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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density_atomic&page=707",
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"results": [
{
"id": "jvasp-57143",
"created_at": "2022-09-04T14:38:35.336017Z",
"updated_at": "2022-09-04T14:38:35.336043Z",
"structure_string": "Na4 C12 O12\n1.0\n6.605506 0.065953 -1.920671\n-3.017402 5.876423 -1.920671\n-0.006723 -0.011134 8.169239\nNa C O\n4 12 12\ndirect\n0.228978 0.771022 0.250000 Na\n0.478979 0.521022 0.750000 Na\n0.771023 0.228978 0.750000 Na\n0.521022 0.478978 0.250000 Na\n0.021611 0.771610 0.543221 C\n0.022744 0.759733 0.852810 C\n0.093077 0.330066 0.352810 C\n0.977257 0.240267 0.147191 C\n0.669934 0.906922 0.147191 C\n0.771610 0.021610 0.043220 C\n0.240268 0.977256 0.647191 C\n0.330067 0.093077 0.852810 C\n0.759733 0.022743 0.352810 C\n0.906924 0.669934 0.647191 C\n0.228391 0.978390 0.956780 C\n0.978391 0.228390 0.456780 C\n0.500229 0.716618 0.061885 O\n0.938345 0.654733 0.938115 O\n0.683650 0.933649 0.867299 O\n0.499772 0.283382 0.938115 O\n0.654734 0.938343 0.438115 O\n0.716619 0.500229 0.561885 O\n0.283382 0.499771 0.438115 O\n0.066351 0.316351 0.632702 O\n0.345268 0.061657 0.561885 O\n0.061657 0.345267 0.061885 O\n0.933650 0.683649 0.367298 O\n0.316351 0.066351 0.132702 O\n",
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{
"id": "jvasp-69962",
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"structure_string": "Be2 Tc1 Rh1\n1.0\n-1.641576 1.641576 4.220528\n1.641576 -1.641576 4.220528\n1.641576 1.641576 -4.220528\nBe Tc Rh\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.750001 0.500001 Be\n0.750001 0.250000 0.500001 Tc\n0.500000 0.500000 0.000000 Rh\n",
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],
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"density_atomic": 0.08792476699102426,
"volume": 45.49343873050397,
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"formula_full": "Be2 Tc1 Rh1",
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"spacegroup": 119
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{
"id": "jvasp-109674",
"created_at": "2022-09-04T14:38:19.833483Z",
"updated_at": "2022-09-04T14:38:19.833506Z",
"structure_string": "Ti3 B4 Mo3\n1.0\n5.994195 -0.001784 0.000000\n-0.054515 5.993948 0.000000\n-0.000000 -0.000000 3.165637\nTi B Mo\n3 4 3\ndirect\n0.499785 0.001318 -0.000000 Ti\n0.998684 0.500216 -0.000000 Ti\n0.824129 0.175873 0.500000 Ti\n0.392014 0.607988 -0.000000 B\n0.607572 0.392429 -0.000000 B\n0.107314 0.107456 -0.000000 B\n0.892545 0.892687 -0.000000 B\n0.179690 0.820311 0.500000 Mo\n0.676844 0.678571 0.500000 Mo\n0.321430 0.323158 0.500000 Mo\n",
"nsites": 10,
"nelements": 3,
"elements": [
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"B",
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"density": 6.929988778385223,
"density_atomic": 0.087921729858065,
"volume": 113.7375255939952,
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"formula_full": "Ti3 B4 Mo3",
"formula_reduced": "Ti3B4Mo3",
"formula_anonymous": "A3B3C4",
"energy_above_hull": 5.608033303333333,
"spacegroup": 38
},
{
"id": "jvasp-70597",
"created_at": "2022-09-04T14:35:48.369596Z",
"updated_at": "2022-09-04T14:35:48.369619Z",
"structure_string": "Be2 V1 Re1\n1.0\n-1.715433 1.715433 3.865140\n1.715433 -1.715433 3.865140\n1.715433 1.715433 -3.865140\nBe V Re\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.749999 0.250000 0.499999 Be\n0.250000 0.749999 0.499999 V\n0.500000 0.500000 0.000000 Re\n",
"nsites": 4,
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"volume_molar": 6.8495754260125805,
"formula_full": "Be2 V1 Re1",
"formula_reduced": "Be2VRe",
"formula_anonymous": "ABC2",
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"spacegroup": 119
},
{
"id": "jvasp-43199",
"created_at": "2022-09-04T14:37:46.393527Z",
"updated_at": "2022-09-04T14:37:46.393550Z",
