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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=10124",
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"results": [
{
"id": "mp-1043948",
"created_at": "2022-09-04T14:42:19.583613Z",
"structure_string": "Ca2 La2 Fe2 Sn2 O12\n1.0\n-0.000209 5.592552 0.010816\n-0.000191 0.015505 7.978191\n5.724763 -0.000213 -0.000135\nCa La Fe Sn O\n2 2 2 2 12\ndirect\n0.513602 0.250435 0.549988 Ca\n0.013517 0.750504 0.950082 Ca\n0.988618 0.249696 0.043809 La\n0.488742 0.749641 0.456249 La\n0.499305 0.501137 0.999178 Fe\n0.999328 0.001030 0.500514 Fe\n0.999703 0.499070 0.501076 Sn\n0.499904 0.999162 0.998974 Sn\n0.598313 0.746755 0.029976 O\n0.098286 0.246796 0.470014 O\n0.200235 0.948999 0.206589 O\n0.699992 0.449087 0.293423 O\n0.204465 0.550529 0.202386 O\n0.704692 0.050429 0.297633 O\n0.909238 0.753030 0.531932 O\n0.409226 0.253090 0.968132 O\n0.296009 0.549935 0.711285 O\n0.796108 0.049853 0.788724 O\n0.290379 0.950373 0.705666 O\n0.790336 0.450446 0.794371 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Ca",
"La",
"Fe",
"Sn",
"O"
],
"chemical_system": "Ca-Fe-La-O-Sn",
"density": 5.844833437331257,
"density_atomic": 0.07829962042883856,
"volume": 255.42907986606014,
"volume_molar": 7.691149365753481,
"formula_full": "Ca2 La2 Fe2 Sn2 O12",
"formula_reduced": "CaLaFeSnO6",
"formula_anonymous": "ABCDE6",
"energy": -153.03785327,
"energy_per_atom": -7.6518926635,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -140.28185327,
"band_gap": 2.1986000000000008,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 8e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:42.523000Z",
"spacegroup": 7
},
{
"id": "mp-758520",
"created_at": "2022-09-04T14:42:20.139278Z",
"structure_string": "Li4 Cu4 P4 O16\n1.0\n5.294741 0.000000 0.000000\n0.000000 8.037783 0.000000\n0.000000 2.079534 8.224772\nLi Cu P O\n4 4 4 16\ndirect\n0.861989 0.036418 0.071387 Li\n0.326875 0.492344 0.287012 Li\n0.138011 0.036418 0.571387 Li\n0.673125 0.492344 0.787012 Li\n0.346658 0.121985 0.211408 Cu\n0.833357 0.635492 0.376712 Cu\n0.653342 0.121985 0.711408 Cu\n0.166643 0.635492 0.876712 Cu\n0.665687 0.752681 0.008295 P\n0.822940 0.260125 0.331311 P\n0.334313 0.752681 0.508295 P\n0.177060 0.260125 0.831311 P\n0.197110 0.131549 0.000973 O\n0.387310 0.698878 0.041523 O\n0.703952 0.177662 0.199872 O\n0.105192 0.295915 0.289728 O\n0.787157 0.784814 0.166167 O\n0.677033 0.426386 0.334002 O\n0.802890 0.131549 0.500973 O\n0.191403 0.614802 0.443768 O\n0.288461 0.932146 0.391643 O\n0.612690 0.698878 0.541523 O\n0.296048 0.177662 0.699872 O\n0.894808 0.295915 0.789728 O\n0.212843 0.784814 0.666167 O\n0.322967 0.426386 0.834002 O\n0.808597 0.614802 0.943768 O\n0.711539 0.932146 0.891643 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Cu",
"P",
"O"
],
"chemical_system": "Cu-Li-O-P",
"density": 3.139734634804937,
"density_atomic": 0.07999321755925332,
"volume": 350.02967569418723,
"volume_molar": 7.5283142043126645,
"formula_full": "Li4 Cu4 P4 O16",
"formula_reduced": "LiCuPO4",
"formula_anonymous": "ABCD4",
"energy": -185.11262723,
"energy_per_atom": -6.611165258214285,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -174.12062723,
