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"results": [
{
"id": "jvasp-85544",
"created_at": "2022-09-04T14:36:02.972265Z",
"updated_at": "2022-09-04T14:36:02.972289Z",
"structure_string": "Pr3 Ga10 Ni1\n1.0\n4.297703 -0.000000 0.000000\n-0.000000 4.294864 0.000000\n0.000000 0.000000 15.283020\nPr Ga Ni\n3 10 1\ndirect\n0.500000 0.000000 0.500000 Pr\n0.000000 0.000000 0.248564 Pr\n0.000000 0.000000 0.751436 Pr\n0.500000 0.499999 0.183290 Ga\n0.500000 0.499999 0.816710 Ga\n0.500000 0.499999 0.342358 Ga\n0.500000 0.499999 0.657642 Ga\n0.000000 0.499999 0.419245 Ga\n0.000000 0.499999 0.580755 Ga\n0.000000 0.499999 0.084838 Ga\n0.000000 0.499999 0.915162 Ga\n0.500000 0.000000 0.084489 Ga\n0.500000 0.000000 0.915511 Ga\n0.000000 0.000000 0.000000 Ni\n",
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{
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"updated_at": "2022-09-04T14:36:02.975154Z",
"structure_string": "Hf2 Ti6\n1.0\n6.000055 0.000000 -0.000000\n-3.000028 5.196199 -0.000000\n-0.000000 0.000000 4.711816\nHf Ti\n2 6\ndirect\n0.333333 0.666667 0.750001 Hf\n0.666666 0.333333 0.250000 Hf\n0.160985 0.321971 0.250000 Ti\n0.678028 0.839015 0.250000 Ti\n0.160985 0.839015 0.250000 Ti\n0.839014 0.678029 0.750001 Ti\n0.321971 0.160985 0.750001 Ti\n0.839014 0.160985 0.750001 Ti\n",
"nsites": 8,
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{
"id": "jvasp-67134",
"created_at": "2022-09-04T14:36:02.975668Z",
"updated_at": "2022-09-04T14:36:02.975700Z",
"structure_string": "Mn1 Be1 Cd1\n1.0\n-1.400570 1.400570 5.280847\n1.400570 -1.400570 5.280847\n1.400570 1.400570 -5.280847\nMn Be Cd\n1 1 1\ndirect\n0.639897 0.639897 0.000000 Mn\n0.020389 0.020389 0.000000 Be\n0.339714 0.339714 0.000000 Cd\n",
"nsites": 3,
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"density_atomic": 0.07240157923374106,
"volume": 41.43556027023676,
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"formula_full": "Mn1 Be1 Cd1",
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"formula_anonymous": "ABC",
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"spacegroup": 107
},
{
"id": "jvasp-88425",
"created_at": "2022-09-04T14:36:02.984206Z",
"updated_at": "2022-09-04T14:36:02.984233Z",
"structure_string": "K2 Cd1 N12\n1.0\n3.794396 0.000000 0.000000\n-1.897198 7.205228 -0.334223\n0.000000 0.011031 8.638809\nK Cd N\n2 1 12\ndirect\n0.345231 0.690460 0.829933 K\n0.654770 0.309540 0.170068 K\n-0.000000 -0.000000 0.500000 Cd\n0.398309 0.796617 0.484878 N\n0.601691 0.203383 0.515123 N\n0.324135 0.648269 0.415577 N\n0.675866 0.351731 0.584423 N\n0.251313 0.502628 0.351534 N\n0.748687 0.497373 0.648467 N\n0.996637 0.993273 0.773944 N\n0.003364 0.006728 0.226056 N\n0.069554 0.139107 0.845824 N\n0.930446 0.860893 0.154176 N\n0.140360 0.280719 0.918852 N\n0.859641 0.719281 0.081148 N\n",
"nsites": 15,
"nelements": 3,
"elements": [
"K",
"Cd",
"N"
],
"chemical_system": "Cd-K-N",
"density": 2.521714804188277,
"density_atomic": 0.06350695386789763,
"volume": 236.19460683316456,
"volume_molar": 9.482647794014499,
