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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=387",
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"results": [
{
"id": "jvasp-44724",
"created_at": "2022-09-04T14:38:11.892423Z",
"updated_at": "2022-09-04T14:38:11.892449Z",
"structure_string": "Li4 Si4 Ni2 O12\n1.0\n2.890643 4.821822 0.097187\n-2.890643 4.821822 -0.097187\n-0.275950 0.000000 9.093854\nLi Si Ni O\n4 4 2 12\ndirect\n0.613307 0.716759 0.882677 Li\n0.283241 0.386693 0.382678 Li\n0.716759 0.613307 0.617322 Li\n0.386693 0.283241 0.117322 Li\n0.135849 0.793202 0.636557 Si\n0.206798 0.864150 0.136557 Si\n0.793202 0.135849 0.863443 Si\n0.864150 0.206798 0.363443 Si\n0.244229 0.244229 0.750000 Ni\n0.755770 0.755770 0.250000 Ni\n0.756332 0.519711 0.410665 O\n0.480288 0.243668 0.910664 O\n0.000000 0.000000 0.000000 O\n0.126397 0.126397 0.250000 O\n0.000000 -0.000000 0.500000 O\n0.364756 0.853962 0.713505 O\n0.519711 0.756332 0.089335 O\n0.243668 0.480288 0.589335 O\n0.146038 0.635244 0.213505 O\n0.853962 0.364756 0.786495 O\n0.873602 0.873602 0.750000 O\n0.635244 0.146038 0.286495 O\n",
"nsites": 22,
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"elements": [
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],
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"volume_molar": 6.946318298706944,
"formula_full": "Li4 Si4 Ni2 O12",
"formula_reduced": "Li2Si2NiO6",
"formula_anonymous": "AB2C2D6",
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"spacegroup": 15
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{
"id": "jvasp-43149",
"created_at": "2022-09-04T14:36:44.842108Z",
"updated_at": "2022-09-04T14:36:44.842116Z",
"structure_string": "Li4 Si2 Ni2 O8\n1.0\n4.862989 0.000000 0.000000\n0.000000 5.275621 0.000000\n0.000000 0.000000 6.311904\nLi Si Ni O\n4 2 2 8\ndirect\n0.007739 0.671791 0.249332 Li\n0.507739 0.328209 0.250668 Li\n0.007739 0.671791 0.750667 Li\n0.507739 0.328209 0.749332 Li\n0.498052 0.836248 0.000000 Si\n0.998052 0.163752 0.500000 Si\n0.013633 0.188400 0.000000 Ni\n0.513633 0.811600 0.500000 Ni\n0.157577 0.836792 0.000000 O\n0.605827 0.134230 0.000000 O\n0.104718 0.314350 0.285556 O\n0.604718 0.685650 0.214444 O\n0.105826 0.865770 0.500000 O\n0.657577 0.163208 0.500000 O\n0.604718 0.685650 0.785555 O\n0.104718 0.314350 0.714444 O\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Li-Ni-O-Si",
"density": 3.3769605520673354,
"density_atomic": 0.09880586446515509,
"volume": 161.93370794951716,
"volume_molar": 6.0949223941295205,
"formula_full": "Li4 Si2 Ni2 O8",
"formula_reduced": "Li2SiNiO4",
"formula_anonymous": "ABC2D4",
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"spacegroup": 31
},
{
"id": "jvasp-42971",
"created_at": "2022-09-04T14:37:27.224569Z",
"updated_at": "2022-09-04T14:37:27.224581Z",