"band_gap": 0.0081999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9997824,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:46.893000Z",
"spacegroup": 7
},
{
"id": "mp-758102",
"created_at": "2022-09-04T14:42:21.347907Z",
"structure_string": "Li6 Co4 Si4 O16\n1.0\n5.141689 0.000000 0.000000\n0.000000 6.489765 0.000000\n0.000000 0.097621 10.589228\nLi Co Si O\n6 4 4 16\ndirect\n0.427977 0.886724 0.158646 Li\n0.935187 0.376310 0.336411 Li\n0.528025 0.625896 0.421791 Li\n0.572023 0.886724 0.658646 Li\n0.064813 0.376310 0.836411 Li\n0.471975 0.625896 0.921791 Li\n0.423352 0.372227 0.161575 Co\n0.934851 0.888419 0.337014 Co\n0.576648 0.372227 0.661575 Co\n0.065149 0.888419 0.837014 Co\n0.933709 0.632171 0.093467 Si\n0.433852 0.135154 0.411566 Si\n0.066291 0.632171 0.593467 Si\n0.566148 0.135154 0.911566 Si\n0.492418 0.137530 0.059820 O\n0.612522 0.621384 0.095947 O\n0.037915 0.839482 0.168596 O\n0.056951 0.432107 0.164043 O\n0.556345 0.921384 0.344663 O\n0.542406 0.345077 0.338979 O\n0.114798 0.125668 0.386420 O\n0.962291 0.644797 0.442867 O\n0.507582 0.137530 0.559820 O\n0.387478 0.621384 0.595947 O\n0.962085 0.839482 0.668596 O\n0.943049 0.432107 0.664043 O\n0.443655 0.921384 0.844663 O\n0.457594 0.345077 0.838979 O\n0.885202 0.125668 0.886420 O\n0.037709 0.644797 0.942867 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Li",
"Co",
"Si",
"O"
],
"chemical_system": "Co-Li-O-Si",
"density": 3.034508293557649,
"density_atomic": 0.08490283266044774,
"volume": 353.3451012168125,
"volume_molar": 7.092979787946973,
"formula_full": "Li6 Co4 Si4 O16",
"formula_reduced": "Li3Co2(SiO4)2",
"formula_anonymous": "A2B2C3D8",
"energy": -212.9368956,
"energy_per_atom": -7.097896520000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -195.3928956,
"band_gap": 0.0402,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.0000076,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:44.383000Z",
"spacegroup": 7
},
{
"id": "mp-1359472",
"created_at": "2022-09-04T14:42:21.512332Z",
"structure_string": "Ca6 Mn4 Ga4 O20\n1.0\n5.418378 0.000000 0.000000\n0.000000 5.690623 0.000000\n0.000000 5.311245 14.077144\nCa Mn Ga O\n6 4 4 20\ndirect\n0.234381 0.073536 0.388615 Ca\n0.765619 0.073536 0.888615 Ca\n0.731929 0.928944 0.113571 Ca\n0.237518 0.372850 0.096838 Ca\n0.268071 0.928944 0.613571 Ca\n0.762482 0.372850 0.596838 Ca\n0.255007 0.509173 0.493700 Mn\n0.752128 0.999120 0.492880 Mn\n0.744993 0.509173 0.993700 Mn\n0.247872 0.999120 0.992880 Mn\n0.696682 0.342426 0.253188 Ga\n0.809571 0.670063 0.751626 Ga\n0.303318 0.342426 0.753188 Ga\n0.190429 0.670063 0.251626 Ga\n0.772675 0.303696 0.137088 O\n0.278327 0.932069 0.140229 O\n0.852582 0.631477 0.248748 O\n0.010926 0.241359 0.490030 O\n0.721673 0.932069 0.640229 O\n0.653417 0.374892 0.747779 O\n0.497716 0.727858 0.521398 O\n0.989074 0.241359 0.990030 O\n0.489358 0.241236 0.486265 O\n0.012384 0.739071 0.520872 O\n0.510642 0.241236 0.986265 O\n0.502284 0.727858 0.021398 O\n0.227325 0.303696 0.637088 O\n0.987616 0.739071 0.020872 O\n0.147418 0.631477 0.748748 O\n0.778464 0.069765 0.361149 O\n0.272662 0.706668 0.364335 O\n0.346583 0.374892 0.247779 O\n0.221536 0.069765 0.861149 O\n0.727338 0.706668 0.864335 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
"Ca",
"Mn",
"Ga",
"O"
],
"chemical_system": "Ca-Ga-Mn-O",
"density": 4.051748425577451,
