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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=chemical_system&page=11453",
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"results": [
{
"id": "mp-1179756",
"created_at": "2022-09-04T14:44:57.796232Z",
"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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"elements": [
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"O"
],
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"formula_full": "Rb2 Sb6 S10 O2",
"formula_reduced": "RbSb3S5O",
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"updated_at": "2021-11-28T01:36:42.940000Z",
"spacegroup": 2
},
{
"id": "mp-1197769",
"created_at": "2022-09-04T14:43:20.304728Z",
"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",
"nsites": 52,
"nelements": 4,
"elements": [
"Rb",
"Sb",
"S",
"O"
],
"chemical_system": "O-Rb-S-Sb",
"density": 3.449973142046233,
"density_atomic": 0.03322305889848534,
"volume": 1565.177973493907,
"volume_molar": 18.12638859775357,
"formula_full": "Rb4 Sb16 S28 O4",
"formula_reduced": "RbSb4S7O",
"formula_anonymous": "ABC4D7",
"energy": -230.96762563,
"energy_per_atom": -4.441685108269231,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -228.21962563,
"band_gap": 1.0185,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:08.962000Z",
"spacegroup": 14
},
{
"id": "mp-1105975",
"created_at": "2022-09-04T14:39:28.323305Z",
"structure_string": "Rb2 Sb6 S10 O2\n1.0\n5.972020 0.000000 0.000000\n1.072156 9.055676 0.000000\n0.696443 2.477468 10.694006\nRb Sb S O\n2 6 10 2\ndirect\n0.787470 0.866864 0.158548 Rb\n0.212530 0.133136 0.841452 Rb\n0.715624 0.342275 0.463821 Sb\n0.284376 0.657725 0.536179 Sb\n0.296441 0.479866 0.125355 Sb\n0.703559 0.520134 0.874645 Sb\n0.283363 0.081812 0.367921 Sb\n0.716637 0.918188 0.632079 Sb\n0.693307 0.086935 0.376385 S\n0.306693 0.913065 0.623615 S\n0.704684 0.480087 0.114681 S\n0.295316 0.519913 0.885319 S\n0.315113 0.414806 0.422361 S\n0.684887 0.585194 0.577639 S\n0.323879 0.192878 0.117202 S\n0.676121 0.807122 0.882798 S\n0.296370 0.824195 0.318764 S\n0.703630 0.175805 0.681236 S\n0.553163 0.155911 0.052216 O\n0.446837 0.844089 0.947784 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Rb",
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"S",
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],
"chemical_system": "O-Rb-S-Sb",
"density": 3.6009251011393153,
"density_atomic": 0.034581787922941185,
"volume": 578.3390970000199,
"volume_molar": 17.41419724572707,
"formula_full": "Rb2 Sb6 S10 O2",
"formula_reduced": "RbSb3S5O",
"formula_anonymous": "ABC3D5",
"energy": -89.34328357999999,
"energy_per_atom": -4.467164178999999,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -87.96928358,
"band_gap": 1.1550000000000002,
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"total_magnetization": 0.0003796,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.541000Z",
"spacegroup": 2
},
{
"id": "mp-1209187",
"created_at": "2022-09-04T14:39:09.492555Z",
"structure_string": "Rb1 Sc1 S2 O8\n1.0\n2.529818 -4.381772 0.000000\n2.529818 4.381772 0.000000\n0.000000 0.000000 8.768509\nRb Sc S O\n1 1 2 8\ndirect\n0.000000 0.000000 0.500000 Rb\n0.000000 0.000000 0.000000 Sc\n0.333333 0.666667 0.210598 S\n0.666667 0.333333 0.789402 S\n0.095961 0.361742 0.151378 O\n0.638258 0.734219 0.151378 O\n0.361742 0.095961 0.848622 O\n0.265781 0.904039 0.151378 O\n0.734219 0.638258 0.848622 O\n0.904039 0.265781 0.848622 O\n0.333333 0.666667 0.376825 O\n0.666667 0.333333 0.623175 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Rb",
"Sc",
"S",
"O"
],
"chemical_system": "O-Rb-S-Sc",
"density": 2.755179363365376,
"density_atomic": 0.06172860239305604,