"structure_string": "Li3 Si2 Ni2 O8\n1.0\n4.940719 -0.005086 0.003592\n0.041129 5.300170 0.035650\n0.018748 0.043212 6.320175\nLi Si Ni O\n3 2 2 8\ndirect\n0.496278 0.173140 0.998582 Li\n0.997753 0.826464 0.498789 Li\n0.003017 0.340329 0.246057 Li\n0.991331 0.324172 0.748441 Si\n0.493797 0.677405 0.245551 Si\n0.991423 0.826865 0.978527 Ni\n0.505279 0.165570 0.497344 Ni\n0.103571 0.184189 0.968810 O\n0.661280 0.283446 0.745716 O\n0.069709 0.623804 0.747220 O\n0.110411 0.189182 0.530065 O\n0.603891 0.827765 0.454460 O\n0.598723 0.378842 0.254827 O\n0.158346 0.686576 0.236912 O\n0.615335 0.825929 0.036521 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
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],
"chemical_system": "Li-Ni-O-Si",
"density": 3.234596962781703,
"density_atomic": 0.09063577104904597,
"volume": 165.49757150389345,
"volume_molar": 6.644331140230742,
"formula_full": "Li3 Si2 Ni2 O8",
"formula_reduced": "Li3Si2(NiO4)2",
"formula_anonymous": "A2B2C3D8",
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"spacegroup": 1
},
{
"id": "jvasp-112767",
"created_at": "2022-09-04T14:38:43.683050Z",
"updated_at": "2022-09-04T14:38:43.683065Z",
"structure_string": "Li7 Si2 Ni3 O12\n1.0\n4.799199 0.000059 -0.814867\n-2.399525 4.211444 0.407211\n0.004136 -0.000034 9.579287\nLi Si Ni O\n7 2 3 12\ndirect\n0.583293 0.666575 0.750001 Li\n0.340290 0.666691 0.996758 Li\n0.826409 0.666701 0.503243 Li\n0.177597 0.342659 0.502743 Li\n0.665080 0.342676 0.997264 Li\n0.501549 0.990659 0.502718 Li\n0.989113 0.990677 0.997274 Li\n0.916571 0.333139 0.750000 Si\n0.250031 0.000050 0.750001 Si\n0.083356 0.666707 0.250000 Ni\n0.748818 -0.002372 0.249998 Ni\n0.417916 0.335834 0.250002 Ni\n0.618291 0.037641 0.855652 O\n0.461417 0.666664 0.370023 O\n0.705292 0.666749 0.129977 O\n0.177995 0.666593 0.644529 O\n0.988618 0.666616 0.855471 O\n0.049981 0.338063 0.137936 O\n0.788072 0.338005 0.362050 O\n0.378643 -0.004538 0.137961 O\n0.116776 -0.004597 0.362053 O\n0.247252 0.295574 0.855646 O\n0.919352 0.037625 0.644348 O\n0.548320 0.295559 0.644356 O\n",
"nsites": 24,
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"elements": [
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],
"chemical_system": "Li-Ni-O-Si",
"density": 4.054965718093958,
"density_atomic": 0.12394910320063707,
"volume": 193.62786321375052,
"volume_molar": 4.858559363880131,
"formula_full": "Li7 Si2 Ni3 O12",
"formula_reduced": "Li7Si2(NiO4)3",
"formula_anonymous": "A2B3C7D12",
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"spacegroup": 12
},
{
"id": "jvasp-46789",
"created_at": "2022-09-04T14:38:05.756115Z",
"updated_at": "2022-09-04T14:38:05.756133Z",
"structure_string": "Li4 Si6 Ni2 O16\n1.0\n0.000000 6.394744 0.127334\n8.114064 0.000000 0.000000\n0.000000 -1.927745 -6.431884\nLi Si Ni O\n4 6 2 16\ndirect\n0.832190 0.680617 0.244995 Li\n0.606230 0.182581 0.545872 Li\n0.393770 0.682581 0.454127 Li\n0.167810 0.180617 0.755005 Li\n0.782897 0.322730 0.933467 Si\n0.805314 0.834789 0.671570 Si\n0.576892 0.974017 0.951201 Si\n0.217104 0.822730 0.066533 Si\n0.423109 0.474017 0.048799 Si\n0.194686 0.334789 0.328430 Si\n0.004505 0.014274 0.365634 Ni\n-0.004504 0.514274 0.634366 Ni\n0.758573 0.683655 0.505944 O\n0.611177 0.166682 0.894485 O\n0.247794 0.409695 0.839178 O\n0.578624 0.863887 0.742162 O\n0.798781 0.359492 0.703493 O\n0.878095 0.012455 0.597727 O\n0.241427 0.183656 0.494056 O\n0.320322 0.974424 0.959710 O\n0.201219 0.859492 0.296507 O\n0.421376 0.363887 0.257838 O\n0.752206 0.909695 0.160822 O\n0.388823 0.666682 0.105515 O\n0.679678 0.474425 0.040290 O\n0.008397 0.265548 0.112384 O\n0.121905 0.512454 0.402273 O\n-0.008396 0.765548 0.887615 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