"formula_full": "K2 Cd1 N12",
"formula_reduced": "K2CdN12",
"formula_anonymous": "AB2C12",
"energy_above_hull": 4.81848365,
"spacegroup": 12
},
{
"id": "jvasp-91540",
"created_at": "2022-09-04T14:36:02.986317Z",
"updated_at": "2022-09-04T14:36:02.986340Z",
"structure_string": "Tb2 Ga4 Ni2\n1.0\n4.144847 0.000000 0.000000\n-2.072424 5.050429 -0.000000\n0.000000 0.000000 6.621400\nTb Ga Ni\n2 4 2\ndirect\n0.426676 0.853352 0.250000 Tb\n0.573325 0.146649 0.750000 Tb\n0.142344 0.284686 0.446254 Ga\n0.857658 0.715314 0.553746 Ga\n0.142344 0.284686 0.053746 Ga\n0.857658 0.715314 0.946254 Ga\n0.709040 0.418079 0.250000 Ni\n0.290961 0.581921 0.750000 Ni\n",
"nsites": 8,
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"elements": [
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"Ga",
"Ni"
],
"chemical_system": "Ga-Ni-Tb",
"density": 8.555383320285944,
"density_atomic": 0.05771695204113307,
"volume": 138.6074578972682,
"volume_molar": 10.433920273039035,
"formula_full": "Tb2 Ga4 Ni2",
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"formula_anonymous": "ABC2",
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"spacegroup": 63
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{
"id": "jvasp-91237",
"created_at": "2022-09-04T14:36:02.986526Z",
"updated_at": "2022-09-04T14:36:02.986553Z",
"structure_string": "K12 Sb4 O12\n1.0\n8.335222 0.000000 -0.000000\n-0.000000 8.335222 0.000000\n-0.000000 0.000000 8.335222\nK Sb O\n12 4 12\ndirect\n0.471881 0.971881 0.528119 K\n0.787145 0.212855 0.712855 K\n0.712855 0.787145 0.212855 K\n0.791020 0.791020 0.791020 K\n0.708980 0.208980 0.291020 K\n0.291020 0.708980 0.208980 K\n0.208980 0.291020 0.708980 K\n0.287145 0.287145 0.287145 K\n0.212855 0.712855 0.787145 K\n0.971881 0.528119 0.471881 K\n0.028119 0.028119 0.028119 K\n0.528119 0.471881 0.971881 K\n0.018043 0.981957 0.481957 Sb\n0.481957 0.018043 0.981957 Sb\n0.518043 0.518043 0.518043 Sb\n0.981957 0.481957 0.018043 Sb\n0.064355 0.994091 0.713913 O\n0.564355 0.505909 0.286087 O\n0.005909 0.213913 0.435645 O\n0.435645 0.005909 0.213913 O\n0.213913 0.435645 0.005909 O\n0.286087 0.564355 0.505909 O\n0.935645 0.494091 0.786087 O\n0.786087 0.935645 0.494091 O\n0.713913 0.064355 0.994091 O\n0.505909 0.286087 0.564355 O\n0.994091 0.713913 0.064355 O\n0.494091 0.786087 0.935645 O\n",
"nsites": 28,
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"elements": [
"K",
"Sb",
"O"
],
"chemical_system": "K-O-Sb",
"density": 3.2924547599011458,
"density_atomic": 0.04835111765675443,
"volume": 579.0972651092075,
"volume_molar": 12.455018729352442,
"formula_full": "K12 Sb4 O12",
"formula_reduced": "K3SbO3",
"formula_anonymous": "AB3C3",
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"spacegroup": 198
},
{
"id": "jvasp-71480",
"created_at": "2022-09-04T14:36:02.988771Z",
"updated_at": "2022-09-04T14:36:02.988804Z",
"structure_string": "Be1 Cr1 Sb2\n1.0\n3.209598 -0.000000 -0.000000\n0.000000 3.209598 0.000000\n0.000000 -0.000000 7.621006\nBe Cr Sb\n1 1 2\ndirect\n0.000000 0.000000 0.569614 Be\n0.500000 0.500000 0.690808 Cr\n0.000000 0.000000 0.901021 Sb\n0.500000 0.500000 0.338558 Sb\n",
