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{
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"results": [
{
"id": "jvasp-13950",
"created_at": "2022-09-04T14:37:49.529350Z",
"updated_at": "2022-09-04T14:37:49.529383Z",
"structure_string": "Be2 Br4\n1.0\n5.026090 0.000000 -2.360665\n-1.097292 4.822474 -2.336243\n-0.020829 0.035674 6.486509\nBe Br\n2 4\ndirect\n0.250000 -0.000000 0.000000 Be\n0.750000 -0.000000 0.000001 Be\n0.116127 0.335487 0.232253 Br\n0.883873 0.664511 0.767747 Br\n0.383873 0.103233 0.767747 Br\n0.616127 0.896765 0.232254 Br\n",
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{
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"structure_string": "Li2 Mg4\n1.0\n-3.430257 -0.005489 0.003056\n1.706957 5.442680 -0.003652\n-0.002450 -2.321711 -6.712345\nLi Mg\n2 4\ndirect\n0.298864 0.597702 0.620135 Li\n0.645621 0.291201 0.768756 Li\n0.980016 0.960034 0.925270 Mg\n0.304639 0.609329 0.097118 Mg\n0.639763 0.279543 0.291752 Mg\n0.964427 0.928857 0.463633 Mg\n",
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{
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"structure_string": "Si8 O16\n1.0\n5.625475 -0.000000 -1.387830\n-0.342384 5.615046 -1.387830\n0.001064 0.001131 12.099472\nSi O\n8 16\ndirect\n0.433119 0.310080 0.122928 Si\n0.316882 0.437152 0.377072 Si\n0.562849 0.683119 0.622928 Si\n0.689921 0.566882 0.877072 Si\n0.060192 0.939921 0.377072 Si\n0.689809 0.812849 0.122928 Si\n0.060080 0.939809 0.622928 Si\n0.187152 0.310192 0.877072 Si\n0.775958 0.775957 0.000000 O\n0.192762 0.692762 0.385522 O\n0.814672 0.814672 0.629343 O\n0.935329 0.435329 0.870657 O\n0.525957 0.474044 0.500000 O\n0.442761 0.442761 0.885522 O\n0.185329 0.185329 0.370657 O\n0.142246 0.125000 0.750000 O\n0.224044 0.224044 0.000000 O\n0.557240 0.557239 0.114478 O\n0.307239 0.807239 0.614478 O\n0.875001 0.857755 0.250000 O\n0.974044 0.025956 0.500000 O\n0.564672 0.064671 0.129343 O\n0.375000 0.392246 0.250000 O\n0.607755 0.625000 0.750000 O\n",
"nsites": 24,
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"elements": [
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"O"
],
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"density": 2.0883394284626657,
"density_atomic": 0.06279314561643998,
"volume": 382.2073215856942,
"volume_molar": 9.59044287538182,
"formula_full": "Si8 O16",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
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"spacegroup": 98
},
{
"id": "jvasp-19662",
"created_at": "2022-09-04T14:37:37.862483Z",
"updated_at": "2022-09-04T14:37:37.862509Z",
"structure_string": "Si1 Pt2\n1.0\n3.475002 0.000000 -1.918380\n-1.059044 3.309693 -1.918380\n0.013721 0.018797 4.131398\nSi Pt\n1 2\ndirect\n0.000000 0.000000 0.000000 Si\n0.750000 0.250000 0.500000 Pt\n0.250000 0.750000 0.500000 Pt\n",
"nsites": 3,
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"elements": [
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"density": 14.539995946172198,
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"volume": 47.76660729915982,
"volume_molar": 9.58857442610613,
"formula_full": "Si1 Pt2",
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"spacegroup": 139
},
{
"id": "jvasp-30465",
"created_at": "2022-09-04T14:37:57.901745Z",
"updated_at": "2022-09-04T14:37:57.901761Z",
"structure_string": "Sm4 Mg2\n1.0\n3.738507 -0.000000 0.000000\n1.869254 8.612830 0.000000\n0.000000 0.000000 5.536861\nSm Mg\n4 2\ndirect\n0.979258 0.041488 0.000000 Sm\n0.660614 0.678773 0.000000 Sm\n0.798522 0.402956 0.499999 Sm\n0.117162 0.765671 0.499999 Sm\n0.321230 0.357537 0.000000 Mg\n0.456545 0.086908 0.499999 Mg\n",
"nsites": 6,
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"Mg"
],
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"volume": 178.28208080210393,
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"formula_full": "Sm4 Mg2",
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"spacegroup": 63
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{
"id": "jvasp-19961",
"created_at": "2022-09-04T14:37:42.839342Z",
"updated_at": "2022-09-04T14:37:42.839354Z",
"structure_string": "U1 Hg2\n1.0\n2.577011 -4.463513 0.000000\n2.577011 4.463513 -0.000000\n-0.000000 0.000000 3.022810\nU Hg\n1 2\ndirect\n0.000000 0.000000 0.000000 U\n0.333333 0.666667 0.500000 Hg\n0.666667 0.333333 0.500000 Hg\n",
"nsites": 3,
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"elements": [
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"density": 15.263635809424725,
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"volume": 69.53987765604373,
"volume_molar": 13.959297722595807,
"formula_full": "U1 Hg2",
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"spacegroup": 191
},
{
"id": "jvasp-21903",
"created_at": "2022-09-04T14:37:42.759439Z",
"updated_at": "2022-09-04T14:37:42.759463Z",