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],
"chemical_system": "Li-Ni-O-Si",
"density": 2.851413905537781,
"density_atomic": 0.08440300194098667,
"volume": 331.74175510460145,
"volume_molar": 7.134984090033424,
"formula_full": "Li4 Si6 Ni2 O16",
"formula_reduced": "Li2Si3NiO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.573752585714286,
"spacegroup": 4
},
{
"id": "jvasp-46737",
"created_at": "2022-09-04T14:37:59.191262Z",
"updated_at": "2022-09-04T14:37:59.191280Z",
"structure_string": "Li5 Si2 Ni1 O8\n1.0\n3.643598 3.691907 0.017257\n-3.643598 3.691907 -0.017257\n0.028912 0.000000 6.224909\nLi Si Ni O\n5 2 1 8\ndirect\n0.172507 0.792947 0.490914 Li\n0.692159 0.692159 0.750000 Li\n0.331377 0.331377 0.250000 Li\n0.681185 0.681186 0.250000 Li\n0.792947 0.172507 0.009086 Li\n0.170169 0.816822 0.004626 Si\n0.816821 0.170170 0.495374 Si\n0.322252 0.322253 0.750000 Ni\n0.303530 0.688544 0.779947 O\n0.304608 0.699670 0.216782 O\n0.139226 0.225327 0.509493 O\n0.801204 0.858478 0.501063 O\n0.225327 0.139226 0.990508 O\n0.858478 0.801204 0.998938 O\n0.688543 0.303531 0.720053 O\n0.699670 0.304608 0.283218 O\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Li-Ni-O-Si",
"density": 2.7521906635894915,
"density_atomic": 0.09554001961472824,
"volume": 167.46908849842308,
"volume_molar": 6.303265149290006,
"formula_full": "Li5 Si2 Ni1 O8",
"formula_reduced": "Li5Si2NiO8",
"formula_anonymous": "AB2C5D8",
"energy_above_hull": 2.198862975,
"spacegroup": 5
},
{
"id": "jvasp-21113",
"created_at": "2022-09-04T14:38:34.295129Z",
"updated_at": "2022-09-04T14:38:34.295155Z",
"structure_string": "Li4 Si4 N4 O4\n1.0\n4.785311 0.000000 0.000000\n0.000000 5.219618 0.000000\n0.000000 0.000000 6.365193\nLi Si N O\n4 4 4 4\ndirect\n0.997214 0.598415 0.387796 Li\n0.497214 0.401585 0.612203 Li\n0.497214 0.901585 0.387796 Li\n0.997214 0.098415 0.612203 Li\n0.511268 0.419579 0.121719 Si\n0.511268 0.919579 0.878281 Si\n0.011268 0.080421 0.121719 Si\n0.011268 0.580421 0.878281 Si\n0.147119 0.391523 0.086769 N\n0.647118 0.608477 0.913231 N\n0.647118 0.108477 0.086769 N\n0.147119 0.891523 0.913231 N\n0.594399 0.042374 0.653647 O\n0.094399 0.457626 0.653647 O\n0.094399 0.957626 0.346353 O\n0.594399 0.542374 0.346353 O\n",
"nsites": 16,
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"elements": [
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"N",
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],
"chemical_system": "Li-N-O-Si",
"density": 2.7169380844610265,
"density_atomic": 0.10063742545420822,
"volume": 158.98657907619346,
"volume_molar": 5.983997238423174,
