O\n0.417500 0.172093 0.202384 O\n0.921304 0.665527 0.702666 O\n0.247030 0.178218 0.467156 O\n0.721452 0.643605 0.962912 O\n0.600886 0.972600 0.375602 O\n0.101577 0.464262 0.873330 O\n0.056782 0.355496 0.286876 O\n0.561539 0.846119 0.786758 O\n0.272000 0.857160 0.044279 O\n0.800297 0.337063 0.550276 O\n0.889995 0.041542 0.123103 O\n0.393591 0.530212 0.625401 O\n0.445453 0.645013 0.213526 O\n0.947153 0.133422 0.712646 O\n0.194422 0.663252 0.446688 O\n0.716885 0.140573 0.949257 O\n0.588989 0.511902 0.378392 O\n0.099177 0.005510 0.877534 O\n0.070661 0.825176 0.287197 O\n0.574000 0.311076 0.788006 O\n",
"nsites": 48,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 3.873273093143488,
"density_atomic": 0.10864390930665807,
"volume": 441.81031689972883,
"volume_molar": 5.543008161646612,
"formula_full": "Li14 Mn10 O24",
"formula_reduced": "Li7Mn5O12",
"formula_anonymous": "A5B7C12",
"energy": -339.58663187,
"energy_per_atom": -7.074721497291667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -306.41863187,
"band_gap": 0.6067,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 29.9044164,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:22.730000Z",
"spacegroup": 1
},
{
"id": "mp-601616",
"created_at": "2022-09-04T14:39:16.350950Z",
"structure_string": "Mn10 H16 S2 O24\n1.0\n7.338673 0.152667 -2.277088\n-1.467295 8.570285 -1.470894\n-0.527442 -0.267132 9.373356\nMn H S O\n10 16 2 24\ndirect\n0.051390 0.246848 0.631051 Mn\n0.701452 0.936750 0.773866 Mn\n0.004594 0.403517 0.309538 Mn\n0.007275 0.665035 0.028632 Mn\n0.313788 0.956073 0.882484 Mn\n0.948610 0.753152 0.368949 Mn\n0.992725 0.334965 0.971368 Mn\n0.298548 0.063250 0.226134 Mn\n0.686212 0.043927 0.117516 Mn\n0.995406 0.596483 0.690462 Mn\n0.362428 0.069119 0.784901 H\n0.703954 0.641822 0.763945 H\n0.402931 0.579215 0.937954 H\n0.715358 0.242195 0.343535 H\n0.530790 0.359594 0.072360 H\n0.284642 0.757805 0.656465 H\n0.062826 0.905426 0.967920 H\n0.469210 0.640406 0.927640 H\n0.786846 0.850160 0.392465 H\n0.213154 0.149839 0.607535 H\n0.937174 0.094574 0.032080 H\n0.597069 0.420785 0.062046 H\n0.296046 0.358178 0.236055 H\n0.637572 0.930881 0.215099 H\n0.285960 0.428827 0.600356 H\n0.714040 0.571173 0.399644 H\n0.387948 0.731811 0.406955 S\n0.612052 0.268189 0.593045 S\n0.554385 0.898670 0.921695 O\n0.059739 0.028094 0.824787 O\n0.167642 0.854497 0.021210 O\n0.184598 0.789497 0.692351 O\n0.940261 0.971906 0.175213 O\n0.821501 0.716430 0.801316 O\n0.914741 0.806560 0.168877 O\n0.815402 0.210503 0.307649 O\n0.380976 0.875525 0.347579 O\n0.852614 0.578586 0.436234 O\n0.445615 0.101330 0.078305 O\n0.486387 0.770626 0.580379 O\n0.815407 0.339774 0.623267 O\n0.147386 0.421414 0.563766 O\n0.917050 0.490724 0.096843 O\n0.619024 0.124475 0.652421 O\n0.466209 0.612233 0.330037 O\n0.184593 0.660226 0.376733 O\n0.082950 0.509276 0.903157 O\n0.178499 0.283570 0.198684 O\n0.085259 0.193440 0.831123 O\n0.533791 0.387767 0.669963 O\n0.513613 0.229374 0.419621 O\n0.832358 0.145503 0.978790 O\n",
"nsites": 52,
"nelements": 4,
"elements": [
"Mn",
"H",
"S",
"O"
],
"chemical_system": "H-Mn-O-S",
"density": 2.913647763366756,
"density_atomic": 0.09001498200185108,
"volume": 577.68161303338,
"volume_molar": 6.690153823367048,
"formula_full": "Mn10 H16 S2 O24",
"formula_reduced": "Mn5H8SO12",
"formula_anonymous": "AB5C8D12",
"energy": -339.588235,
"energy_per_atom": -6.530542980769231,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -306.420235,
"band_gap": 0.9064,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 42.0050535,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:37.009000Z",
"spacegroup": 2
},
{
"id": "mp-694982",
"created_at": "2022-09-04T14:45:23.488890Z",
