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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=elements&page=10230",
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"results": [
{
"id": "mp-1111790",
"created_at": "2022-09-04T14:46:22.160886Z",
"structure_string": "Rb2 Sb1 Au1 I6\n1.0\n0.000000 6.007046 6.007046\n6.007046 0.000000 6.007046\n6.007046 6.007046 0.000000\nRb Sb Au I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Au\n0.747038 0.252962 0.252962 I\n0.252962 0.252962 0.747038 I\n0.252962 0.747038 0.747038 I\n0.252962 0.747038 0.252962 I\n0.747038 0.252962 0.747038 I\n0.747038 0.747038 0.252962 I\n",
"nsites": 10,
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"elements": [
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"I"
],
"chemical_system": "Au-I-Rb-Sb",
"density": 4.792084094157422,
"density_atomic": 0.023066788383944447,
"volume": 433.52372395978904,
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"formula_full": "Rb2 Sb1 Au1 I6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "mp-558739",
"created_at": "2022-09-04T14:48:10.515087Z",
"structure_string": "Rb8 Sb16 Au24 S40\n1.0\n7.158204 0.000000 0.000000\n0.000000 12.796827 0.000000\n0.000000 0.000000 26.644982\nRb Sb Au S\n8 16 24 40\ndirect\n0.000000 0.322210 0.983468 Rb\n0.000000 0.677790 0.016532 Rb\n0.500000 0.838583 0.930719 Rb\n0.500000 0.822210 0.516532 Rb\n0.000000 0.338583 0.569281 Rb\n0.000000 0.661417 0.430719 Rb\n0.500000 0.161417 0.069281 Rb\n0.500000 0.177790 0.483468 Rb\n0.000000 0.967164 0.625377 Sb\n0.500000 0.932952 0.345878 Sb\n0.000000 0.952407 0.116344 Sb\n0.000000 0.432952 0.154122 Sb\n0.000000 0.032836 0.374623 Sb\n0.000000 0.047593 0.883656 Sb\n0.000000 0.567048 0.845878 Sb\n0.500000 0.182042 0.895544 Sb\n0.500000 0.817958 0.104456 Sb\n0.500000 0.067048 0.654122 Sb\n0.500000 0.452407 0.383656 Sb\n0.500000 0.547593 0.616344 Sb\n0.500000 0.532836 0.125377 Sb\n0.000000 0.682042 0.604456 Sb\n0.000000 0.317958 0.395544 Sb\n0.500000 0.467164 0.874623 Sb\n0.000000 0.193629 0.180884 Au\n0.750861 0.014185 0.766618 Au\n0.253462 0.185698 0.306197 Au\n0.246538 0.685698 0.193803 Au\n0.249139 0.014185 0.766618 Au\n0.750861 0.985815 0.233382 Au\n0.500000 0.693629 0.319116 Au\n0.249139 0.985815 0.233382 Au\n0.746538 0.185698 0.306197 Au\n0.500000 0.231370 0.212769 Au\n0.253462 0.814302 0.693803 Au\n0.500000 0.768630 0.787231 Au\n0.250861 0.514185 0.733382 Au\n0.250861 0.485815 0.266618 Au\n0.000000 0.268630 0.712769 Au\n0.500000 0.306371 0.680884 Au\n0.000000 0.731370 0.287231 Au\n0.246538 0.314302 0.806197 Au\n0.746538 0.814302 0.693803 Au\n0.000000 0.806371 0.819116 Au\n0.749139 0.485815 0.266618 Au\n0.753462 0.685698 0.193803 Au\n0.749139 0.514185 0.733382 Au\n0.753462 0.314302 0.806197 Au\n0.250474 0.085565 0.589184 S\n0.000000 0.913578 0.278775 S\n0.000000 0.139365 0.097213 S\n0.249853 0.593790 0.553477 S\n0.749853 0.906210 0.053477 S\n0.000000 0.086422 0.721225 S\n0.500000 0.758736 0.237165 S\n0.500000 0.586422 0.778775 S\n0.750474 0.414435 0.089184 S\n0.249526 0.585565 0.910816 S\n0.500000 0.661983 0.049585 S\n0.500000 0.360635 0.597213 S\n0.000000 0.258736 0.262835 