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{
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"results": [
{
"id": "jvasp-43076",
"created_at": "2022-09-04T14:36:18.967258Z",
"updated_at": "2022-09-04T14:36:18.967283Z",
"structure_string": "Na5 Li3 Ti5 O14\n1.0\n5.213102 -0.002039 0.015519\n-0.895718 6.948682 0.015623\n-1.609261 -0.240980 8.028272\nNa Li Ti O\n5 3 5 14\ndirect\n0.513638 0.998662 0.496640 Na\n0.912548 0.844748 0.346496 Na\n0.647116 0.307179 0.812373 Na\n0.074313 0.135227 0.640885 Na\n0.357631 0.710046 0.210900 Na\n0.174154 0.467468 0.915501 Li\n0.857475 0.709936 0.712554 Li\n0.567934 0.152453 0.140340 Li\n0.126241 0.281501 0.265795 Ti\n0.699296 0.425160 0.427132 Ti\n0.452792 0.857627 0.867363 Ti\n0.013625 0.987173 0.994441 Ti\n0.276059 0.577526 0.584133 Ti\n0.041879 0.535828 0.351622 O\n0.463047 0.402796 0.216145 O\n0.833728 0.177771 0.375658 O\n0.405810 0.310297 0.522848 O\n0.682218 0.882682 0.075260 O\n0.600054 0.673203 0.479338 O\n0.124521 0.748091 0.952312 O\n0.969829 0.448027 0.658210 O\n0.486488 0.592887 0.804700 O\n0.205654 0.827240 0.619798 O\n0.752480 0.979851 0.780204 O\n0.945907 0.269408 0.049607 O\n0.310851 0.100603 0.900835 O\n0.219160 0.024917 0.227823 O\n",
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{
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"structure_string": "Li4 Mn4 P4 O16\n1.0\n5.250452 -0.080429 -0.000000\n0.748302 9.388261 -0.000001\n-0.000000 -0.000001 6.114365\nLi Mn P O\n4 4 4 16\ndirect\n0.169206 0.927938 0.640924 Li\n0.330792 0.572062 0.140924 Li\n0.669206 0.427938 0.859077 Li\n0.830792 0.072062 0.359076 Li\n0.222868 0.330518 0.609004 Mn\n0.277130 0.169482 0.109003 Mn\n0.722868 0.830518 0.890997 Mn\n0.777130 0.669482 0.390998 Mn\n0.260568 0.633432 0.651749 P\n0.239431 0.866568 0.151748 P\n0.760567 0.133432 0.848252 P\n0.739432 0.366568 0.348253 P\n0.485832 0.763560 0.165415 O\n0.492284 0.729192 0.646418 O\n0.507717 0.270808 0.353583 O\n0.785194 0.023355 0.660205 O\n0.261779 0.953305 0.938249 O\n0.214805 0.976644 0.339795 O\n0.285194 0.523355 0.839795 O\n0.992283 0.229192 0.853583 O\n0.985831 0.263560 0.334586 O\n0.014169 0.736440 0.665415 O\n0.714805 0.476644 0.160205 O\n0.761779 0.453305 0.561751 O\n0.738219 0.046695 0.061751 O\n0.007716 0.770808 0.146417 O\n0.238219 0.546695 0.438249 O\n0.514169 0.236440 0.834587 O\n",
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"elements": [
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],
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"density_atomic": 0.0927886557579234,
"volume": 301.761026402293,
"volume_molar": 6.490169203131017,
"formula_full": "Li4 Mn4 P4 O16",
"formula_reduced": "LiMnPO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 14
},
{
"id": "jvasp-50690",
"created_at": "2022-09-04T14:35:44.106421Z",
"updated_at": "2022-09-04T14:35:44.106446Z",
"structure_string": "Li2 Cu4 F12\n1.0\n4.622420 -0.002934 -0.000015\n0.002964 4.622623 -0.000089\n-0.000031 -0.000154 9.078611\nLi Cu F\n2 4 12\ndirect\n0.999997 0.000003 0.000003 Li\n0.500010 0.499992 0.499997 Li\n-0.000002 -0.000007 0.668480 Cu\n0.000015 0.999993 0.331523 Cu\n0.499996 0.500001 0.831524 Cu\n0.500011 0.499992 0.168476 Cu\n0.801116 0.198874 0.169644 F\n0.698920 0.698870 0.330350 F\n0.698899 0.698875 0.669649 F\n0.692928 0.692897 -0.000001 F\n0.307075 0.307099 -0.000002 F\n0.198915 0.801118 0.169642 F\n0.301091 0.301120 0.669648 F\n0.801090 0.198874 0.830358 F\n0.198896 0.801123 0.830359 F\n0.192938 0.807086 0.500001 F\n0.301115 0.301110 0.330350 F\n0.807076 0.192897 0.500000 F\n",
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"volume": 193.98916061280633,
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"formula_full": "Li2 Cu4 F12",
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{
