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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_per_atom&page=10216",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_per_atom&page=10214",
"results": [
{
"id": "mp-1272866",
"created_at": "2022-09-04T14:40:56.582506Z",
"structure_string": "La4 Mg2 Fe2 O12\n1.0\n4.841469 0.104317 2.672536\n-3.157964 4.600017 5.471309\n-1.688669 -4.694181 2.786321\nLa Mg Fe O\n4 2 2 12\ndirect\n0.501367 0.751385 0.993471 La\n0.000872 0.251855 0.493351 La\n0.498789 0.248675 0.006487 La\n0.999029 0.748129 0.506716 La\n0.000080 0.500011 0.000032 Mg\n0.499933 0.000000 0.499973 Mg\n0.499954 0.499990 0.500051 Fe\n0.000009 0.999921 0.999948 Fe\n0.790247 0.490638 0.689406 O\n0.291378 0.990876 0.188304 O\n0.972589 0.239695 0.058669 O\n0.472719 0.739991 0.558823 O\n0.706430 0.539907 0.204120 O\n0.205201 0.039456 0.702849 O\n0.209697 0.509338 0.310703 O\n0.708668 0.009152 0.811565 O\n0.293682 0.460146 0.796019 O\n0.794663 0.960497 0.297009 O\n0.027383 0.760330 0.941365 O\n0.527311 0.260009 0.441136 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"La",
"Mg",
"Fe",
"O"
],
"chemical_system": "Fe-La-Mg-O",
"density": 6.11042091977998,
"density_atomic": 0.081060072504787,
"volume": 246.73059598878228,
"volume_molar": 7.429231894215691,
"formula_full": "La4 Mg2 Fe2 O12",
"formula_reduced": "La2MgFeO6",
"formula_anonymous": "ABC2D6",
"energy": -159.35144013,
"energy_per_atom": -7.967572006499999,
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"is_stable": null,
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"energy_uncorrected": -146.59544013,
"band_gap": 0.5422000000000002,
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"is_magnetic": true,
"total_magnetization": 0.0002106,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:01.675000Z",
"spacegroup": 2
},
{
"id": "mp-1521902",
"created_at": "2022-09-04T14:48:22.518158Z",
"structure_string": "K1 Eu1 Nb1 Bi1 O6\n1.0\n0.000000 -4.266860 -4.266860\n4.266860 0.000000 -4.266860\n4.266860 -4.266860 -0.000000\nK Eu Nb Bi O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Eu\n0.500000 0.500000 0.500000 Nb\n-0.000000 -0.000000 -0.000000 Bi\n0.735853 0.264147 0.264147 O\n0.264147 0.735853 0.735853 O\n0.735853 0.264147 0.735853 O\n0.264147 0.735853 0.264147 O\n0.735853 0.735853 0.264147 O\n0.264147 0.264147 0.735853 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Eu",
"Nb",
"Bi",
"O"
],
"chemical_system": "Bi-Eu-K-Nb-O",
"density": 6.294612712158779,
"density_atomic": 0.0643642664434837,
"volume": 155.36571070503376,
"volume_molar": 9.356341791431522,
"formula_full": "K1 Eu1 Nb1 Bi1 O6",
"formula_reduced": "KEuNbBiO6",
"formula_anonymous": "ABCDE6",
"energy": -79.67578031,
"energy_per_atom": -7.9675780309999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -75.55378031,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.7135301,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:07.549000Z",