"formula_full": "Li4 Si4 N4 O4",
"formula_reduced": "LiSiNO",
"formula_anonymous": "ABCD",
"energy_above_hull": 2.3421788375,
"spacegroup": 29
},
{
"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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"elements": [
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"Ge",
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],
"chemical_system": "Ge-Li-O-Si",
"density": 3.204245925855595,
"density_atomic": 0.08007487029980444,
"volume": 224.7896241680701,
"volume_molar": 7.520637545153423,
"formula_full": "Li4 Si1 Ge3 O10",
"formula_reduced": "Li4SiGe3O10",
"formula_anonymous": "AB3C4D10",
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"spacegroup": 1
},
{
"id": "jvasp-50722",
"created_at": "2022-09-04T14:35:59.639564Z",
"updated_at": "2022-09-04T14:35:59.639592Z",
"structure_string": "Li6 Si3 Cu3 O12\n1.0\n-5.002985 -0.000171 0.000014\n2.501366 4.332807 -0.000332\n-0.000048 0.000239 -11.410862\nLi Si Cu O\n6 3 3 12\ndirect\n0.546285 0.663235 0.586355 Li\n0.336770 0.883060 0.919706 Li\n0.116959 0.453721 0.253022 Li\n0.663230 0.546289 0.080296 Li\n0.883039 0.336759 0.746973 Li\n0.453714 0.116946 0.413640 Li\n0.816404 0.816401 0.333332 Si\n0.183598 -0.000006 0.666667 Si\n-0.000001 0.183592 -0.000003 Si\n0.999996 0.456430 0.499997 Cu\n0.456476 0.000032 0.166681 Cu\n0.543528 0.543564 0.833317 Cu\n0.292956 0.140278 0.040410 O\n0.707047 0.847328 0.959587 O\n0.311047 0.877355 0.557214 O\n0.566320 0.688951 0.223877 O\n0.152696 0.859723 0.292934 O\n0.847300 0.707025 0.707067 O\n0.140279 0.292960 0.626259 O\n0.122651 0.433712 0.890543 O\n0.877361 0.311057 0.109446 O\n0.688942 0.566292 0.442788 O\n0.859718 0.152673 0.373734 O\n0.433679 0.122637 0.776123 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
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"Si",
"Cu",
"O"
],
"chemical_system": "Cu-Li-O-Si",
"density": 3.413972876642327,
"density_atomic": 0.09702928113175883,
"volume": 247.34801412585665,
"volume_molar": 6.206518990718238,
"formula_full": "Li6 Si3 Cu3 O12",
"formula_reduced": "Li2CuSiO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.73257163125,
"spacegroup": 152
},
{
"id": "jvasp-50761",
"created_at": "2022-09-04T14:35:54.235895Z",
"updated_at": "2022-09-04T14:35:54.235915Z",
"structure_string": "Li2 Si4 Bi2 O12\n1.0\n5.031878 4.610769 0.136345\n-5.031878 4.610769 -0.136345\n-1.539762 0.000000 5.044088\nLi Si Bi O\n2 4 2 12\ndirect\n0.088691 0.088690 0.750000 Li\n0.911310 0.911310 0.250000 Li\n0.189490 0.625021 0.726189 Si\n0.374979 0.810511 0.226189 Si\n0.625021 0.189489 0.773812 Si\n0.810511 0.374979 0.273812 Si\n0.722444 0.722444 0.750000 Bi\n0.277556 0.277556 0.250000 Bi\n0.887423 0.603914 0.179767 O\n0.684877 0.361110 0.519220 O\n0.396086 0.112577 0.679767 O\n0.638890 0.315124 0.019219 O\n0.361110 0.684876 0.980781 O\n0.208006 0.980613 0.142646 O\n0.315124 0.638890 0.480781 O\n0.112577 0.396086 0.820233 O\n0.791994 0.019387 0.857354 O\n0.019387 0.791994 0.642647 O\n0.603914 0.887423 0.320233 O\n0.980613 0.208006 0.357354 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"Bi",