"volume": 194.39934705778956,
"volume_molar": 9.755835263617506,
"formula_full": "Rb1 Sc1 S2 O8",
"formula_reduced": "RbSc(SO4)2",
"formula_anonymous": "ABC2D8",
"energy": -85.09512819999999,
"energy_per_atom": -7.091260683333332,
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"energy_uncorrected": -79.5991282,
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"total_magnetization": 0.000964,
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"updated_at": "2021-11-28T01:34:41.824000Z",
"spacegroup": 150
},
{
"id": "mp-1020711",
"created_at": "2022-09-04T14:43:57.884975Z",
"structure_string": "Rb4 Si2 S12 O42\n1.0\n4.888561 -8.467236 0.000000\n4.888561 8.467236 0.000000\n0.000000 0.000000 11.513725\nRb Si S O\n4 2 12 42\ndirect\n0.333333 0.666667 0.565037 Rb\n0.666667 0.333333 0.434963 Rb\n0.333333 0.666667 0.121144 Rb\n0.666667 0.333333 0.878856 Rb\n0.000000 0.000000 0.762048 Si\n0.000000 0.000000 0.237952 Si\n0.670394 0.757565 0.337922 S\n0.087171 0.329606 0.337922 S\n0.242435 0.912829 0.337922 S\n0.329606 0.242435 0.662078 S\n0.912829 0.670394 0.662078 S\n0.757565 0.087171 0.662078 S\n0.660060 0.860133 0.848596 S\n0.200073 0.339940 0.848596 S\n0.139867 0.799927 0.848596 S\n0.339940 0.139867 0.151404 S\n0.799927 0.660060 0.151404 S\n0.860133 0.200073 0.151404 S\n0.675979 0.023845 0.792400 O\n0.347866 0.324021 0.792400 O\n0.976155 0.652134 0.792400 O\n0.324021 0.976155 0.207600 O\n0.652134 0.675979 0.207600 O\n0.023845 0.347866 0.207600 O\n0.832732 0.904197 0.332333 O\n0.071465 0.167268 0.332333 O\n0.095803 0.928535 0.332333 O\n0.167268 0.095803 0.667667 O\n0.928535 0.832732 0.667667 O\n0.904197 0.071465 0.667667 O\n0.832482 0.901917 0.856149 O\n0.069435 0.167518 0.856149 O\n0.098083 0.930565 0.856149 O\n0.167518 0.098083 0.143851 O\n0.930565 0.832482 0.143851 O\n0.901917 0.069435 0.143851 O\n0.547310 0.796630 0.334872 O\n0.249320 0.452690 0.334872 O\n0.203370 0.750680 0.334872 O\n0.452690 0.203370 0.665128 O\n0.750680 0.547310 0.665128 O\n0.796630 0.249320 0.665128 O\n0.600548 0.856735 0.962727 O\n0.256187 0.399452 0.962727 O\n0.143265 0.743813 0.962727 O\n0.399452 0.143265 0.037273 O\n0.743813 0.600548 0.037273 O\n0.856735 0.256187 0.037273 O\n0.571036 0.732939 0.769367 O\n0.161903 0.428964 0.769367 O\n0.267061 0.838097 0.769367 O\n0.428964 0.267061 0.230633 O\n0.838097 0.571036 0.230633 O\n0.732939 0.161903 0.230633 O\n0.665246 0.650383 0.424941 O\n0.985137 0.334754 0.424941 O\n0.349617 0.014863 0.424941 O\n0.334754 0.349617 0.575059 O\n0.014863 0.665246 0.575059 O\n0.650383 0.985137 0.575059 O\n",
"nsites": 60,
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"elements": [
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"S",
"O"
],
"chemical_system": "O-Rb-S-Si",
"density": 2.5344454193876707,
"density_atomic": 0.06294811057225555,
"volume": 953.1660196715271,
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"formula_full": "Rb4 Si2 S12 O42",
"formula_reduced": "Rb2Si(S2O7)3",
"formula_anonymous": "AB2C6D21",
"energy": -391.12832544,
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"updated_at": "2021-11-28T01:36:21.102000Z",
"spacegroup": 147
},
{
"id": "mp-1210169",
"created_at": "2022-09-04T14:41:06.373119Z",