"spacegroup": 216
},
{
"id": "mp-704534",
"created_at": "2022-09-04T14:40:12.467871Z",
"structure_string": "K8 Zr6 Mn2 P12 O48\n1.0\n10.364981 0.000000 0.000000\n0.000000 10.376552 0.000000\n0.000000 0.006479 10.380959\nK Zr Mn P O\n8 6 2 12 48\ndirect\n0.436382 0.190045 0.561501 K\n0.700885 0.056075 0.209254 K\n0.200885 0.943925 0.790746 K\n0.936382 0.809955 0.438499 K\n0.568766 0.677752 0.928943 K\n0.299554 0.543239 0.308926 K\n0.799554 0.456761 0.691074 K\n0.068766 0.322248 0.071057 K\n0.084402 0.167826 0.415082 Zr\n0.856092 0.106510 0.853572 Zr\n0.356092 0.893490 0.146428 Zr\n0.584402 0.832174 0.584918 Zr\n0.913496 0.661214 0.086407 Zr\n0.413496 0.338786 0.913593 Zr\n0.148168 0.600586 0.644767 Mn\n0.648168 0.399414 0.355233 Mn\n0.374370 0.213375 0.230231 P\n0.768641 0.123025 0.536644 P\n0.538012 0.019898 0.873446 P\n0.038012 0.980102 0.126554 P\n0.268641 0.876975 0.463356 P\n0.874370 0.786625 0.769769 P\n0.624439 0.709672 0.268082 P\n0.231093 0.626978 0.959604 P\n0.460957 0.517153 0.622850 P\n0.960957 0.482847 0.377150 P\n0.731093 0.373022 0.040396 P\n0.124439 0.290328 0.731918 P\n0.147742 0.243579 0.591250 O\n0.242974 0.226289 0.302622 O\n0.701146 0.220877 0.452258 O\n0.026547 0.195157 0.797240 O\n0.768592 0.165809 0.681441 O\n0.493943 0.160446 0.851292 O\n0.911392 0.099174 0.495305 O\n0.416033 0.068414 0.229811 O\n0.020183 0.056966 0.252787 O\n0.952314 0.046826 0.023976 O\n0.680393 0.017406 0.919138 O\n0.195760 0.007765 0.475162 O\n0.695760 0.992235 0.524838 O\n0.180393 0.982594 0.080862 O\n0.452314 0.953174 0.976024 O\n0.520183 0.943034 0.747213 O\n0.916033 0.931586 0.770189 O\n0.411392 0.900826 0.504695 O\n0.993943 0.839554 0.148708 O\n0.268592 0.834191 0.318559 O\n0.526547 0.804843 0.202760 O\n0.201146 0.779123 0.547742 O\n0.742974 0.773711 0.697378 O\n0.647742 0.756421 0.408750 O\n0.850182 0.744803 0.911988 O\n0.752965 0.729189 0.192239 O\n0.296855 0.725294 0.053730 O\n0.973455 0.703975 0.701891 O\n0.238112 0.677277 0.822922 O\n0.505334 0.660569 0.648431 O\n0.090417 0.603401 0.006781 O\n0.573371 0.573089 0.260337 O\n0.974694 0.553411 0.242474 O\n0.054301 0.549428 0.468260 O\n0.321851 0.512575 0.576050 O\n0.806184 0.502117 0.020029 O\n0.306184 0.497883 0.979971 O\n0.821851 0.487425 0.423950 O\n0.554301 0.450572 0.531740 O\n0.474694 0.446589 0.757526 O\n0.073371 0.426911 0.739663 O\n0.590417 0.396599 0.993219 O\n0.005334 0.339431 0.351569 O\n0.738112 0.322723 0.177078 O\n0.473455 0.296025 0.298109 O\n0.796855 0.274706 0.946270 O\n0.252965 0.270811 0.807761 O\n0.350182 0.255197 0.088012 O\n",
"nsites": 76,
"nelements": 5,
"elements": [
"K",
"Zr",
"Mn",
"P",
"O"
],
"chemical_system": "K-Mn-O-P-Zr",
"density": 3.137639881446159,
"density_atomic": 0.06806981015601996,
"volume": 1116.5008367998028,
"volume_molar": 8.847006839297633,
