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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=1184",
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"results": [
{
"id": "jvasp-51361",
"created_at": "2022-09-04T14:37:12.679688Z",
"updated_at": "2022-09-04T14:37:12.679718Z",
"structure_string": "Ho6 H18\n1.0\n3.145286 -5.447796 -0.000000\n3.145286 5.447796 0.000000\n-0.000000 -0.000000 6.561363\nHo H\n6 18\ndirect\n0.662204 0.000000 0.750000 Ho\n0.000000 0.662204 0.750000 Ho\n0.337797 0.337797 0.750000 Ho\n0.000000 0.337797 0.250000 Ho\n0.662204 0.662204 0.250000 Ho\n0.337797 0.000000 0.250000 Ho\n0.666668 0.333333 0.814868 H\n0.666668 0.333333 0.314868 H\n0.333333 0.666668 0.185131 H\n0.333333 0.666668 0.685131 H\n0.320300 0.966591 0.909803 H\n0.646290 0.679701 0.909803 H\n0.033410 0.353711 0.909803 H\n0.320300 0.353711 0.409803 H\n0.679701 0.033410 0.090197 H\n0.646291 0.966591 0.409803 H\n0.000000 0.000000 0.750000 H\n0.353711 0.320300 0.090197 H\n0.966591 0.646291 0.090197 H\n0.679701 0.646290 0.590196 H\n0.966591 0.320300 0.590196 H\n0.353711 0.033410 0.590196 H\n0.033410 0.679701 0.409803 H\n0.000000 0.000000 0.250000 H\n",
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{
"id": "jvasp-23357",
"created_at": "2022-09-04T14:37:33.054541Z",
"updated_at": "2022-09-04T14:37:33.054560Z",
"structure_string": "Dy4 Ge4 Ru4\n1.0\n4.435237 0.000000 0.000000\n0.000000 7.015105 0.000000\n0.000000 0.000000 7.226850\nDy Ge Ru\n4 4 4\ndirect\n0.250000 0.984688 0.808412 Dy\n0.750000 0.015312 0.191588 Dy\n0.250000 0.484688 0.691588 Dy\n0.750000 0.515313 0.308412 Dy\n0.250000 0.296816 0.106180 Ge\n0.750000 0.703185 0.893820 Ge\n0.250000 0.796816 0.393820 Ge\n0.750000 0.203184 0.606180 Ge\n0.750000 0.843876 0.563850 Ru\n0.250000 0.156125 0.436150 Ru\n0.750000 0.343875 0.936150 Ru\n0.250000 0.656125 0.063850 Ru\n",
"nsites": 12,
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"elements": [
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"density": 9.931610235541376,
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"volume": 224.85370502506566,
"volume_molar": 11.284172183903873,
"formula_full": "Dy4 Ge4 Ru4",
"formula_reduced": "DyGeRu",
"formula_anonymous": "ABC",
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"spacegroup": 62
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{
"id": "jvasp-116849",
"created_at": "2022-09-04T14:38:44.046611Z",
"updated_at": "2022-09-04T14:38:44.046638Z",
"structure_string": "Li2 V4 F14\n1.0\n8.888676 0.013806 0.295887\n7.586146 4.632402 0.295887\n-0.087722 -0.024739 5.471252\nLi V F\n2 4 14\ndirect\n0.500000 0.000000 0.000000 Li\n0.000001 0.500000 0.500000 Li\n0.149975 0.639883 0.800127 V\n0.639883 0.149975 0.300127 V\n0.360118 0.850025 0.699873 V\n0.850026 0.360118 0.199873 V\n0.644670 0.501067 0.896638 F\n0.501068 0.644669 0.396638 F\n0.209510 0.069826 0.006431 F\n0.069826 0.209510 0.506431 F\n0.617617 0.795975 0.688813 F\n0.795975 0.617616 0.188813 F\n0.930175 0.790490 0.493569 F\n0.382384 0.204026 0.311187 F\n0.107104 0.892897 0.750000 F\n0.790491 0.930175 0.993569 F\n0.498933 0.355331 0.603363 F\n0.355331 0.498933 0.103363 F\n0.204026 0.382384 0.811187 F\n0.892897 0.107104 0.250000 F\n",
