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{
"id": "mp-1189075",
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"structure_string": "Zr10 Ge2 Sb6\n1.0\n4.358572 -7.549268 0.000000\n4.358572 7.549268 0.000000\n0.000000 0.000000 5.875659\nZr Ge Sb\n10 2 6\ndirect\n0.666667 0.333333 0.000000 Zr\n0.333333 0.666667 0.000000 Zr\n0.333333 0.666667 0.500000 Zr\n0.666667 0.333333 0.500000 Zr\n0.735334 0.735334 0.750000 Zr\n0.264666 0.000000 0.750000 Zr\n0.000000 0.264666 0.750000 Zr\n0.264666 0.264666 0.250000 Zr\n0.735334 0.000000 0.250000 Zr\n0.000000 0.735334 0.250000 Zr\n0.000000 0.000000 0.000000 Ge\n0.000000 0.000000 0.500000 Ge\n0.394229 0.394229 0.750000 Sb\n0.605771 0.000000 0.750000 Sb\n0.000000 0.605771 0.750000 Sb\n0.605771 0.605771 0.250000 Sb\n0.394229 0.000000 0.250000 Sb\n0.000000 0.394229 0.250000 Sb\n",
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{
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"updated_at": "2021-11-28T01:35:28.612000Z",
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},
{
"id": "mp-1106169",
"created_at": "2022-09-04T14:42:43.774989Z",
"structure_string": "Zr10 Ga6\n1.0\n4.063274 -7.037797 0.000000\n4.063274 7.037797 0.000000\n0.000000 0.000000 5.769419\nZr Ga\n10 6\ndirect\n0.666667 0.333333 0.000000 Zr\n0.333333 0.666667 0.000000 Zr\n0.333333 0.666667 0.500000 Zr\n0.666667 0.333333 0.500000 Zr\n0.758658 0.758658 0.750000 Zr\n0.241342 0.000000 0.750000 Zr\n0.000000 0.241342 0.750000 Zr\n0.241342 0.241342 0.250000 Zr\n0.758658 0.000000 0.250000 Zr\n0.000000 0.758658 0.250000 Zr\n0.393732 0.393732 0.750000 Ga\n0.606268 0.000000 0.750000 Ga\n0.000000 0.606268 0.750000 Ga\n0.606268 0.606268 0.250000 Ga\n0.393732 0.000000 0.250000 Ga\n0.000000 0.393732 0.250000 Ga\n",
"nsites": 16,
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"elements": [
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"density": 6.695985658794352,
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"volume": 329.97035279736883,
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"formula_full": "Zr10 Ga6",
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"spacegroup": 193
},
{
"id": "mp-1215715",
"created_at": "2022-09-04T14:48:21.752369Z",
"structure_string": "Zr10 Ga3 Sb3\n1.0\n-0.000081 -0.000141 -5.721319\n-8.371062 -0.000522 -0.000119\n-4.185080 7.249813 0.000119\nZr Ga Sb\n10 3 3\ndirect\n0.506231 0.333330 0.333327 Zr\n0.506231 0.666673 0.666670 Zr\n0.993775 0.666691 0.666667 Zr\n0.993775 0.333333 0.333309 Zr\n0.750024 0.250031 0.749969 Zr\n0.750028 0.749847 0.000008 Zr\n0.750028 0.999992 0.250153 Zr\n0.249971 0.749941 0.250059 Zr\n0.249981 0.250086 0.999979 Zr\n0.249981 0.000021 0.749914 Zr\n0.750005 0.612305 0.387695 Ga\n0.750014 0.387748 0.000019 Ga\n0.750014 0.999981 0.612252 Ga\n0.249981 0.391864 0.608136 Sb\n0.249980 0.608168 0.000010 Sb\n0.249980 0.999990 0.391832 Sb\n",
"nsites": 16,
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"density": 7.109680206472538,
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"formula_full": "Zr10 Ga3 Sb3",
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"updated_at": "2021-11-28T01:39:03.895000Z",
"spacegroup": 189
},
{
"id": "mp-31207",
"created_at": "2022-09-04T14:47:11.717252Z",