"nsites": 4,
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"elements": [
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"Cr",
"Sb"
],
"chemical_system": "Be-Cr-Sb",
"density": 6.441146023505318,
"density_atomic": 0.05095026020955009,
"volume": 78.50794055906003,
"volume_molar": 11.819646720609315,
"formula_full": "Be1 Cr1 Sb2",
"formula_reduced": "BeCrSb2",
"formula_anonymous": "ABC2",
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"spacegroup": 99
},
{
"id": "jvasp-18445",
"created_at": "2022-09-04T14:36:02.988883Z",
"updated_at": "2022-09-04T14:36:02.988893Z",
"structure_string": "Sc2 Cl2\n1.0\n3.395471 -0.008582 8.391734\n1.626438 2.980603 8.391734\n-0.014501 -0.008582 9.052636\nSc Cl\n2 2\ndirect\n0.785947 0.785947 0.785946 Sc\n0.214053 0.214053 0.214053 Sc\n0.608983 0.608983 0.608982 Cl\n0.391017 0.391017 0.391017 Cl\n",
"nsites": 4,
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"elements": [
"Sc",
"Cl"
],
"chemical_system": "Cl-Sc",
"density": 2.895254254542013,
"density_atomic": 0.043367403510860214,
"volume": 92.23517379818016,
"volume_molar": 13.88632999089262,
"formula_full": "Sc2 Cl2",
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"spacegroup": 166
},
{
"id": "jvasp-68604",
"created_at": "2022-09-04T14:36:02.994925Z",
"updated_at": "2022-09-04T14:36:02.994951Z",
"structure_string": "Be1 Te2 Pt1\n1.0\n-1.869395 1.869395 7.207161\n1.869395 -1.869395 7.207161\n1.869395 1.869395 -7.207161\nBe Te Pt\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Be\n0.000000 0.000000 0.000000 Te\n0.250000 0.750001 0.500001 Te\n0.750001 0.250000 0.500001 Pt\n",
"nsites": 4,
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"elements": [
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"Te",
"Pt"
],
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"density": 7.570343120641181,
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"volume": 100.74566518282562,
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"formula_full": "Be1 Te2 Pt1",
"formula_reduced": "BeTe2Pt",
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"spacegroup": 119
},
{
"id": "jvasp-74061",
"created_at": "2022-09-04T14:36:02.999410Z",
"updated_at": "2022-09-04T14:36:02.999419Z",
"structure_string": "Li1 Be1 Tl2\n1.0\n3.823009 0.000000 0.000000\n0.000000 3.823009 0.000000\n0.000000 0.000000 5.512136\nLi Be Tl\n1 1 2\ndirect\n0.500000 0.500000 0.766456 Li\n-0.000000 0.000000 0.478656 Be\n-0.000000 0.000000 0.958723 Tl\n0.500000 0.500000 0.296166 Tl\n",
"nsites": 4,
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],
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"volume": 80.56206044531719,
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"formula_full": "Li1 Be1 Tl2",
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{
"id": "jvasp-98421",
"created_at": "2022-09-04T14:36:03.003050Z",
"updated_at": "2022-09-04T14:36:03.003074Z",