"nsites": 20,
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"density": 3.57177761842231,
"density_atomic": 0.08895205545969437,
"volume": 224.84022315889402,
"volume_molar": 6.770097361863358,
"formula_full": "Li2 V4 F14",
"formula_reduced": "LiV2F7",
"formula_anonymous": "AB2C7",
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"spacegroup": 15
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{
"id": "jvasp-11094",
"created_at": "2022-09-04T14:38:11.972035Z",
"updated_at": "2022-09-04T14:38:11.972056Z",
"structure_string": "Mg1 Fe4 S8\n1.0\n5.726733 -0.128452 4.154414\n2.048367 5.349407 4.154414\n-0.191290 -0.128452 7.072344\nMg Fe S\n1 4 8\ndirect\n0.500000 0.500002 0.499998 Mg\n0.500001 1.000000 0.499999 Fe\n0.999999 0.500001 0.500000 Fe\n0.500000 0.500000 -0.000001 Fe\n0.000000 0.000000 0.000000 Fe\n0.762306 0.262740 0.762305 S\n0.237693 0.237694 0.737260 S\n0.237693 0.737262 0.237692 S\n0.737260 0.237694 0.237693 S\n0.261196 0.261198 0.261196 S\n0.738803 0.738804 0.738802 S\n0.262740 0.762308 0.762305 S\n0.762307 0.762308 0.262738 S\n",
"nsites": 13,
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"density": 3.7238406756075895,
"density_atomic": 0.05782001475846893,
"volume": 224.83563960169835,
"volume_molar": 10.415322073431213,
"formula_full": "Mg1 Fe4 S8",
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"formula_anonymous": "AB4C8",
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{
"id": "jvasp-66155",
"created_at": "2022-09-04T14:36:10.270816Z",
"updated_at": "2022-09-04T14:36:10.270845Z",
"structure_string": "Ba4 Ta1 Pd1\n1.0\n-0.000000 4.826250 4.826250\n4.826250 0.000000 4.826250\n4.826250 4.826250 0.000000\nBa Ta Pd\n4 1 1\ndirect\n0.125883 0.624705 0.624705 Ba\n0.624705 0.624705 0.624705 Ba\n0.624705 0.125883 0.624705 Ba\n0.624705 0.624705 0.125883 Ba\n0.000000 0.000000 0.000000 Ta\n0.250000 0.250000 0.250000 Pd\n",
"nsites": 6,
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],
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"volume": 224.83268117578123,
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"formula_full": "Ba4 Ta1 Pd1",
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"formula_anonymous": "ABC4",
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},
{
"id": "jvasp-19298",
"created_at": "2022-09-04T14:37:06.295788Z",
"updated_at": "2022-09-04T14:37:06.295819Z",
"structure_string": "Mg6 Fe4 O14\n1.0\n5.199075 0.000000 0.000000\n0.000000 4.790134 -1.292062\n-0.000000 -0.125100 9.061606\nMg Fe O\n6 4 14\ndirect\n0.677036 0.771551 0.000000 Mg\n0.177035 0.228448 0.000000 Mg\n0.828377 0.562025 0.614858 Mg\n0.328376 0.437975 0.385142 Mg\n0.828377 0.947165 0.385142 Mg\n0.328376 0.052834 0.614858 Mg\n0.750468 0.353604 0.204543 Fe\n0.250468 0.646395 0.795458 Fe\n0.250468 0.850937 0.204543 Fe\n0.750468 0.149063 0.795458 Fe\n0.296139 0.621804 0.000000 O\n0.796139 0.378196 0.000000 O\n0.439669 0.140028 0.152259 O\n0.939669 0.859971 0.847741 O\n0.049312 0.572944 0.263693 O\n0.549313 0.427055 0.736307 O\n0.205590 0.068844 0.407033 O\n0.049312 0.309251 0.736307 O\n0.705591 0.338189 0.407033 O\n0.205590 0.661810 0.592968 O\n0.939669 0.012231 0.152259 O\n0.705591 0.931155 0.592968 O\n0.549313 0.690748 0.263693 O\n0.439669 0.987769 0.847741 O\n",