"structure_string": "Sc4 Zn8\n1.0\n2.633971 -4.562171 -0.000000\n2.633971 4.562171 0.000000\n0.000000 -0.000000 8.430183\nSc Zn\n4 8\ndirect\n0.333333 0.666667 0.438000 Sc\n0.666667 0.333333 0.938000 Sc\n0.666667 0.333333 0.562000 Sc\n0.333333 0.666667 0.062000 Sc\n0.000000 0.000000 0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n0.171422 0.828577 0.750000 Zn\n0.828577 0.657156 0.250000 Zn\n0.342844 0.171422 0.250000 Zn\n0.657156 0.828577 0.750000 Zn\n0.171422 0.342844 0.750000 Zn\n0.828577 0.171422 0.250000 Zn\n",
"nsites": 12,
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"elements": [
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],
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"density": 5.762540101766549,
"density_atomic": 0.05922863167540262,
"volume": 202.60471431730787,
"volume_molar": 10.167617568820127,
"formula_full": "Sc4 Zn8",
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"spacegroup": 194
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{
"id": "jvasp-29612",
"created_at": "2022-09-04T14:38:02.158799Z",
"updated_at": "2022-09-04T14:38:02.158826Z",
"structure_string": "Cd8 I16\n1.0\n4.286555 -0.000000 0.000000\n-2.143277 3.712265 -0.000000\n0.000000 0.000000 55.049250\nCd I\n8 16\ndirect\n0.333333 0.666668 0.531262 Cd\n0.666666 0.333333 0.906326 Cd\n0.333333 0.666668 0.781273 Cd\n0.666666 0.333333 0.031141 Cd\n0.666666 0.333333 0.406302 Cd\n0.000000 0.000000 0.156051 Cd\n0.666666 0.333333 0.656287 Cd\n0.333333 0.666668 0.281414 Cd\n0.666666 0.333333 0.312894 I\n0.000000 0.000000 0.874808 I\n0.333333 0.666668 0.937808 I\n0.333333 0.666668 0.437785 I\n0.000000 0.000000 0.624766 I\n0.666666 0.333333 0.562749 I\n0.333333 0.666668 0.187536 I\n0.000000 0.000000 0.249919 I\n0.333333 0.666668 0.062644 I\n0.000000 0.000000 0.374790 I\n0.000000 0.000000 0.499746 I\n0.666666 0.333333 0.124558 I\n0.333333 0.666668 0.687773 I\n0.000000 0.000000 -0.000350 I\n0.666666 0.333333 0.812763 I\n0.000000 0.000000 0.749754 I\n",
"nsites": 24,
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"elements": [
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"I"
],
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"density": 5.55369843512724,
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"volume": 875.9892521229059,
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"formula_full": "Cd8 I16",
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"spacegroup": 156
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{
"id": "jvasp-19950",
"created_at": "2022-09-04T14:37:42.652765Z",
"updated_at": "2022-09-04T14:37:42.652788Z",
"structure_string": "Sm2 Fe4\n1.0\n4.478230 -0.000000 2.585507\n1.492744 4.222116 2.585507\n0.000000 0.000000 5.171015\nSm Fe\n2 4\ndirect\n0.874999 0.875001 0.875002 Sm\n0.125000 0.125000 0.125000 Sm\n0.499999 0.500001 0.500001 Fe\n0.499999 0.500001 0.000001 Fe\n-0.000001 0.500001 0.500001 Fe\n0.500000 -0.000000 0.500001 Fe\n",
"nsites": 6,
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"density": 8.901248047130046,
"density_atomic": 0.06136756576762088,
"volume": 97.77151700492828,
"volume_molar": 9.813230628706863,
"formula_full": "Sm2 Fe4",
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"spacegroup": 227
},
{
"id": "jvasp-56263",
"created_at": "2022-09-04T14:37:37.821406Z",
"updated_at": "2022-09-04T14:37:37.821427Z",
"structure_string": "Yb8 Tl4\n1.0\n5.209060 -0.000000 0.000000\n-0.000000 7.066256 0.000000\n0.000000 0.000000 9.692008\nYb Tl\n8 4\ndirect\n0.250000 0.672135 0.568434 Yb\n0.750000 0.327866 0.431566 Yb\n0.750000 0.969331 0.699643 Yb\n0.250000 0.030670 0.300357 Yb\n0.250000 0.172134 0.931566 Yb\n0.750000 0.827866 0.068434 Yb\n0.750000 0.469330 0.800357 Yb\n0.250000 0.530670 0.199643 Yb\n0.250000 0.226124 0.609362 Tl\n0.750000 0.273876 0.109362 Tl\n0.250000 0.726124 0.890638 Tl\n0.750000 0.773877 0.390638 Tl\n",
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"density": 10.248845993524185,
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"volume": 356.7487754063689,
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},
{
"id": "jvasp-35942",
"created_at": "2022-09-04T14:37:43.389744Z",
"updated_at": "2022-09-04T14:37:43.389768Z",
"structure_string": "Li2 O4\n1.0\n2.887142 0.000000 0.000000\n0.000000 3.916424 0.000000\n0.000000 -0.000000 4.860793\nLi O\n2 4\ndirect\n0.500000 0.499999 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.500000 0.631940 0.088764 O\n0.500000 0.368059 0.911235 O\n0.000000 0.131940 0.411236 O\n0.000000 0.868059 0.588764 O\n",
"nsites": 6,
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},
{
"id": "jvasp-581",
"created_at": "2022-09-04T14:37:57.993952Z",
"updated_at": "2022-09-04T14:37:57.993979Z",
"structure_string": "Nb1 Se2\n1.0\n1.752717 -3.035794 0.000000\n1.752717 3.035794 0.000000\n0.000000 0.000000 6.316721\nNb Se\n1 2\ndirect\n0.000000 0.000000 0.000000 Nb\n0.666668 0.333334 0.264772 Se\n0.333334 0.666668 0.735228 Se\n",
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}
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}