"structure_string": "Li4 Mn4 V4 O16\n1.0\n4.931920 0.000000 0.000000\n-0.000000 6.162467 0.000000\n0.000000 0.000000 10.478681\nLi Mn V O\n4 4 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.977085 0.250000 0.728616 Mn\n0.522915 0.250000 0.228616 Mn\n0.477085 0.750000 0.771384 Mn\n0.022915 0.750000 0.271384 Mn\n0.574641 0.750000 0.088977 V\n0.925360 0.750000 0.588977 V\n0.074641 0.250000 0.411023 V\n0.425360 0.250000 0.911022 V\n0.220497 0.750000 0.093990 O\n0.279503 0.750000 0.593990 O\n0.709639 0.750000 0.936083 O\n0.790361 0.750000 0.436083 O\n0.775078 0.526079 0.664034 O\n0.724922 0.526079 0.164034 O\n0.224922 0.473922 0.335966 O\n0.224922 0.026079 0.335966 O\n0.290361 0.250000 0.063917 O\n0.720497 0.250000 0.406009 O\n0.779503 0.250000 0.906009 O\n0.209639 0.250000 0.563917 O\n0.775078 0.973922 0.664034 O\n0.275078 0.026079 0.835966 O\n0.275078 0.473922 0.835966 O\n0.724922 0.973922 0.164034 O\n",
"nsites": 28,
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"elements": [
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],
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"density": 3.6877262051980333,
"density_atomic": 0.08791860365802655,
"volume": 318.4763956091759,
"volume_molar": 6.849677439628225,
"formula_full": "Li4 Mn4 V4 O16",
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"formula_anonymous": "ABCD4",
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"spacegroup": 62
},
{
"id": "jvasp-104716",
"created_at": "2022-09-04T14:37:00.082548Z",
"updated_at": "2022-09-04T14:37:00.082572Z",
"structure_string": "Mn1 Al1 Fe1 Co1\n1.0\n3.470272 -0.000000 2.003562\n1.156757 3.271804 2.003562\n-0.000000 -0.000000 4.007125\nMn Al Fe Co\n1 1 1 1\ndirect\n0.500000 0.499999 0.499999 Mn\n0.000000 0.000000 0.000000 Al\n0.750000 0.749999 0.749998 Fe\n0.250000 0.250000 0.249999 Co\n",
"nsites": 4,
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"elements": [
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"Fe",
"Co"
],
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"density": 7.17901510886371,
"density_atomic": 0.0879176975487905,
"volume": 45.497096847653154,
"volume_molar": 6.849748034697989,
"formula_full": "Mn1 Al1 Fe1 Co1",
"formula_reduced": "MnAlFeCo",
"formula_anonymous": "ABCD",
"energy_above_hull": 3.092356610344828,
"spacegroup": 216
},
{
"id": "jvasp-11323",
"created_at": "2022-09-04T14:37:16.738331Z",
"updated_at": "2022-09-04T14:37:16.738345Z",
"structure_string": "Ti3 Zn2 O8\n1.0\n4.659840 -0.336335 -2.079776\n-0.884990 5.259819 -2.833466\n-0.648888 -0.086285 6.479391\nTi Zn O\n3 2 8\ndirect\n0.500000 0.999999 -0.000001 Ti\n0.999999 0.734174 -0.000002 Ti\n0.999999 0.265824 -0.000001 Ti\n0.715359 0.685531 0.371061 Zn\n0.284639 0.314469 0.628937 Zn\n0.005152 0.389581 0.779165 O\n0.994847 0.610416 0.220833 O\n0.028055 0.889373 0.778747 O\n0.971944 0.110624 0.221250 O\n0.454867 0.338049 0.212711 O\n0.454867 0.874661 0.212710 O\n0.545133 0.125336 0.787287 O\n0.545133 0.661949 0.787287 O\n",
"nsites": 13,
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"elements": [
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"Zn",
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],
"chemical_system": "O-Ti-Zn",
"density": 4.519125040030398,
"density_atomic": 0.08791749706213428,
"volume": 147.86590194682702,
"volume_molar": 6.849763654831926,
"formula_full": "Ti3 Zn2 O8",
"formula_reduced": "Ti3Zn2O8",
"formula_anonymous": "A2B3C8",
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"spacegroup": 12
},
{
"id": "jvasp-102732",
"created_at": "2022-09-04T14:36:56.439590Z",
"updated_at": "2022-09-04T14:36:56.439625Z",
"structure_string": "La2 Co1 Ni1 O6\n1.0\n4.730935 0.008242 2.570839\n1.532601 4.475818 2.570839\n0.011512 0.008242 5.384313\nLa Co Ni O\n2 1 1 6\ndirect\n0.250090 0.250090 0.250091 La\n0.749909 0.749909 0.749910 La\n0.499999 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Ni\n0.689078 0.805929 0.253757 O\n0.253755 0.689079 0.805930 O\n0.805928 0.253755 0.689079 O\n0.746243 0.310921 0.194071 O\n0.194070 0.746244 0.310922 O\n0.310921 0.194070 0.746244 O\n",
"nsites": 10,
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"elements": [
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"Ni",
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],
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"density": 7.174417066414087,
"density_atomic": 0.08791690272635068,
"volume": 113.74377042291748,
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"formula_full": "La2 Co1 Ni1 O6",
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"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.45543443,
"spacegroup": 148
},
{
"id": "jvasp-116257",
"created_at": "2022-09-04T14:38:42.114328Z",
