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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=3812",
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{
"id": "jvasp-14516",
"created_at": "2022-09-04T14:38:08.174653Z",
"updated_at": "2022-09-04T14:38:08.174681Z",
"structure_string": "Ca2 Ge2\n1.0\n4.021019 -0.000000 -0.000000\n-0.000000 4.180365 -1.760946\n0.000000 0.006596 5.858083\nCa Ge\n2 2\ndirect\n0.750000 0.363730 0.727457 Ca\n0.250000 0.636270 0.272542 Ca\n0.750000 0.077908 0.155816 Ge\n0.250000 0.922092 0.844183 Ge\n",
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{
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"structure_string": "Ca1 Ga1 Sn1 H1\n1.0\n2.182925 -3.780937 0.000000\n2.182925 3.780937 0.000000\n0.000000 -0.000000 4.937558\nCa Ga Sn H\n1 1 1 1\ndirect\n0.000000 0.000000 -0.001573 Ca\n0.666666 0.333332 0.617013 Ga\n0.333332 0.666666 0.443899 Sn\n0.666666 0.333332 0.967561 H\n",
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{
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"structure_string": "Ca1 Ga1 Si1 H1\n1.0\n2.042891 -3.538392 0.000000\n2.042891 3.538392 -0.000000\n0.000000 0.000000 4.762994\nCa Ga Si H\n1 1 1 1\ndirect\n0.000000 0.000000 -0.003145 Ca\n0.666667 0.333333 0.558160 Ga\n0.333333 0.666667 0.432122 Si\n0.666667 0.333333 0.928362 H\n",
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{
"id": "jvasp-110608",
"created_at": "2022-09-04T14:38:38.826176Z",
"updated_at": "2022-09-04T14:38:38.826190Z",
"structure_string": "Ca1 Ga1 Si1\n1.0\n4.143730 -0.000000 0.000000\n-2.071864 3.588575 -0.000000\n0.000000 0.000000 4.341851\nCa Ga Si\n1 1 1\ndirect\n0.666668 0.333333 0.000000 Ca\n0.000000 0.000000 0.500000 Ga\n0.333334 0.666668 0.500000 Si\n",
"nsites": 3,
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"volume": 64.56369726878766,
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"formula_full": "Ca1 Ga1 Si1",
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"spacegroup": 187
},
{
"id": "jvasp-114712",
"created_at": "2022-09-04T14:38:41.797514Z",
"updated_at": "2022-09-04T14:38:41.797530Z",
"structure_string": "Ca1 Ga1 Si1\n1.0\n5.204331 0.000000 0.000000\n-2.602166 4.507083 0.000000\n-0.000000 0.000000 3.023039\nCa Ga Si\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.333332 0.666666 0.000000 Ga\n0.666666 0.333333 0.000000 Si\n",
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"elements": [
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"volume": 70.90946621799715,
"volume_molar": 14.234226226041455,
"formula_full": "Ca1 Ga1 Si1",
"formula_reduced": "CaGaSi",
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"spacegroup": 187
},
{
"id": "jvasp-112481",
"created_at": "2022-09-04T14:38:40.730896Z",
"updated_at": "2022-09-04T14:38:40.730924Z",
"structure_string": "Ca2 Ga4 S8\n1.0\n5.882266 0.037874 0.000000\n-2.802281 5.172012 0.000000\n0.000000 0.000000 10.142938\nCa Ga S\n2 4 8\ndirect\n0.500000 0.499999 0.750000 Ca\n0.500000 0.499999 0.250000 Ca\n0.770108 0.233988 0.500000 Ga\n0.229892 0.766011 0.500000 Ga\n0.766011 0.229891 -0.000000 Ga\n0.233989 0.770107 -0.000000 Ga\n0.353178 0.196207 0.500000 S\n0.646822 0.803792 0.500000 S\n0.803793 0.646821 -0.000000 S\n0.196207 0.353178 -0.000000 S\n0.500000 -0.000000 0.827404 S\n-0.000000 0.500000 0.672597 S\n0.500000 -0.000000 0.172597 S\n-0.000000 0.500000 0.327403 S\n",