"formula_full": "K8 Zr6 Mn2 P12 O48",
"formula_reduced": "K4Zr3Mn(PO4)6",
"formula_anonymous": "AB3C4D6E24",
"energy": -605.53702962,
"energy_per_atom": -7.967592495,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -569.22502962,
"band_gap": 2.8643,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9998578,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:46.852000Z",
"spacegroup": 4
},
{
"id": "mp-1076776",
"created_at": "2022-09-04T14:44:27.270581Z",
"structure_string": "Sr8 Ca24 Ti8 Mn24 O80\n1.0\n0.002194 0.008380 11.006738\n11.275250 0.017589 0.002109\n-5.614427 15.352403 -5.492833\nSr Ca Ti Mn O\n8 24 8 24 80\ndirect\n0.309774 0.561019 0.609390 Sr\n0.808856 0.062503 0.609864 Sr\n0.193584 0.437385 0.889054 Sr\n0.058563 0.297299 0.608431 Sr\n0.059289 0.798598 0.609829 Sr\n0.558457 0.299895 0.610035 Sr\n0.441062 0.198140 0.886225 Sr\n0.944120 0.201538 0.387196 Sr\n0.299330 0.070517 0.112323 Ca\n0.303931 0.061470 0.604804 Ca\n0.303455 0.564782 0.113701 Ca\n0.804738 0.067280 0.108827 Ca\n0.803296 0.568346 0.113535 Ca\n0.806212 0.563872 0.605465 Ca\n0.200043 0.434776 0.393212 Ca\n0.191572 0.932697 0.389822 Ca\n0.195666 0.935666 0.892522 Ca\n0.699189 0.435976 0.392386 Ca\n0.697424 0.436382 0.891916 Ca\n0.699185 0.931888 0.390325 Ca\n0.689383 0.932581 0.887535 Ca\n0.056005 0.290315 0.111502 Ca\n0.050957 0.799763 0.114037 Ca\n0.552870 0.293620 0.112342 Ca\n0.556341 0.794632 0.113900 Ca\n0.558105 0.790790 0.606669 Ca\n0.451290 0.209409 0.390763 Ca\n0.448539 0.704747 0.390378 Ca\n0.442923 0.707295 0.890678 Ca\n0.950747 0.211077 0.892429 Ca\n0.945712 0.707170 0.391558 Ca\n0.941715 0.700863 0.889370 Ca\n0.001061 0.997313 0.995507 Ti\n0.005181 0.502790 0.006494 Ti\n0.504329 0.000008 0.003967 Ti\n0.504139 0.996944 0.496689 Ti\n0.503865 0.502404 0.001715 Ti\n0.253917 0.752744 0.005514 Ti\n0.751576 0.250743 0.998940 Ti\n0.754312 0.750490 0.000927 Ti\n0.005414 0.996748 0.497624 Mn\n0.004269 0.500620 0.496912 Mn\n0.505888 0.501500 0.497497 Mn\n0.255574 0.251754 0.002737 Mn\n0.255125 0.245273 0.496453 Mn\n0.257277 0.749778 0.497331 Mn\n0.753185 0.250858 0.496806 Mn\n0.754463 0.747535 0.497008 Mn\n0.110220 0.095917 0.248293 Mn\n0.109381 0.091928 0.753365 Mn\n0.109583 0.591668 0.252085 Mn\n0.109531 0.602491 0.751312 Mn\n0.603038 0.093274 0.249777 Mn\n0.608453 0.092150 0.747675 Mn\n0.610379 0.591657 0.250011 Mn\n0.614686 0.601271 0.752692 Mn\n0.355652 0.402866 0.250182 Mn\n0.366787 0.407337 0.750990 Mn\n0.359476 0.908113 0.251399 Mn\n0.365466 0.903314 0.749243 Mn\n0.856254 0.404213 0.248084 Mn\n0.858617 0.407817 0.751603 Mn\n0.857113 0.904311 0.247786 Mn\n0.855057 0.902805 0.750326 Mn\n0.127093 0.115578 0.488588 O\n0.120335 0.114673 0.990231 O\n0.124785 0.622298 0.482743 O\n0.124016 0.625848 0.988336 O\n0.620006 0.118043 0.481848 O\n0.629565 0.120512 0.988500 O\n0.622214 0.619344 0.483026 O\n0.627849 0.621153 0.985543 O\n0.133155 0.387741 0.016770 