S\n0.000000 0.741264 0.737165 S\n0.000000 0.860635 0.902787 S\n0.749526 0.914435 0.410816 S\n0.249526 0.414435 0.089184 S\n0.249853 0.406210 0.446523 S\n0.500000 0.134960 0.358205 S\n0.749526 0.085565 0.589184 S\n0.250147 0.906210 0.053477 S\n0.500000 0.944711 0.812387 S\n0.750147 0.406210 0.446523 S\n0.000000 0.161983 0.450415 S\n0.750474 0.585565 0.910816 S\n0.500000 0.865040 0.641795 S\n0.000000 0.634960 0.141795 S\n0.750147 0.593790 0.553477 S\n0.250147 0.093790 0.946523 S\n0.500000 0.055289 0.187613 S\n0.749853 0.093790 0.946523 S\n0.500000 0.241264 0.762835 S\n0.500000 0.413578 0.221225 S\n0.000000 0.838017 0.549585 S\n0.250474 0.914435 0.410816 S\n0.000000 0.444711 0.687613 S\n0.500000 0.639365 0.402787 S\n0.000000 0.365040 0.858205 S\n0.500000 0.338017 0.950415 S\n0.000000 0.555289 0.312387 S\n",
"nsites": 88,
"nelements": 4,
"elements": [
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"Au",
"S"
],
"chemical_system": "Au-Rb-S-Sb",
"density": 5.8793116895723365,
"density_atomic": 0.036054615720746294,
"volume": 2440.7415871961066,
"volume_molar": 16.702828860091778,
"formula_full": "Rb8 Sb16 Au24 S40",
"formula_reduced": "RbSb2Au3S5",
"formula_anonymous": "AB2C3D5",
"energy": -371.43661062,
"energy_per_atom": -4.220870575227273,
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"energy_uncorrected": -351.31661062,
"band_gap": 0.8294999999999999,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0283699,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:23.892000Z",
"spacegroup": 58
},
{
"id": "mp-556894",
"created_at": "2022-09-04T14:40:33.608248Z",
"structure_string": "Rb8 Sb4 Au4 S16\n1.0\n7.030851 0.000000 0.000000\n0.000000 7.400935 0.000000\n0.000000 0.000000 20.515612\nRb Sb Au S\n8 4 4 16\ndirect\n0.295928 0.750000 0.987854 Rb\n0.900300 0.250000 0.329108 Rb\n0.704072 0.250000 0.012146 Rb\n0.295928 0.250000 0.512146 Rb\n0.099700 0.750000 0.670892 Rb\n0.099700 0.250000 0.829108 Rb\n0.704072 0.750000 0.487854 Rb\n0.900300 0.750000 0.170892 Rb\n0.792101 0.750000 0.889049 Sb\n0.792101 0.250000 0.610951 Sb\n0.207899 0.250000 0.110951 Sb\n0.207899 0.750000 0.389049 Sb\n0.609714 0.000000 0.750000 Au\n0.390286 0.000000 0.250000 Au\n0.609714 0.500000 0.750000 Au\n0.390286 0.500000 0.250000 Au\n0.611178 0.516769 0.637506 S\n0.798051 0.250000 0.496941 S\n0.388822 0.016769 0.362494 S\n0.089807 0.250000 0.660947 S\n0.611178 0.983231 0.637506 S\n0.611178 0.483231 0.862494 S\n0.201949 0.250000 0.996941 S\n0.910193 0.250000 0.160947 S\n0.201949 0.750000 0.503059 S\n0.388822 0.483231 0.362494 S\n0.611178 0.016769 0.862494 S\n0.388822 0.516769 0.137506 S\n0.910193 0.750000 0.339053 S\n0.798051 0.750000 0.003059 S\n0.089807 0.750000 0.839053 S\n0.388822 0.983231 0.137506 S\n",
"nsites": 32,
"nelements": 4,
"elements": [
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"Sb",
"Au",
"S"
],
"chemical_system": "Au-Rb-S-Sb",
"density": 3.8447128051445607,
"density_atomic": 0.02997581619682115,
"volume": 1067.5272289464301,
"volume_molar": 20.089997618275465,
"formula_full": "Rb8 Sb4 Au4 S16",
"formula_reduced": "Rb2SbAuS4",
"formula_anonymous": "ABC2D4",
"energy": -132.50771563,