"id": "jvasp-15925",
"created_at": "2022-09-04T14:37:59.328201Z",
"updated_at": "2022-09-04T14:37:59.328221Z",
"structure_string": "Mn3 Pd1 N1\n1.0\n3.777074 0.000000 -0.000000\n0.000000 3.777074 -0.000000\n0.000000 0.000000 3.777074\nMn Pd N\n3 1 1\ndirect\n0.000000 0.499999 0.499999 Mn\n0.499999 0.499999 0.000000 Mn\n0.499999 0.000000 0.499999 Mn\n0.000000 0.000000 0.000000 Pd\n0.499999 0.499999 0.499999 N\n",
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"formula_full": "Mn3 Pd1 N1",
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"formula_anonymous": "ABC3",
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"spacegroup": 221
},
{
"id": "jvasp-78763",
"created_at": "2022-09-04T14:37:18.129239Z",
"updated_at": "2022-09-04T14:37:18.129262Z",
"structure_string": "Co2\n1.0\n-1.244070 -2.154701 0.000000\n-1.244070 2.154701 0.000000\n0.000000 0.000000 -4.020342\nCo\n2\ndirect\n0.666691 0.333308 0.750000 Co\n0.333308 0.666691 0.250000 Co\n",
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"volume": 21.553848469111983,
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"spacegroup": 194
},
{
"id": "jvasp-63225",
"created_at": "2022-09-04T14:36:18.070346Z",
"updated_at": "2022-09-04T14:36:18.070370Z",
"structure_string": "Ca2 B4 C4\n1.0\n3.788066 -0.000000 0.000000\n0.000000 3.788066 0.000000\n0.000000 0.000000 7.510322\nCa B C\n2 4 4\ndirect\n0.000000 0.000000 0.750000 Ca\n0.000000 0.000000 0.250000 Ca\n0.500001 0.218892 0.000000 B\n0.500001 0.781109 0.000000 B\n0.218892 0.500001 0.500000 B\n0.781109 0.500001 0.500000 B\n0.184731 0.500001 0.000000 C\n0.815270 0.500001 0.000000 C\n0.500001 0.815270 0.500000 C\n0.500001 0.184731 0.500000 C\n",
"nsites": 10,
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],
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"density": 2.6416465966753586,
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"volume": 107.76894511384813,
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"formula_full": "Ca2 B4 C4",
"formula_reduced": "Ca(BC)2",
"formula_anonymous": "AB2C2",
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"spacegroup": 131
},
{
"id": "jvasp-118743",
"created_at": "2022-09-04T14:38:51.435489Z",
"updated_at": "2022-09-04T14:38:51.435508Z",
"structure_string": "Mn1 Si1 O2\n1.0\n2.977724 -0.000000 -0.000000\n-0.000000 2.977724 0.000000\n-0.000000 0.000000 4.861638\nMn Si O\n1 1 2\ndirect\n0.499999 0.499999 0.440268 Mn\n0.000000 0.000000 -0.024415 Si\n0.000000 0.000000 0.624761 O\n0.499999 0.499999 0.969387 O\n",
"nsites": 4,
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"density": 4.4307762019995245,
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"volume": 43.107367354336,
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"formula_full": "Mn1 Si1 O2",
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"formula_anonymous": "ABC2",
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"spacegroup": 99
},
{
"id": "jvasp-48715",
"created_at": "2022-09-04T14:35:46.671824Z",
"updated_at": "2022-09-04T14:35:46.671849Z",
"structure_string": "Li4 Co2 Si2 O8\n1.0\n5.266811 0.137393 -0.033977\n0.135521 5.266858 0.033977\n-0.055310 0.055290 6.220314\nLi Co Si O\n4 2 2 8\ndirect\n0.175400 0.175399 0.499999 Li\n0.314579 0.685569 0.738537 Li\n0.685570 0.314580 0.261461 Li\n0.824754 0.824755 0.499999 Li\n0.810949 0.810951 -0.000001 Co\n0.189202 0.189200 0.999999 Co\n0.322342 0.677807 0.256995 Si\n0.677807 0.322343 0.743003 Si\n0.194309 0.805841 0.027433 O\n0.194035 0.806118 0.465768 O\n0.294587 0.365313 0.251423 O\n0.365315 0.294585 0.748575 O\n0.634839 0.705562 0.251423 O\n0.705560 0.634841 0.748575 O\n0.806120 0.194036 0.534230 O\n0.805842 0.194311 0.972566 O\n",