"nsites": 14,
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"elements": [
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"density": 3.3009940677416045,
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"volume": 309.6566340842157,
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"formula_full": "Ca2 Ga4 S8",
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"formula_anonymous": "AB2C4",
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"spacegroup": 66
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{
"id": "jvasp-22033",
"created_at": "2022-09-04T14:37:32.957517Z",
"updated_at": "2022-09-04T14:37:32.957541Z",
"structure_string": "Ca8 Ga16 S32\n1.0\n11.341124 0.015419 -3.149712\n-6.541787 9.264252 -3.149712\n-0.014293 -0.027637 11.761278\nCa Ga S\n8 16 32\ndirect\n0.875000 0.125000 0.250000 Ca\n0.125000 0.875000 0.750000 Ca\n0.375000 0.625000 0.250000 Ca\n0.625000 0.375000 0.750000 Ca\n0.622711 0.872711 0.745425 Ca\n0.127288 0.377288 0.754575 Ca\n0.377288 0.127288 0.254575 Ca\n0.872711 0.622712 0.245425 Ca\n0.886295 0.863063 0.998830 Ga\n0.531823 0.641004 0.999655 Ga\n0.358995 0.468177 0.500345 Ga\n0.641349 0.032168 0.500345 Ga\n0.468177 0.358995 0.000345 Ga\n0.358650 0.967832 0.499655 Ga\n0.641004 0.531823 0.499655 Ga\n0.032168 0.641349 0.000345 Ga\n0.387466 0.864234 0.001170 Ga\n0.863063 0.886296 0.498830 Ga\n0.135766 0.612534 0.498830 Ga\n0.113704 0.136936 0.001170 Ga\n0.612534 0.135766 0.998830 Ga\n0.136936 0.113704 0.501170 Ga\n0.967832 0.358650 0.999655 Ga\n0.864233 0.387466 0.501170 Ga\n0.087672 0.587345 0.672284 S\n0.084612 0.084939 0.672284 S\n0.412655 0.912328 0.827716 S\n0.915060 0.915387 0.827716 S\n0.815512 0.149330 0.997496 S\n0.084939 0.084612 0.172284 S\n0.151835 0.318016 0.502505 S\n0.850669 0.184488 0.502505 S\n0.681983 0.848165 0.997496 S\n0.184488 0.850670 0.002505 S\n0.848165 0.681983 0.497496 S\n0.149330 0.815512 0.497495 S\n0.318016 0.151835 0.002505 S\n0.159484 0.346509 0.002673 S\n0.343837 0.656811 0.497328 S\n0.653490 0.840516 0.497328 S\n0.343188 0.656162 0.002673 S\n0.587345 0.087672 0.172284 S\n0.840516 0.653490 0.997328 S\n0.346509 0.159484 0.502673 S\n0.656811 0.343837 0.997328 S\n0.585511 0.085177 0.673360 S\n0.411818 0.412150 0.826641 S\n0.914822 0.414489 0.826641 S\n0.587849 0.588182 0.673360 S\n0.414489 0.914822 0.326641 S\n0.588182 0.587849 0.173360 S\n0.085177 0.585511 0.173359 S\n0.412150 0.411818 0.326641 S\n0.912328 0.412655 0.327716 S\n0.656162 0.343189 0.502673 S\n0.915387 0.915060 0.327716 S\n",
"nsites": 56,
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],
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"density": 3.310859338095854,
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"volume": 1234.9358372158488,
"volume_molar": 13.28028114514694,
"formula_full": "Ca8 Ga16 S32",
"formula_reduced": "Ca(GaS2)2",
"formula_anonymous": "AB2C4",
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"spacegroup": 70
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{
"id": "jvasp-115790",
"created_at": "2022-09-04T14:38:39.544270Z",
"updated_at": "2022-09-04T14:38:39.544286Z",