"energy_per_atom": -4.1408661134375,
"energy_above_hull": null,
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"energy_uncorrected": -124.45971563,
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"updated_at": "2021-11-28T01:35:03.159000Z",
"spacegroup": 57
},
{
"id": "mp-555234",
"created_at": "2022-09-04T14:40:38.158257Z",
"structure_string": "Rb2 Sb2 Br2 F6\n1.0\n4.565216 0.000000 0.000000\n-1.843272 7.659137 0.000000\n-1.440571 -3.625808 8.223027\nRb Sb Br F\n2 2 2 6\ndirect\n0.988143 0.312817 0.652933 Rb\n0.011857 0.687183 0.347067 Rb\n0.319339 0.159843 0.208960 Sb\n0.680661 0.840157 0.791040 Sb\n0.436561 0.772507 0.069028 Br\n0.563439 0.227493 0.930972 Br\n0.605505 0.559303 0.683926 F\n0.699375 0.879424 0.585270 F\n0.300625 0.120576 0.414730 F\n0.394495 0.440697 0.316074 F\n0.222147 0.764546 0.699633 F\n0.777853 0.235454 0.300367 F\n",
"nsites": 12,
"nelements": 4,
"elements": [
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"Sb",
"Br",
"F"
],
"chemical_system": "Br-F-Rb-Sb",
"density": 3.974888666032853,
"density_atomic": 0.041735763353666216,
"volume": 287.52319439596107,
"volume_molar": 14.429209570144339,
"formula_full": "Rb2 Sb2 Br2 F6",
"formula_reduced": "RbSbBrF3",
"formula_anonymous": "ABCD3",
"energy": -55.1122997,
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"updated_at": "2021-11-28T01:35:05.264000Z",
"spacegroup": 2
},
{
"id": "mp-554605",
"created_at": "2022-09-04T14:46:35.239860Z",
"structure_string": "Rb6 Sb3 Cl9 F6\n1.0\n7.637213 0.000000 0.000000\n3.742026 6.665367 0.000000\n2.578685 0.010839 13.156024\nRb Sb Cl F\n6 3 9 6\ndirect\n0.305693 0.331652 0.089492 Rb\n0.435223 0.337480 0.693003 Rb\n0.101057 0.000134 0.683292 Rb\n0.694307 0.668348 0.910508 Rb\n0.564777 0.662520 0.306997 Rb\n0.898943 0.999866 0.316708 Rb\n0.200397 0.334789 0.398045 Sb\n0.799603 0.665211 0.601955 Sb\n0.000000 0.000000 0.000000 Sb\n0.284715 0.785749 0.116458 Cl\n0.185844 0.682015 0.498310 Cl\n0.814156 0.317985 0.501690 Cl\n0.854293 0.324837 0.115745 Cl\n0.258398 0.105803 0.882436 Cl\n0.715285 0.214251 0.883542 Cl\n0.500000 0.000000 0.500000 Cl\n0.741602 0.894197 0.117564 Cl\n0.145707 0.675163 0.884255 Cl\n0.562914 0.662780 0.695078 F\n0.769217 0.873745 0.693333 F\n0.017480 0.544651 0.308519 F\n0.982520 0.455349 0.691481 F\n0.230783 0.126255 0.306667 F\n0.437086 0.337220 0.304922 F\n",
"nsites": 24,
"nelements": 4,
"elements": [
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"Cl",
"F"
],
"chemical_system": "Cl-F-Rb-Sb",
"density": 3.2510170494434982,
"density_atomic": 0.035836667275256064,
"volume": 669.7051323344217,
"volume_molar": 16.804410727551314,
"formula_full": "Rb6 Sb3 Cl9 F6",
"formula_reduced": "Rb2SbCl3F2",
"formula_anonymous": "AB2C2D3",
"energy": -101.42811444,
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"updated_at": "2021-11-28T01:37:43.114000Z",
"spacegroup": 2
},
{
"id": "mp-1209287",
"created_at": "2022-09-04T14:45:17.435634Z",