"O"
],
"chemical_system": "Bi-Li-O-Si",
"density": 5.180099735079837,
"density_atomic": 0.08474935875872865,
"volume": 235.98998615361356,
"volume_molar": 7.105824572837559,
"formula_full": "Li2 Si4 Bi2 O12",
"formula_reduced": "LiSi2BiO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.42648025,
"spacegroup": 15
},
{
"id": "jvasp-40475",
"created_at": "2022-09-04T14:37:49.457137Z",
"updated_at": "2022-09-04T14:37:49.457159Z",
"structure_string": "Li5 Si2 Bi1 O8\n1.0\n3.724233 3.892284 -0.038264\n-3.724233 3.892284 0.038264\n-0.072884 0.000000 6.405369\nLi Si Bi O\n5 2 1 8\ndirect\n0.186281 0.830550 0.529845 Li\n0.673576 0.673575 0.750000 Li\n0.324927 0.324927 0.750000 Li\n0.288639 0.288639 0.250000 Li\n0.830551 0.186280 0.970155 Li\n0.177001 0.838780 0.986037 Si\n0.838781 0.177000 0.513963 Si\n0.680528 0.680527 0.250000 Bi\n0.320853 0.699733 0.796208 O\n0.253528 0.699361 0.220243 O\n0.138210 0.209182 0.503760 O\n0.810536 0.868310 0.534367 O\n0.209183 0.138210 0.996240 O\n0.868311 0.810535 0.965633 O\n0.699733 0.320853 0.703793 O\n0.699361 0.253527 0.279758 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
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"O"
],
"chemical_system": "Bi-Li-O-Si",
"density": 3.826286793231216,
"density_atomic": 0.08616983146466811,
"volume": 185.6798339748456,
"volume_molar": 6.988688103062191,
"formula_full": "Li5 Si2 Bi1 O8",
"formula_reduced": "Li5Si2BiO8",
"formula_anonymous": "AB2C5D8",
"energy_above_hull": 2.18443309375,
"spacegroup": 5
},
{
"id": "jvasp-52286",
"created_at": "2022-09-04T14:37:02.549694Z",
"updated_at": "2022-09-04T14:37:02.549720Z",
"structure_string": "Li4 Si4 Bi4 O16\n1.0\n4.887072 0.000000 0.000000\n-0.000000 6.824104 0.000000\n0.000000 0.000000 10.667337\nLi Si Bi O\n4 4 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.500000 0.000000 0.500000 Li\n0.887898 0.750000 0.578164 Si\n0.612101 0.750000 0.078164 Si\n0.387898 0.250000 0.921836 Si\n0.112101 0.250000 0.421836 Si\n0.064182 0.750000 0.279960 Bi\n0.435817 0.750000 0.779961 Bi\n0.564182 0.250000 0.220040 Bi\n0.935817 0.250000 0.720040 Bi\n0.253015 0.062931 0.343583 O\n0.280587 0.750000 0.072585 O\n0.219413 0.750000 0.572585 O\n0.246985 0.062931 0.843583 O\n0.246985 0.437069 0.843583 O\n0.246111 0.250000 0.062411 O\n0.753889 0.750000 0.937589 O\n0.746985 0.937068 0.656417 O\n0.753014 0.562931 0.156417 O\n0.780586 0.250000 0.427415 O\n0.719413 0.250000 0.927415 O\n0.746985 0.562931 0.656417 O\n0.253015 0.437069 0.343583 O\n0.746110 0.750000 0.437589 O\n0.753014 0.937068 0.156417 O\n0.253889 0.250000 0.562411 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Si",
"Bi",
"O"
],
"chemical_system": "Bi-Li-O-Si",
"density": 5.750634436419203,
"density_atomic": 0.0787059638192664,
"volume": 355.7544897651821,
"volume_molar": 7.651441476313949,
"formula_full": "Li4 Si4 Bi4 O16",
"formula_reduced": "LiSiBiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.0168181285714284,
"spacegroup": 62
}
]
}