O\n0.135824 0.373001 0.503784 O\n0.143141 0.882226 0.018648 O\n0.139868 0.879511 0.508888 O\n0.642416 0.380696 0.017935 O\n0.634392 0.382204 0.507092 O\n0.641906 0.879127 0.017490 O\n0.634238 0.876133 0.510792 O\n0.370847 0.110602 0.480804 O\n0.377085 0.110364 0.990858 O\n0.373964 0.618210 0.483377 O\n0.379564 0.620471 0.988030 O\n0.871191 0.116175 0.488105 O\n0.875046 0.115605 0.987289 O\n0.868272 0.618666 0.483787 O\n0.874859 0.616007 0.985677 O\n0.393616 0.393161 0.019092 O\n0.382227 0.376432 0.501791 O\n0.391844 0.883033 0.016475 O\n0.388535 0.883613 0.512801 O\n0.889084 0.387402 0.017333 O\n0.879006 0.382580 0.508883 O\n0.892288 0.886150 0.018508 O\n0.883074 0.876860 0.506369 O\n0.083112 0.093021 0.132609 O\n0.075211 0.080634 0.632960 O\n0.081012 0.601143 0.129720 O\n0.073239 0.585179 0.631215 O\n0.586850 0.095892 0.127729 O\n0.578060 0.088402 0.624863 O\n0.588560 0.598152 0.128727 O\n0.576694 0.589397 0.627166 O\n0.444189 0.408571 0.364777 O\n0.459021 0.410477 0.876090 O\n0.453883 0.900028 0.370027 O\n0.461282 0.907793 0.875283 O\n0.942879 0.413963 0.363302 O\n0.948245 0.409390 0.871794 O\n0.951223 0.905925 0.368284 O\n0.955090 0.899361 0.874606 O\n0.327703 0.289734 0.132990 O\n0.326407 0.285645 0.626786 O\n0.333565 0.778439 0.128150 O\n0.327220 0.787792 0.626561 O\n0.834844 0.286542 0.130658 O\n0.820263 0.296955 0.631569 O\n0.834745 0.778153 0.127190 O\n0.823072 0.783271 0.627409 O\n0.191071 0.205929 0.363786 O\n0.194416 0.208963 0.873157 O\n0.205995 0.718428 0.369015 O\n0.202257 0.717647 0.873282 O\n0.693568 0.217429 0.369067 O\n0.705184 0.219097 0.875217 O\n0.697753 0.715405 0.368824 O\n0.712720 0.723769 0.875810 O\n0.413524 0.081569 0.248019 O\n0.419051 0.072668 0.742810 O\n0.421311 0.564299 0.248157 O\n0.433415 0.581893 0.758786 O\n0.926026 0.070903 0.240522 O\n0.929426 0.077984 0.759820 O\n0.920151 0.569475 0.249136 O\n0.926092 0.576167 0.751472 O\n0.172623 0.415915 0.249043 O\n0.182878 0.440920 0.751131 O\n0.170154 0.929904 0.248986 O\n0.183779 0.932806 0.760295 O\n0.673279 0.416822 0.247833 O\n0.680335 0.432605 0.759137 O\n0.669935 0.922333 0.249023 O\n0.667784 0.918867 0.750848 O\n",
"nsites": 144,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Ti",
"Mn",
"O"
],
"chemical_system": "Ca-Mn-O-Sr-Ti",
"density": 4.044232505958648,
"density_atomic": 0.07551539573606536,
"volume": 1906.8959196518797,
"volume_molar": 7.974719196398103,
"formula_full": "Sr8 Ca24 Ti8 Mn24 O80",
"formula_reduced": "SrCa3TiMn3O10",
"formula_anonymous": "ABC3D3E10",
"energy": -1147.33796999,
"energy_per_atom": -7.967624791597221,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -1052.34596999,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:37.060000Z",
"spacegroup": 1
},
{
"id": "mp-864608",
"created_at": "2022-09-04T14:41:11.275045Z",