"structure_string": "Rb8 Sb8 Cl8 F24\n1.0\n8.238391 0.000000 0.000000\n0.000000 8.530666 0.000000\n0.000000 0.000000 15.415517\nRb Sb Cl F\n8 8 8 24\ndirect\n0.181541 0.192472 0.442241 Rb\n0.818459 0.807528 0.557759 Rb\n0.318459 0.807528 0.942241 Rb\n0.818459 0.692472 0.057759 Rb\n0.681541 0.192472 0.057759 Rb\n0.181541 0.307528 0.942241 Rb\n0.681541 0.307528 0.557759 Rb\n0.318459 0.692472 0.442241 Rb\n0.129024 0.003567 0.175726 Sb\n0.870976 0.996433 0.824274 Sb\n0.370976 0.996433 0.675726 Sb\n0.870976 0.503567 0.324274 Sb\n0.629024 0.003567 0.324274 Sb\n0.129024 0.496433 0.675726 Sb\n0.629024 0.496433 0.824274 Sb\n0.370976 0.503567 0.175726 Sb\n0.018344 0.378114 0.149736 Cl\n0.981656 0.621886 0.850264 Cl\n0.481656 0.621886 0.649736 Cl\n0.981656 0.878114 0.350264 Cl\n0.518344 0.378114 0.350264 Cl\n0.018344 0.121886 0.649736 Cl\n0.518344 0.121886 0.850264 Cl\n0.481656 0.878114 0.149736 Cl\n0.157883 0.042510 0.049970 F\n0.842117 0.957490 0.950030 F\n0.342117 0.957490 0.549970 F\n0.842117 0.542510 0.450030 F\n0.657883 0.042510 0.450030 F\n0.157883 0.457490 0.549970 F\n0.657883 0.457490 0.950030 F\n0.342117 0.542510 0.049970 F\n0.391203 0.003033 0.345623 F\n0.608797 0.996967 0.654377 F\n0.108797 0.996967 0.845623 F\n0.608797 0.503033 0.154377 F\n0.891203 0.003033 0.154377 F\n0.391203 0.496967 0.845623 F\n0.891203 0.496967 0.654377 F\n0.108797 0.503033 0.345623 F\n0.387028 0.278945 0.146412 F\n0.612972 0.721055 0.853588 F\n0.112972 0.721055 0.646412 F\n0.612972 0.778945 0.353588 F\n0.887028 0.278945 0.353588 F\n0.387028 0.221055 0.646412 F\n0.887028 0.221055 0.853588 F\n0.112972 0.778945 0.146412 F\n",
"nsites": 48,
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"elements": [
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"F"
],
"chemical_system": "Cl-F-Rb-Sb",
"density": 3.674579337357501,
"density_atomic": 0.04430551656211386,
"volume": 1083.3865334287816,
"volume_molar": 13.592304587076184,
"formula_full": "Rb8 Sb8 Cl8 F24",
"formula_reduced": "RbSbClF3",
"formula_anonymous": "ABCD3",
"energy": -225.05106623,
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"band_gap": 4.429799999999999,
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"updated_at": "2021-11-28T01:36:54.136000Z",
"spacegroup": 61
},
{
"id": "mp-1219606",
"created_at": "2022-09-04T14:43:19.486895Z",
"structure_string": "Rb2 Sb2 Mo2 O12\n1.0\n-3.631219 3.799724 5.146456\n3.631219 -3.799724 5.146456\n3.631219 3.799724 -5.146456\nRb Sb Mo O\n2 2 2 12\ndirect\n0.103395 0.888152 0.715243 Rb\n0.827092 0.111848 0.215243 Rb\n0.503652 0.000000 0.503652 Sb\n0.503652 0.500000 0.003652 Sb\n0.461530 0.489737 0.471793 Mo\n0.982056 0.510263 0.971793 Mo\n0.817782 0.567109 0.750673 O\n0.426941 0.172187 0.754754 O\n0.440182 0.189446 0.374983 O\n0.821852 0.566727 0.131041 O\n0.821852 0.190811 0.755125 O\n0.440182 0.565198 0.750736 O\n0.183564 0.432891 0.250673 O\n0.582567 0.827813 0.254754 O\n0.564314 0.809189 0.631041 O\n0.185538 0.434802 0.874983 O\n0.185538 0.810554 0.250736 O\n0.564314 0.433273 0.255125 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
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"Mo",
"O"
],
"chemical_system": "Mo-O-Rb-Sb",
"density": 4.667216285725268,
"density_atomic": 0.06337234174744001,
"volume": 284.03558245860665,
"volume_molar": 9.50279032452398,
"formula_full": "Rb2 Sb2 Mo2 O12",