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"elements": [
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"formula_full": "Li4 Co2 Si2 O8",
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"formula_anonymous": "ABC2D4",
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"spacegroup": 12
},
{
"id": "jvasp-50014",
"created_at": "2022-09-04T14:37:13.299754Z",
"updated_at": "2022-09-04T14:37:13.299779Z",
"structure_string": "Al4 Si4 O14\n1.0\n5.197742 -0.021838 -0.004709\n0.576713 5.165694 0.004709\n-2.297271 2.578899 8.829632\nAl Si O\n4 4 14\ndirect\n0.375746 0.272066 0.978802 Al\n0.272066 0.375746 0.521198 Al\n0.727934 0.624253 0.478802 Al\n0.624253 0.727933 0.021198 Al\n0.191901 0.802900 0.704425 Si\n0.197099 0.808098 0.204425 Si\n0.802900 0.191900 0.795575 Si\n0.808099 0.197099 0.295575 Si\n0.933495 0.933495 0.750000 O\n0.684841 0.972464 0.394854 O\n0.583382 0.379527 0.133946 O\n0.408366 0.912591 0.105412 O\n0.620473 0.416618 0.633946 O\n0.379527 0.583381 0.366054 O\n0.066504 0.066504 0.250000 O\n0.416618 0.620472 0.866054 O\n0.315159 0.027535 0.605146 O\n0.912591 0.408366 0.394588 O\n0.087408 0.591633 0.605411 O\n0.027535 0.315159 0.894853 O\n0.591633 0.087408 0.894588 O\n0.972464 0.684840 0.105146 O\n",
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"formula_full": "Al4 Si4 O14",
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{
"id": "jvasp-110935",
"created_at": "2022-09-04T14:38:37.848059Z",
"updated_at": "2022-09-04T14:38:37.848088Z",
"structure_string": "Ga1 Ni3 C1\n1.0\n3.776758 -0.000000 0.000000\n0.000000 3.776758 0.000000\n-0.000000 0.000000 3.776758\nGa Ni C\n1 3 1\ndirect\n0.500000 0.500000 0.500000 Ga\n0.500000 0.000000 -0.000000 Ni\n-0.000000 0.500000 -0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 C\n",
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"spacegroup": 221
},
{
"id": "jvasp-50352",
"created_at": "2022-09-04T14:35:54.739386Z",
"updated_at": "2022-09-04T14:35:54.739412Z",
"structure_string": "Li8 Sn2 B4 O12\n1.0\n3.431616 0.000000 0.000000\n0.000000 8.831281 0.000000\n0.000000 0.000000 9.243509\nLi Sn B O\n8 2 4 12\ndirect\n0.500001 0.807271 0.979310 Li\n0.000000 0.992144 0.808147 Li\n0.500001 0.492144 0.691853 Li\n0.000000 0.307271 0.520690 Li\n0.000000 0.692729 0.479310 Li\n0.500001 0.507856 0.308147 Li\n0.000000 0.007856 0.191853 Li\n0.500001 0.192729 0.020690 Li\n0.000000 0.500000 0.000000 Sn\n0.500001 0.000000 0.500000 Sn\n0.500001 0.760539 0.229918 B\n0.000000 0.260539 0.270082 B\n0.500001 0.239461 0.770082 B\n0.000000 0.739461 0.729918 B\n0.000000 0.225462 0.123542 O\n0.500001 0.361521 0.867620 O\n0.000000 0.774538 0.876458 O\n0.500001 0.094560 0.825676 O\n0.000000 0.594560 0.674325 O\n0.500001 0.274538 0.623542 O\n0.000000 0.861521 0.632380 O\n0.000000 0.138479 0.367620 O\n0.500001 0.725462 0.376458 O\n0.000000 0.405440 0.325676 O\n0.500001 0.905440 0.174324 O\n0.500001 0.638479 0.132380 O\n",
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],
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"volume": 280.129764492304,
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"formula_full": "Li8 Sn2 B4 O12",
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{
"id": "jvasp-36626",
"created_at": "2022-09-04T14:37:04.719938Z",
"updated_at": "2022-09-04T14:37:04.719966Z",
"structure_string": "Cd1 Ge1 O3\n1.0\n3.776724 0.000000 0.000000\n-0.000000 3.776724 0.000000\n-0.000000 -0.000000 3.776724\nCd Ge O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Cd\n0.499999 0.499999 0.499999 Ge\n0.499999 0.499999 0.000000 O\n0.499999 0.000000 0.499999 O\n0.000000 0.499999 0.499999 O\n",
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"formula_full": "Cd1 Ge1 O3",
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}
]
}