"updated_at": "2022-09-04T14:38:42.114348Z",
"structure_string": "Mg1 Al1 O2\n1.0\n2.817555 0.000000 0.000000\n0.000000 2.817555 -0.000000\n0.000000 -0.000000 5.731287\nMg Al O\n1 1 2\ndirect\n0.499999 0.499999 0.481675 Mg\n0.000000 0.000000 0.063421 Al\n0.000000 0.000000 0.391646 O\n0.499999 0.499999 0.073260 O\n",
"nsites": 4,
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"volume": 45.498487699104366,
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"formula_full": "Mg1 Al1 O2",
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"spacegroup": 99
},
{
"id": "jvasp-116885",
"created_at": "2022-09-04T14:38:45.262752Z",
"updated_at": "2022-09-04T14:38:45.262775Z",
"structure_string": "Cd4 Co4 O12\n1.0\n5.031875 -0.062648 -0.326394\n0.378974 6.690179 -0.699955\n0.097260 0.095656 6.737125\nCd Co O\n4 4 12\ndirect\n0.789225 0.191212 0.601332 Cd\n0.289261 0.398586 0.808767 Cd\n0.710748 0.601414 0.191223 Cd\n0.210784 0.808799 0.398670 Cd\n0.249989 0.245727 0.245737 Co\n0.249999 0.922420 0.922419 Co\n0.750008 0.754273 0.754263 Co\n0.749995 0.077583 0.077578 Co\n0.454512 0.686883 0.889603 O\n0.954497 0.110338 0.313088 O\n0.129216 0.500648 0.249991 O\n0.629272 0.750103 0.499375 O\n0.370726 0.249873 0.500627 O\n0.070156 0.173579 0.980146 O\n0.429850 0.980082 0.173539 O\n0.929842 0.826425 0.019853 O\n0.545478 0.313123 0.110401 O\n0.570143 0.019920 0.826457 O\n0.870782 0.499353 0.750035 O\n0.045500 0.889664 0.686914 O\n",
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"volume": 227.50122349766218,
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"formula_full": "Cd4 Co4 O12",
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"formula_anonymous": "ABC3",
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},
{
"id": "jvasp-48538",
"created_at": "2022-09-04T14:37:13.797209Z",
"updated_at": "2022-09-04T14:37:13.797230Z",
"structure_string": "Li1 V2 O1 F5\n1.0\n5.035143 -0.009012 -0.000825\n-2.434206 4.433112 -0.001531\n-2.476263 -1.472337 4.592067\nLi V O F\n1 2 1 5\ndirect\n0.701044 0.346073 0.082901 Li\n0.322815 0.678837 0.985401 V\n0.323163 0.150809 0.455293 V\n0.415336 0.009301 0.218742 O\n0.233147 0.297984 0.748107 F\n0.152979 0.397692 0.216275 F\n0.813111 0.532870 0.719631 F\n0.477890 0.939383 0.750469 F\n0.814346 0.757583 0.236335 F\n",
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"density": 3.5653714782012114,
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"volume": 102.37701399156455,
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"formula_anonymous": "ABC2D5",
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"spacegroup": 1
},
{
"id": "jvasp-91509",
"created_at": "2022-09-04T14:35:57.767326Z",
"updated_at": "2022-09-04T14:35:57.767347Z",
"structure_string": "V8 Cd4 O24\n1.0\n4.926935 -0.000000 0.000000\n0.000000 5.814406 0.000000\n0.000000 0.000000 14.295457\nV Cd O\n8 4 24\ndirect\n0.231645 0.186542 0.667140 V\n0.231645 0.686542 0.832860 V\n0.731644 0.313457 0.832860 V\n0.268355 0.186542 0.332860 V\n0.268355 0.686542 0.167140 V\n0.768354 0.313457 0.167140 V\n0.731644 0.813459 0.667140 V\n0.768354 0.813459 0.332860 V\n0.749999 0.783992 0.000000 Cd\n0.250000 0.716009 0.500000 Cd\n0.250000 0.216009 0.000000 Cd\n0.749999 0.283991 0.500000 Cd\n0.902240 0.149330 0.746537 O\n0.402241 0.350670 0.753463 O\n0.617090 0.617360 0.590291 O\n0.882908 0.117359 0.090291 O\n0.097759 0.850670 0.253463 O\n0.402241 0.850670 0.746537 O\n0.617090 0.117359 0.909709 O\n0.975115 0.578844 0.106190 O\n0.524884 0.578844 0.893811 O\n0.024884 0.421157 0.893811 O\n0.475115 0.921157 0.393810 O\n0.524884 0.078843 0.606190 O\n0.117091 0.382641 0.590291 O\n0.097759 0.350670 0.246537 O\n0.975115 0.078843 0.393810 O\n0.117091 0.882642 0.909709 O\n0.597758 0.649331 0.246537 O\n0.024884 0.921157 0.606190 O\n0.475115 0.421157 0.106190 O\n0.382909 0.382641 0.409709 O\n0.382909 0.882642 0.090291 O\n0.902240 0.649331 0.753463 O\n0.882908 0.617360 0.409709 O\n0.597758 0.149330 0.253463 O\n",
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],
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"volume": 409.5248218546895,
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"formula_full": "V8 Cd4 O24",
"formula_reduced": "V2CdO6",
"formula_anonymous": "AB2C6",
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"spacegroup": 60
}
]
}