"structure_string": "Sr4 La4 Mg2 Ti6 O24\n1.0\n5.618704 0.000000 0.000000\n0.000000 5.603983 0.000000\n0.000000 0.021719 15.770340\nSr La Mg Ti O\n4 4 2 6 24\ndirect\n0.000955 0.996892 0.122543 Sr\n0.499045 0.496892 0.122543 Sr\n0.500955 0.503108 0.877457 Sr\n0.999045 0.003108 0.877457 Sr\n0.014888 0.982436 0.617359 La\n0.485112 0.482436 0.617359 La\n0.514888 0.517564 0.382641 La\n0.985112 0.017564 0.382641 La\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Ti\n0.509725 0.988044 0.749399 Ti\n0.500000 0.000000 0.000000 Ti\n0.490275 0.011956 0.250601 Ti\n0.990275 0.488044 0.749399 Ti\n0.009725 0.511956 0.250601 Ti\n0.052423 0.502175 0.875442 O\n0.081494 0.486021 0.368150 O\n0.243043 0.236452 0.232032 O\n0.239275 0.248266 0.729733 O\n0.246151 0.245987 0.012562 O\n0.231973 0.231897 0.523714 O\n0.256957 0.736452 0.232032 O\n0.253849 0.745987 0.012562 O\n0.260725 0.748266 0.729733 O\n0.268027 0.731897 0.523714 O\n0.447577 0.002175 0.875442 O\n0.418506 0.986021 0.368150 O\n0.581494 0.013979 0.631850 O\n0.552423 0.997825 0.124558 O\n0.739275 0.251734 0.270267 O\n0.743043 0.263548 0.767968 O\n0.746151 0.254013 0.987438 O\n0.731973 0.268103 0.476286 O\n0.753849 0.754013 0.987438 O\n0.768027 0.768103 0.476286 O\n0.756957 0.763548 0.767968 O\n0.760725 0.751734 0.270267 O\n0.947577 0.497825 0.124558 O\n0.918506 0.513979 0.631850 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Sr",
"La",
"Mg",
"Ti",
"O"
],
"chemical_system": "La-Mg-O-Sr-Ti",
"density": 5.437118148726574,
"density_atomic": 0.08055378880297656,
"volume": 496.562614799342,
"volume_molar": 7.475924906188242,
"formula_full": "Sr4 La4 Mg2 Ti6 O24",
"formula_reduced": "Sr2La2MgTi3O12",
"formula_anonymous": "AB2C2D3E12",
"energy": -339.5883109,
"energy_per_atom": -8.489707772500001,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -323.1003109,
"band_gap": 1.8857,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012065,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:06.462000Z",
"spacegroup": 14
},
{
"id": "mp-22100",
"created_at": "2022-09-04T14:45:15.845228Z",
"structure_string": "Mn4 Nb8 O24\n1.0\n5.148277 0.000000 0.000000\n0.000000 5.896774 0.000000\n0.000000 0.000000 14.651016\nMn Nb O\n4 8 24\ndirect\n0.750000 0.676439 0.000000 Mn\n0.250000 0.823561 0.500000 Mn\n0.250000 0.323561 0.000000 Mn\n0.750000 0.176439 0.500000 Mn\n0.240967 0.818576 0.837797 Nb\n0.740967 0.681424 0.662203 Nb\n0.259033 0.818576 0.162203 Nb\n0.759033 0.681424 0.337797 Nb\n0.240967 0.318576 0.662203 Nb\n0.740967 0.181424 0.837797 Nb\n0.259033 0.318576 0.337797 Nb\n0.759033 0.181424 0.162203 Nb\n0.912408 0.371143 0.744620 O\n0.412408 0.128857 0.755380 O\n0.587592 0.371143 0.255380 O\n0.087592 0.128857 0.244620 O\n0.087592 0.628857 0.255380 O\n0.587592 0.871143 0.244620 O\n0.412408 0.628857 0.744620 O\n0.912408 0.871143 0.755380 O\n0.904448 0.381977 0.081229 O\n0.404448 0.118023 0.418771 O\n0.595552 0.381977 0.918771 O\n0.095552 0.118023 0.581229 O\n0.939112 0.899866 0.099036 O\n0.439112 0.600134 0.400964 O\n0.560888 0.899866 0.900964 O\n0.060888 0.600134 0.599036 O\n0.060888 0.100134 0.900964 O\n0.560888 0.399866 0.599036 O\n0.439112 0.100134 0.099036 O\n0.939112 0.399866 0.400964 O\n0.904448 0.881977 0.418771 O\n0.404448 0.618023 0.081229 O\n0.595552 0.881977 0.581229 O\n0.095552 0.618023 0.918771 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Mn",
"Nb",
"O"
],
"chemical_system": "Mn-Nb-O",
"density": 5.028853185173579,
"density_atomic": 0.08093909963606015,
"volume": 444.77885424810444,
"volume_molar": 7.440335742648913,
"formula_full": "Mn4 Nb8 O24",
"formula_reduced": "MnNb2O6",
"formula_anonymous": "AB2C6",
"energy": -339.5898196,
"energy_per_atom": -9.433050544444445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -316.4298196,
"band_gap": 2.1096,
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"is_magnetic": true,
"total_magnetization": 20.0019821,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:59.191000Z",
"spacegroup": 60
},
{
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