"nsites": 24,
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"elements": [
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],
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"density_atomic": 0.1067462363155633,
"volume": 224.83228288303468,
"volume_molar": 5.6415485621407235,
"formula_full": "Mg6 Fe4 O14",
"formula_reduced": "Mg3Fe2O7",
"formula_anonymous": "A2B3C7",
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"spacegroup": 36
},
{
"id": "jvasp-90539",
"created_at": "2022-09-04T14:35:56.710553Z",
"updated_at": "2022-09-04T14:35:56.710570Z",
"structure_string": "Rb2 Fe2 Se4\n1.0\n0.001392 0.000000 -5.640590\n-3.359753 -5.931998 1.418212\n-3.359753 5.931998 1.418212\nRb Fe Se\n2 2 4\ndirect\n0.250000 0.139396 0.860603 Rb\n0.750000 0.860603 0.139396 Rb\n0.250000 0.501224 0.498775 Fe\n0.750000 0.498775 0.501224 Fe\n0.403139 0.196345 0.419913 Se\n0.096862 0.580086 0.803654 Se\n0.596862 0.803654 0.580087 Se\n0.903139 0.419913 0.196345 Se\n",
"nsites": 8,
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],
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"density": 4.420492497688566,
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"volume": 224.81103843878134,
"volume_molar": 16.923046473501397,
"formula_full": "Rb2 Fe2 Se4",
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"formula_anonymous": "ABC2",
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"spacegroup": 15
},
{
"id": "jvasp-102622",
"created_at": "2022-09-04T14:36:50.301397Z",
"updated_at": "2022-09-04T14:36:50.301418Z",
"structure_string": "Nd4 Ge4 Ru2\n1.0\n5.328305 -0.004342 2.763368\n3.558079 3.966223 2.763368\n-0.007386 -0.003293 10.624468\nNd Ge Ru\n4 4 2\ndirect\n0.003835 0.003835 0.325988 Nd\n-0.003836 -0.003835 0.674012 Nd\n0.815132 0.815132 0.108552 Nd\n0.184867 0.184868 0.891449 Nd\n0.654473 0.654474 0.431558 Ge\n0.345526 0.345527 0.568443 Ge\n0.505848 0.505849 0.127784 Ge\n0.494150 0.494152 0.872217 Ge\n0.723957 0.723958 0.624038 Ru\n0.276042 0.276042 0.375963 Ru\n",
"nsites": 10,
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"elements": [
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"density": 7.901682996157799,
"density_atomic": 0.04448580985895173,
"volume": 224.79078231252507,
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"formula_full": "Nd4 Ge4 Ru2",
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"formula_anonymous": "AB2C2",
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{
"id": "jvasp-116683",
"created_at": "2022-09-04T14:38:43.005889Z",
"updated_at": "2022-09-04T14:38:43.005913Z",
"structure_string": "Li4 Si1 Ge3 O10\n1.0\n4.715177 -0.013315 1.514440\n0.010538 5.971640 0.046782\n-0.008883 -0.003890 7.980419\nLi Si Ge O\n4 1 3 10\ndirect\n0.633006 0.651663 0.885818 Li\n0.521284 0.348577 0.111600 Li\n0.132092 0.353987 0.880073 Li\n0.022858 0.650415 0.106786 Li\n0.211005 0.841924 0.712605 Si\n0.930874 0.160647 0.287599 Ge\n0.710988 0.157052 0.710048 Ge\n0.427054 0.835173 0.296427 Ge\n0.395274 0.655507 0.136852 O\n0.529086 0.342056 0.867262 O\n0.900613 0.339822 0.125619 O\n0.035921 0.668813 0.858556 O\n0.530164 0.889733 0.736136 O\n0.054643 0.094888 0.733576 O\n0.298143 0.113117 0.268837 O\n0.247020 0.747090 0.513859 O\n0.797759 0.881788 0.270277 O\n0.746231 0.267742 0.498066 O\n",