"density_atomic": 0.07833128476538559,
"volume": 434.0539045393587,
"volume_molar": 7.688040325187122,
"formula_full": "Ca6 Mn4 Ga4 O20",
"formula_reduced": "Ca3Mn2(GaO5)2",
"formula_anonymous": "A2B2C3D10",
"energy": -243.52393614,
"energy_per_atom": -7.16246871,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -223.11193614,
"band_gap": 0.2241999999999999,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 12.000085,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:44.541000Z",
"spacegroup": 7
},
{
"id": "mp-850957",
"created_at": "2022-09-04T14:42:22.259236Z",
"structure_string": "Na12 Ti4 O14\n1.0\n8.587903 0.000000 0.000000\n0.000000 6.008099 0.000000\n0.000000 5.853304 9.058617\nNa Ti O\n12 4 14\ndirect\n0.575143 0.771908 0.407933 Na\n0.439722 0.098784 0.086305 Na\n0.724894 0.483816 0.821146 Na\n0.216540 0.912638 0.388698 Na\n0.073375 0.605846 0.816120 Na\n0.946808 0.277533 0.128703 Na\n0.424857 0.771908 0.907933 Na\n0.560278 0.098784 0.586305 Na\n0.783460 0.912638 0.888698 Na\n0.275106 0.483816 0.321146 Na\n0.053192 0.277533 0.628703 Na\n0.926625 0.605846 0.316120 Na\n0.101644 0.974083 0.001821 Ti\n0.406554 0.401163 0.718576 Ti\n0.898356 0.974083 0.501821 Ti\n0.593446 0.401163 0.218576 Ti\n0.339951 0.484585 0.537877 O\n0.277644 0.156783 0.881226 O\n0.939332 0.201572 0.921454 O\n0.130270 0.898871 0.187516 O\n0.931102 0.678027 0.502023 O\n0.437885 0.695155 0.722637 O\n0.415623 0.214697 0.260047 O\n0.660049 0.484585 0.037877 O\n0.722356 0.156783 0.381226 O\n0.869730 0.898871 0.687516 O\n0.060668 0.201572 0.421454 O\n0.068898 0.678027 0.002023 O\n0.584377 0.214697 0.760047 O\n0.562115 0.695155 0.222637 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Na",
"Ti",
"O"
],
"chemical_system": "Na-O-Ti",
"density": 2.456137543151133,
"density_atomic": 0.06418523653712004,
"volume": 467.39720251167415,
"volume_molar": 9.382439147851757,
"formula_full": "Na12 Ti4 O14",
"formula_reduced": "Na6Ti2O7",
"formula_anonymous": "A2B6C7",
"energy": -192.33920161,
"energy_per_atom": -6.411306720333333,
"energy_above_hull": null,
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"energy_uncorrected": -182.72120161,
"band_gap": 3.0689,
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"total_magnetization": 0.0005643,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:48.630000Z",
"spacegroup": 7
},
{
"id": "mp-759625",
"created_at": "2022-09-04T14:42:22.697855Z",
"structure_string": "Li6 Fe4 B4 O16\n1.0\n5.196651 0.000000 0.000000\n0.000000 6.637692 0.000000\n0.000000 1.368031 10.857887\nLi Fe B O\n6 4 4 16\ndirect\n0.901967 0.891359 0.786751 Li\n0.098033 0.891359 0.286751 Li\n0.588545 0.208591 0.931274 Li\n0.411455 0.208591 0.431274 Li\n0.397259 0.096069 0.709271 Li\n0.602741 0.096069 0.209271 Li\n0.097134 0.487059 0.844721 Fe\n0.585503 0.501892 0.653095 Fe\n0.902866 0.487059 0.344721 Fe\n0.414497 0.501892 0.153095 Fe\n0.425481 0.804538 0.928830 B\n0.574519 0.804538 0.428830 B\n0.917906 0.205720 0.568516 B\n0.082094 0.205720 0.068516 B\n0.560051 0.950745 0.859082 O\n0.439949 0.950745 0.359082 O\n0.183340 0.742700 0.894581 O\n0.816660 0.742700 0.394581 O\n0.473542 0.712719 0.539708 O\n0.526458 0.712719 0.039708 O\n0.865791 0.603136 0.726154 O\n0.134209 0.603136 0.226154 O\n0.401314 0.377539 0.788064 O\n0.598686 0.377539 0.288064 O\n0.951136 0.285899 0.961039 O\n0.048864 0.285899 0.461039 O\n0.651579 0.257628 0.576775 O\n0.348421 0.257628 0.076775 O\n0.040496 0.091271 0.659778 O\n0.959504 0.091271 0.159778 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Li",