"structure_string": "Np1 Ga1 Rh2\n1.0\n0.000000 3.237051 3.237051\n3.237051 0.000000 3.237051\n3.237051 3.237051 0.000000\nNp Ga Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Np\n0.500000 0.500000 0.500000 Ga\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Np",
"Ga",
"Rh"
],
"chemical_system": "Ga-Np-Rh",
"density": 12.545649697508798,
"density_atomic": 0.05896324414002463,
"volume": 67.8388724762309,
"volume_molar": 10.213380976288805,
"formula_full": "Np1 Ga1 Rh2",
"formula_reduced": "NpGaRh2",
"formula_anonymous": "ABC2",
"energy": -31.87052489,
"energy_per_atom": -7.9676312225,
"energy_above_hull": null,
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"energy_uncorrected": -31.87052489,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:15.949000Z",
"spacegroup": 225
},
{
"id": "mp-759768",
"created_at": "2022-09-04T14:48:15.302335Z",
"structure_string": "Li3 Fe8 B8 O24\n1.0\n5.301141 0.000000 0.000000\n0.066757 9.073778 0.000000\n0.117431 0.087727 10.110532\nLi Fe B O\n3 8 8 24\ndirect\n0.655739 0.987240 0.841139 Li\n0.342256 0.000221 0.122712 Li\n0.155054 0.493312 0.840885 Li\n0.838590 0.828450 0.124217 Fe\n0.156173 0.838270 0.374020 Fe\n0.665279 0.654912 0.872747 Fe\n0.349107 0.670759 0.618943 Fe\n0.663769 0.334651 0.369076 Fe\n0.847253 0.168764 0.618942 Fe\n0.335861 0.340526 0.121517 Fe\n0.155942 0.156651 0.871533 Fe\n0.841005 0.831550 0.628684 B\n0.664865 0.663752 0.369849 B\n0.167281 0.830789 0.877252 B\n0.337252 0.671344 0.117645 B\n0.662721 0.328681 0.872597 B\n0.339353 0.330506 0.625117 B\n0.831734 0.164237 0.122136 B\n0.174137 0.173274 0.362114 B\n0.747299 0.971322 0.647178 O\n0.912337 0.831117 0.916054 O\n0.308129 0.956658 0.891188 O\n0.791103 0.785944 0.316349 O\n0.695212 0.711651 0.666677 O\n0.202072 0.799056 0.152262 O\n0.081806 0.810710 0.578895 O\n0.585663 0.689087 0.076205 O\n0.772905 0.527483 0.365351 O\n0.428165 0.685320 0.427405 O\n0.275445 0.701114 0.827906 O\n0.803433 0.452517 0.870548 O\n0.227757 0.536960 0.117856 O\n0.695689 0.287795 0.163794 O\n0.573405 0.302544 0.565091 O\n0.260486 0.470136 0.651132 O\n0.410457 0.327946 0.920305 O\n0.934737 0.194894 0.422290 O\n0.765964 0.195155 0.825641 O\n0.303281 0.302430 0.321643 O\n0.192706 0.211379 0.666021 O\n0.715080 0.030280 0.112243 O\n0.087224 0.179300 0.086546 O\n0.271678 0.039380 0.338891 O\n",
"nsites": 43,
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"elements": [
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"Fe",
"B",
"O"
],
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"density": 3.2029239540575625,
"density_atomic": 0.08841723759182252,
"volume": 486.33050716319775,
"volume_molar": 6.811048302369686,
"formula_full": "Li3 Fe8 B8 O24",
"formula_reduced": "Li3Fe8(BO3)8",
"formula_anonymous": "A3B8C8D24",
"energy": -342.60903023,
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"updated_at": "2021-11-28T01:40:08.026000Z",
"spacegroup": 1
},
{
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