"structure_string": "Ti12 Zn12 C4\n1.0\n5.777390 5.777512 0.000023\n0.000045 5.777490 5.777506\n5.777377 0.000036 5.777515\nTi Zn C\n12 12 4\ndirect\n0.567109 0.932892 0.932891 Ti\n0.317150 0.682850 0.317149 Ti\n0.317112 0.317109 0.682888 Ti\n0.317118 0.682882 0.682882 Ti\n0.682891 0.682889 0.317108 Ti\n0.682880 0.317120 0.317119 Ti\n0.682852 0.317148 0.682850 Ti\n0.932876 0.932875 0.567122 Ti\n0.932891 0.567109 0.567110 Ti\n0.567147 0.932856 0.567141 Ti\n0.567129 0.567122 0.932874 Ti\n0.932859 0.567139 0.932857 Ti\n0.914452 0.914464 0.914451 Zn\n0.124995 0.124998 0.125003 Zn\n0.125004 0.624998 0.125002 Zn\n0.125000 0.125001 0.624997 Zn\n0.625001 0.125004 0.125001 Zn\n0.914451 0.256638 0.914446 Zn\n0.335535 0.335550 0.993366 Zn\n0.256639 0.914448 0.914463 Zn\n0.335554 0.335538 0.335552 Zn\n0.335548 0.993365 0.335552 Zn\n0.993359 0.335551 0.335537 Zn\n0.914464 0.914444 0.256642 Zn\n0.624995 0.125001 0.625002 C\n0.125000 0.624994 0.625003 C\n0.625002 0.625002 0.125003 C\n0.625006 0.625003 0.624995 C\n",
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{
"id": "jvasp-91251",
"created_at": "2022-09-04T14:36:03.004423Z",
"updated_at": "2022-09-04T14:36:03.004447Z",
"structure_string": "Tm8 Si8 O28\n1.0\n6.575453 -0.019649 -0.152593\n-0.258638 6.569166 -0.507235\n-0.048226 -0.011895 11.962471\nTm Si O\n8 8 28\ndirect\n0.454356 0.172243 0.885817 Tm\n0.820484 0.327173 0.111988 Tm\n0.179515 0.672828 0.888012 Tm\n0.871364 0.709185 0.634926 Tm\n0.545642 0.827758 0.114183 Tm\n0.616555 0.591574 0.356913 Tm\n0.383443 0.408427 0.643086 Tm\n0.128635 0.290816 0.365074 Tm\n0.639662 0.124732 0.377173 Si\n0.121545 0.779938 0.405412 Si\n0.878454 0.220063 0.594588 Si\n0.360336 0.875269 0.622827 Si\n0.988780 0.163540 0.826492 Si\n0.658885 0.647796 0.885784 Si\n0.341113 0.352205 0.114215 Si\n0.011218 0.836461 0.173507 Si\n0.274216 0.599464 0.375803 O\n0.725782 0.400537 0.624196 O\n0.912164 0.673244 0.449204 O\n0.087835 0.326757 0.550796 O\n0.098454 0.942441 0.305675 O\n0.901544 0.057560 0.694324 O\n0.502145 0.483156 0.813749 O\n0.885881 0.636077 0.215319 O\n0.497853 0.516845 0.186251 O\n0.502533 0.835350 0.917688 O\n0.497466 0.164652 0.082311 O\n0.856604 0.708768 0.816209 O\n0.143394 0.291234 0.183790 O\n0.728245 0.582727 0.008804 O\n0.271753 0.417274 0.991196 O\n0.569425 0.911808 0.306752 O\n0.799367 0.205903 0.908463 O\n0.430573 0.088193 0.693248 O\n0.542174 0.725516 0.580247 O\n0.787140 0.284604 0.311078 O\n0.212859 0.715397 0.688922 O\n0.781208 0.069184 0.487477 O\n0.218791 0.930817 0.512523 O\n0.151351 0.011752 0.876786 O\n0.848648 0.988249 0.123214 O\n0.114117 0.363924 0.784681 O\n0.457824 0.274485 0.419753 O\n0.200631 0.794098 0.091537 O\n",
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"elements": [
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],
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"density": 6.506671912218215,
"density_atomic": 0.08517688465017001,
"volume": 516.572074462601,
"volume_molar": 7.0701585115886,
"formula_full": "Tm8 Si8 O28",
"formula_reduced": "Tm2Si2O7",
"formula_anonymous": "A2B2C7",
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}
]
}