"structure_string": "Ca1 Ga1 O3\n1.0\n3.862389 -0.000000 -0.000000\n-0.000000 3.862389 -0.000000\n0.000000 0.000000 3.862389\nCa Ga O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ga\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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"formula_full": "Ca1 Ga1 O3",
"formula_reduced": "CaGaO3",
"formula_anonymous": "ABC3",
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"spacegroup": 221
},
{
"id": "jvasp-115792",
"created_at": "2022-09-04T14:38:50.238936Z",
"updated_at": "2022-09-04T14:38:50.238965Z",
"structure_string": "Ca1 Ga1 O3\n1.0\n2.732397 -2.734044 0.003523\n2.732397 2.734044 0.003523\n-0.004894 0.000000 3.864990\nCa Ga O\n1 1 3\ndirect\n0.477414 0.477414 0.510910 Ca\n0.977281 0.977281 0.010997 Ga\n0.977214 0.977214 0.511010 O\n0.977143 0.477256 0.011033 O\n0.477256 0.977143 0.011033 O\n",
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"formula_full": "Ca1 Ga1 O3",
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"spacegroup": 221
},
{
"id": "jvasp-21255",
"created_at": "2022-09-04T14:38:08.067411Z",
"updated_at": "2022-09-04T14:38:08.067435Z",
"structure_string": "Ca4 Ga8 O16\n1.0\n3.021634 -0.000000 0.000000\n0.000000 9.193529 0.000000\n0.000000 0.000000 10.658604\nCa Ga O\n4 8 16\ndirect\n0.749999 0.757419 0.654541 Ca\n0.250000 0.242581 0.345459 Ca\n0.749999 0.257419 0.845459 Ca\n0.250000 0.742581 0.154541 Ca\n0.250000 0.082382 0.604362 Ga\n0.749999 0.917618 0.395638 Ga\n0.749999 0.417618 0.104362 Ga\n0.250000 0.582382 0.895638 Ga\n0.250000 0.564869 0.388360 Ga\n0.749999 0.935131 0.888359 Ga\n0.250000 0.064869 0.111640 Ga\n0.749999 0.435131 0.611640 Ga\n0.250000 0.381870 0.977191 O\n0.250000 0.795633 0.837657 O\n0.749999 0.204367 0.162343 O\n0.749999 0.118130 0.477191 O\n0.250000 0.881870 0.522808 O\n0.749999 0.618130 0.022808 O\n0.749999 0.527037 0.783417 O\n0.749999 0.917290 0.072173 O\n0.749999 0.027037 0.716582 O\n0.250000 0.972963 0.283417 O\n0.749999 0.417290 0.427827 O\n0.250000 0.582710 0.572172 O\n0.749999 0.704367 0.337657 O\n0.250000 0.082710 0.927827 O\n0.250000 0.472963 0.216583 O\n0.250000 0.295633 0.662343 O\n",
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"formula_full": "Ca4 Ga8 O16",
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{
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"created_at": "2022-09-04T14:38:40.104690Z",
"updated_at": "2022-09-04T14:38:40.104712Z",
"structure_string": "Ca1 Ga1 O2\n1.0\n3.286614 0.000000 0.000000\n0.000000 3.286614 -0.000000\n0.000000 -0.000000 4.899302\nCa Ga O\n1 1 2\ndirect\n0.500000 0.500000 0.520882 Ca\n0.000000 0.000000 0.040460 Ga\n0.000000 0.000000 0.441240 O\n0.500000 0.500000 0.007417 O\n",
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"formula_anonymous": "ABC2",
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"spacegroup": 99
},
{
"id": "jvasp-115791",
"created_at": "2022-09-04T14:38:47.635568Z",
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"structure_string": "Ca1 Ga1 O1\n1.0\n4.233418 0.000000 0.000000\n0.000000 4.233418 0.000000\n0.000000 0.000000 8.466836\nCa Ga O\n1 1 1\ndirect\n0.000000 0.000000 0.248712 Ca\n0.000000 0.000000 0.763438 Ga\n0.000000 0.000000 -0.001130 O\n",
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}
]
}