"structure_string": "Rb4 Sm4 S8 O48\n1.0\n20.113774 0.000000 0.000000\n0.000000 6.302217 0.000000\n0.000000 0.714961 8.992169\nRb Sm S O\n4 4 8 48\ndirect\n0.211831 0.846255 0.633589 Rb\n0.788169 0.153745 0.366411 Rb\n0.711831 0.153745 0.866411 Rb\n0.288169 0.846255 0.133589 Rb\n0.362447 0.374410 0.788731 Sm\n0.637553 0.625590 0.211269 Sm\n0.862447 0.625590 0.711269 Sm\n0.137553 0.374410 0.288731 Sm\n0.218847 0.378094 0.909827 S\n0.781153 0.621906 0.090173 S\n0.718847 0.621906 0.590173 S\n0.281153 0.378094 0.409827 S\n0.426903 0.808014 0.772407 S\n0.573097 0.191986 0.227593 S\n0.926903 0.191986 0.727593 S\n0.073097 0.808014 0.272407 S\n0.121184 0.176794 0.525378 O\n0.878816 0.823206 0.474622 O\n0.621184 0.823206 0.974622 O\n0.378816 0.176794 0.025378 O\n0.422222 0.649059 0.905799 O\n0.577778 0.350941 0.094201 O\n0.922222 0.350941 0.594201 O\n0.077778 0.649059 0.405799 O\n0.760193 0.817001 0.617873 O\n0.239807 0.182999 0.382127 O\n0.260193 0.182999 0.882127 O\n0.739807 0.817001 0.117873 O\n0.473760 0.325970 0.635851 O\n0.526240 0.674030 0.364149 O\n0.973760 0.674030 0.864149 O\n0.026240 0.325970 0.135851 O\n0.078183 0.765341 0.826347 O\n0.921817 0.234659 0.173653 O\n0.578183 0.234659 0.673653 O\n0.421817 0.765341 0.326347 O\n0.163780 0.405818 0.805648 O\n0.836220 0.594182 0.194352 O\n0.663780 0.594182 0.694352 O\n0.336220 0.405818 0.305648 O\n0.385352 0.714291 0.654949 O\n0.614648 0.285709 0.345051 O\n0.885352 0.285709 0.845051 O\n0.114648 0.714291 0.154949 O\n0.303144 0.357613 0.567577 O\n0.696856 0.642387 0.432423 O\n0.803144 0.642387 0.932423 O\n0.196856 0.357613 0.067577 O\n0.268169 0.560518 0.887856 O\n0.731831 0.439482 0.112144 O\n0.768169 0.439482 0.612144 O\n0.231831 0.560518 0.387856 O\n0.494488 0.856979 0.727399 O\n0.505512 0.143021 0.272601 O\n0.994488 0.143021 0.772601 O\n0.005512 0.856979 0.227399 O\n0.024131 0.707119 0.771882 O\n0.975869 0.292881 0.228118 O\n0.524131 0.292881 0.728118 O\n0.475869 0.707119 0.271882 O\n0.390054 0.010387 0.807702 O\n0.609946 0.989613 0.192298 O\n0.890054 0.989613 0.692298 O\n0.109946 0.010387 0.307702 O\n",
"nsites": 64,
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"elements": [
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],
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"density": 2.8666799173631716,
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"volume": 1139.859647656392,
"volume_molar": 10.725617570048122,
"formula_full": "Rb4 Sm4 S8 O48",
"formula_reduced": "RbSm(SO6)2",
"formula_anonymous": "ABC2D12",
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"updated_at": "2021-11-28T01:35:15.003000Z",
"spacegroup": 14
},
{
"id": "mp-1193618",
"created_at": "2022-09-04T14:45:53.070801Z",
"structure_string": "Rb8 Sn2 S8 O8\n1.0\n7.248199 0.000000 0.000000\n-0.707930 8.327405 0.000000\n-1.658930 -3.068566 13.083992\nRb Sn S O\n8 2 8 8\ndirect\n0.346309 0.184782 0.524320 Rb\n0.653691 0.815218 0.475680 Rb\n0.849235 0.927303 0.788208 Rb\n0.150765 0.072697 0.211792 Rb\n0.667995 0.496940 0.899546 Rb\n0.332005 0.503060 0.100454 Rb\n0.023807 0.445609 0.674878 Rb\n0.976193 0.554391 0.325122 Rb\n0.323079 0.845199 0.728391 Sn\n0.676921 0.154801 0.271609 Sn\n0.515623 0.623224 0.652367 S\n0.484377 0.376776 0.347633 S\n0.088095 0.807095 0.581147 S\n0.911905 0.192905 0.418853 S\n0.230751 0.789248 0.922256 S\n0.769249 0.210752 0.077744 S\n0.484182 0.136835 0.746143 S\n0.515818 0.863165 0.253857 S\n0.323088 0.255285 0.735401 O\n0.676912 0.744715 0.264599 O\n0.702433 0.602859 0.724233 O\n0.297567 0.397141 0.275767 O\n0.406015 0.716319 0.954856 O\n0.593985 0.283681 0.045144 O\n0.059813 0.660395 0.897255 O\n0.940187 0.339605 0.102745 O\n",
"nsites": 26,
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"elements": [
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"S",
"O"
],
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"volume": 789.7325986890883,
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"formula_full": "Rb8 Sn2 S8 O8",
"formula_reduced": "Rb4Sn(SO)4",
"formula_anonymous": "AB4C4D4",
"energy": -121.06902258,
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},
{
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{
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]
}