"nsites": 18,
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"formula_full": "Li4 Si1 Ge3 O10",
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"spacegroup": 1
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{
"id": "jvasp-50144",
"created_at": "2022-09-04T14:36:53.281167Z",
"updated_at": "2022-09-04T14:36:53.281204Z",
"structure_string": "Sr2 Sm4 O8\n1.0\n3.452296 0.000000 0.000000\n-1.726148 5.740508 -0.000000\n0.000000 0.000000 11.342500\nSr Sm O\n2 4 8\ndirect\n0.113598 0.227194 0.250000 Sr\n0.886404 0.772806 0.750000 Sr\n0.367625 0.735249 0.426187 Sm\n0.367625 0.735249 0.073813 Sm\n0.632376 0.264752 0.573813 Sm\n0.632376 0.264752 0.926187 Sm\n0.000000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.461754 0.923508 0.250000 O\n0.265189 0.530378 0.611102 O\n0.265189 0.530378 0.888898 O\n0.538246 0.076493 0.750000 O\n0.734812 0.469622 0.388898 O\n0.734812 0.469622 0.111102 O\n",
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],
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"volume": 224.78490285622905,
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"formula_full": "Sr2 Sm4 O8",
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{
"id": "jvasp-30438",
"created_at": "2022-09-04T14:38:05.288454Z",
"updated_at": "2022-09-04T14:38:05.288479Z",
"structure_string": "Sb4 S4 O2\n1.0\n4.080254 0.003675 -0.006750\n-2.050369 10.529085 -0.031492\n-2.029458 -1.717796 5.240102\nSb S O\n4 4 2\ndirect\n0.333452 0.634138 0.030849 Sb\n0.671928 0.366081 0.975952 Sb\n0.268718 0.881874 0.654052 Sb\n0.736667 0.118343 0.352748 Sb\n0.072361 0.913934 0.228952 S\n0.933021 0.086284 0.777851 S\n0.607881 0.699604 0.514395 S\n0.397501 0.300615 0.492405 S\n0.817280 0.570506 0.062189 O\n0.188098 0.429710 0.944613 O\n",
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],
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"density": 4.78200650797505,
"density_atomic": 0.04448937077623774,
"volume": 224.77279011869302,
"volume_molar": 13.536133811127065,
"formula_full": "Sb4 S4 O2",
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"spacegroup": 12
},
{
"id": "jvasp-54574",
"created_at": "2022-09-04T14:38:34.685666Z",
"updated_at": "2022-09-04T14:38:34.685691Z",
"structure_string": "Pr3 In3 Au3\n1.0\n3.934993 -6.815608 0.000000\n3.934993 6.815608 -0.000000\n0.000000 -0.000000 4.190407\nPr In Au\n3 3 3\ndirect\n0.408475 0.408475 0.500000 Pr\n-0.000000 0.591525 0.500000 Pr\n0.591525 -0.000000 0.500000 Pr\n0.746596 0.746596 0.000000 In\n-0.000000 0.253403 0.000000 In\n0.253403 -0.000000 0.000000 In\n0.000000 0.000000 0.500000 Au\n0.666667 0.333333 0.000000 Au\n0.333333 0.666667 0.000000 Au\n",
"nsites": 9,
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],
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"volume": 224.76814964582812,
"volume_molar": 15.039838172576902,
"formula_full": "Pr3 In3 Au3",
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"formula_anonymous": "ABC",
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"spacegroup": 189
}
]
}