"formula_reduced": "RbSbMoO6",
"formula_anonymous": "ABCD6",
"energy": -128.00346405,
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"updated_at": "2021-11-28T01:36:13.424000Z",
"spacegroup": 46
},
{
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},
{
"id": "mp-1209255",
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},
{
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{
"id": "mp-1197769",
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"structure_string": "Rb4 Sb16 S28 O4\n1.0\n26.823754 0.000000 0.000000\n0.000000 7.520524 0.000000\n0.000000 6.300695 7.758827\nRb Sb S O\n4 16 28 4\ndirect\n0.567011 0.689175 0.349038 Rb\n0.932989 0.689175 0.849038 Rb\n0.432989 0.310825 0.650962 Rb\n0.067011 0.310825 0.150962 Rb\n0.678833 0.197024 0.402713 Sb\n0.821167 0.197024 0.902713 Sb\n0.321167 0.802976 0.597287 Sb\n0.178833 0.802976 0.097287 Sb\n0.677054 0.191923 0.796547 Sb\n0.822946 0.191923 0.296547 Sb\n0.322946 0.808077 0.203453 Sb\n0.177054 0.808077 0.703453 Sb\n0.616101 0.466000 0.967833 Sb\n0.883899 0.466000 0.467833 Sb\n0.383899 0.534000 0.032167 Sb\n0.116101 0.534000 0.532167 Sb\n0.743279 0.661132 0.382893 Sb\n0.756721 0.661132 0.882893 Sb\n0.256721 0.338868 0.617107 Sb\n0.243279 0.338868 0.117107 Sb\n0.520174 0.627428 0.864783 S\n0.979826 0.627428 0.364783 S\n0.479826 0.372572 0.135217 S\n0.020174 0.372572 0.635217 S\n0.595208 0.193570 0.920528 S\n0.904792 0.193570 0.420528 S\n0.404792 0.806430 0.079472 S\n0.095208 0.806430 0.579472 S\n0.768684 0.261749 0.570577 S\n0.731316 0.261749 0.070577 S\n0.231316 0.738251 0.429423 S\n0.268684 0.738251 0.929423 S\n0.678389 0.622631 0.581917 S\n0.821611 0.622631 0.081917 S\n0.321611 0.377369 0.418083 S\n0.178389 0.377369 0.918083 S\n0.596366 0.212926 0.274774 S\n0.903634 0.212926 0.774774 S\n0.403634 0.787074 0.725226 S\n0.096366 0.787074 0.225226 S\n0.681270 0.627076 0.210848 S\n0.818730 0.627076 0.710848 S\n0.318730 0.372924 0.789152 S\n0.181270 0.372924 0.289152 S\n0.622243 0.122959 0.632561 S\n0.877757 0.122959 0.132561 S\n0.377757 0.877041 0.367439 S\n0.122243 0.877041 0.867439 S\n0.506954 0.561385 0.753470 O\n0.993046 0.561385 0.253470 O\n0.493046 0.438615 0.246530 O\n0.006954 0.438615 0.746530 O\n",
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},
{
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"structure_string": "Rb2 Sb6 S10 O2\n1.0\n9.407985 0.192119 -1.577901\n-1.619755 8.985057 -0.058043\n0.453173 -0.284669 7.748110\nRb Sb S O\n2 6 10 2\ndirect\n0.842876 0.884812 0.846162 Rb\n0.157124 0.115188 0.153838 Rb\n0.598918 0.342169 0.648004 Sb\n0.401082 0.657831 0.351996 Sb\n0.840208 0.509888 0.329595 Sb\n0.159792 0.490112 0.670405 Sb\n0.625575 0.087408 0.272051 Sb\n0.374425 0.912592 0.727949 Sb\n0.690817 0.106908 0.594489 S\n0.309183 0.893092 0.405511 S\n0.838162 0.513316 0.651836 S\n0.161838 0.486684 0.348164 S\n0.543881 0.362980 0.332691 S\n0.456119 0.637020 0.667309 S\n0.833394 0.179472 0.160381 S\n0.166606 0.820528 0.839619 S\n0.864008 0.785267 0.351775 S\n0.135992 0.214733 0.648225 S\n0.058846 0.160834 0.803911 O\n0.941154 0.839166 0.196089 O\n",
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}
]
}