"Fe",
"B",
"O"
],
"chemical_system": "B-Fe-Li-O",
"density": 2.5017430650339616,
"density_atomic": 0.0801005115095519,
"volume": 374.52944350327317,
"volume_molar": 7.518230091803929,
"formula_full": "Li6 Fe4 B4 O16",
"formula_reduced": "Li3Fe2(BO4)2",
"formula_anonymous": "A2B2C3D8",
"energy": -216.04458384,
"energy_per_atom": -7.201486128,
"energy_above_hull": null,
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"energy_uncorrected": -196.02858384,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:45.504000Z",
"spacegroup": 7
},
{
"id": "mp-1227602",
"created_at": "2022-09-04T14:42:23.835228Z",
"structure_string": "C2 S2 N4\n1.0\n5.385053 0.000000 0.000000\n0.000000 8.375562 0.550034\n0.000000 0.498237 7.011607\nC S N\n2 2 4\ndirect\n0.096005 0.563537 0.325889 C\n0.903995 0.063537 0.325889 C\n0.914938 0.510328 0.171109 S\n0.085062 0.010328 0.171109 S\n0.238489 0.609631 0.443892 N\n0.376013 0.655104 0.559110 N\n0.623987 0.155104 0.559110 N\n0.761511 0.109631 0.443892 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"C",
"S",
"N"
],
"chemical_system": "C-N-S",
"density": 0.7606039601817336,
"density_atomic": 0.025415571077517934,
"volume": 314.7676664671378,
"volume_molar": 23.69468992702295,
"formula_full": "C2 S2 N4",
"formula_reduced": "CSN2",
"formula_anonymous": "ABC2",
"energy": -55.15067995,
"energy_per_atom": -6.89383499375,
"energy_above_hull": null,
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"energy_uncorrected": -52.70067995,
"band_gap": 1.0851999999999995,
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"updated_at": "2021-11-28T01:35:47.835000Z",
"spacegroup": 7
},
{
"id": "mp-31312",
"created_at": "2022-09-04T14:42:24.749088Z",
"structure_string": "Ga18 Rh4\n1.0\n6.461527 0.000000 0.000000\n0.000000 6.501609 0.000000\n0.000000 0.477642 8.904390\nGa Rh\n18 4\ndirect\n0.761304 0.967011 0.530853 Ga\n0.238696 0.967011 0.030853 Ga\n0.634523 0.198640 0.956413 Ga\n0.365477 0.198640 0.456413 Ga\n0.760731 0.600882 0.767661 Ga\n0.239269 0.600882 0.267661 Ga\n0.740073 0.400154 0.226027 Ga\n0.259927 0.400154 0.726027 Ga\n0.552652 0.598114 0.491813 Ga\n0.447348 0.598114 0.991813 Ga\n0.945524 0.386642 0.501975 Ga\n0.054476 0.386642 0.001975 Ga\n0.452278 0.909292 0.732801 Ga\n0.547722 0.909292 0.232801 Ga\n0.027851 0.106209 0.283487 Ga\n0.972149 0.106209 0.783487 Ga\n0.156724 0.781936 0.539168 Ga\n0.843276 0.781936 0.039168 Ga\n0.623262 0.260801 0.668713 Rh\n0.376738 0.260801 0.168713 Rh\n0.879195 0.740408 0.331599 Rh\n0.120805 0.740408 0.831599 Rh\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Ga",
"Rh"
],
"chemical_system": "Ga-Rh",
"density": 7.3982613898814265,
"density_atomic": 0.05881153249178521,
"volume": 374.07629197679825,
"volume_molar": 10.239727660286988,
"formula_full": "Ga18 Rh4",
"formula_reduced": "Ga9Rh2",
"formula_anonymous": "A2B9",
"energy": -91.55590657,
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"updated_at": "2021-11-28T01:35:45.325000Z",
"spacegroup": 7
},
{
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