"structure_string": "Zr10 Ga2 Sn6\n1.0\n4.364336 -7.559251 0.000000\n4.364336 7.559251 0.000000\n0.000000 0.000000 5.916084\nZr Ga Sn\n10 2 6\ndirect\n0.000000 0.266721 0.250000 Zr\n0.733279 0.000000 0.750000 Zr\n0.733279 0.733279 0.250000 Zr\n0.666667 0.333333 0.500000 Zr\n0.000000 0.733279 0.750000 Zr\n0.266721 0.266721 0.750000 Zr\n0.333333 0.666667 0.000000 Zr\n0.666667 0.333333 0.000000 Zr\n0.333333 0.666667 0.500000 Zr\n0.266721 0.000000 0.250000 Zr\n0.000000 0.000000 0.000000 Ga\n0.000000 0.000000 0.500000 Ga\n0.612244 0.000000 0.250000 Sn\n0.387756 0.000000 0.750000 Sn\n0.387756 0.387756 0.250000 Sn\n0.000000 0.612244 0.250000 Sn\n0.000000 0.387756 0.750000 Sn\n0.612244 0.612244 0.750000 Sn\n",
"nsites": 18,
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"elements": [
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"volume": 390.35637108097325,
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"formula_full": "Zr10 Ga2 Sn6",
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"spacegroup": 193
},
{
"id": "mp-1189448",
"created_at": "2022-09-04T14:42:17.122965Z",
"structure_string": "Zr10 Ga2 Pb6\n1.0\n4.419274 -7.654407 0.000000\n4.419274 7.654407 0.000000\n0.000000 0.000000 5.995491\nZr Ga Pb\n10 2 6\ndirect\n0.666667 0.333333 0.000000 Zr\n0.333333 0.666667 0.000000 Zr\n0.333333 0.666667 0.500000 Zr\n0.666667 0.333333 0.500000 Zr\n0.737732 0.737732 0.750000 Zr\n0.262268 0.000000 0.750000 Zr\n0.000000 0.262268 0.750000 Zr\n0.262268 0.262268 0.250000 Zr\n0.737732 0.000000 0.250000 Zr\n0.000000 0.737732 0.250000 Zr\n0.000000 0.000000 0.000000 Ga\n0.000000 0.000000 0.500000 Ga\n0.387436 0.387436 0.750000 Pb\n0.612564 0.000000 0.750000 Pb\n0.000000 0.612564 0.750000 Pb\n0.612564 0.612564 0.250000 Pb\n0.387436 0.000000 0.250000 Pb\n0.000000 0.387436 0.250000 Pb\n",
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"elements": [
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"density": 9.394917764845943,
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"formula_full": "Zr10 Ga2 Pb6",
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},
{
"id": "mp-1200150",
"created_at": "2022-09-04T14:41:21.446417Z",
"structure_string": "Zr10 Ga20 Ni10\n1.0\n-6.205814 6.205814 4.070686\n6.205814 -6.205814 4.070686\n6.205814 6.205814 -4.070686\nZr Ga Ni\n10 20 10\ndirect\n0.870921 0.157649 0.286728 Zr\n0.870921 0.584193 0.713272 Zr\n0.584193 0.870921 0.713272 Zr\n0.157649 0.870921 0.286728 Zr\n0.159498 0.159498 0.593189 Zr\n0.566308 0.566308 0.406811 Zr\n0.159498 0.566308 0.000000 Zr\n0.566308 0.159498 0.000000 Zr\n0.935897 0.935897 0.000000 Zr\n0.488847 0.488847 0.000000 Zr\n0.473977 0.967275 0.210902 Ga\n0.756373 0.263075 0.789098 Ga\n0.473977 0.263075 0.506702 Ga\n0.756373 0.967275 0.493298 Ga\n0.263075 0.756373 0.789098 Ga\n0.967275 0.473977 0.210902 Ga\n0.967275 0.756373 0.493298 Ga\n0.263075 0.473977 0.506702 Ga\n0.203916 0.364355 0.160439 Ga\n0.203916 0.043476 0.839561 Ga\n0.043476 0.203916 0.839561 Ga\n0.364355 0.203916 0.160439 Ga\n0.352475 0.734477 0.382002 Ga\n0.352475 0.970473 0.617998 Ga\n0.970473 0.352475 0.617998 Ga\n0.734477 0.352475 0.382002 Ga\n0.579364 0.579364 0.734242 Ga\n0.845122 0.845122 0.265758 Ga\n0.579364 0.845122 0.000000 Ga\n0.845122 0.579364 0.000000 Ga\n0.516529 0.733727 0.217198 Ni\n0.516529 0.299331 0.782802 Ni\n0.299331 0.516529 0.782802 Ni\n0.733727 0.516529 0.217198 Ni\n0.866145 0.866145 0.675631 Ni\n0.190514 0.190514 0.324369 Ni\n0.866145 0.190514 0.000000 Ni\n0.190514 0.866145 0.000000 Ni\n0.100297 0.600297 0.500000 Ni\n0.600297 0.100297 0.500000 Ni\n",
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"formula_full": "Zr10 Ga20 Ni10",
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{
"id": "mp-1201034",
"created_at": "2022-09-04T14:39:06.775378Z",
"structure_string": "Zr10 Ga20 Co10\n1.0\n-6.163745 6.163745 4.084733\n6.163745 -6.163745 4.084733\n6.163745 6.163745 -4.084733\nZr Ga Co\n10 20 10\ndirect\n0.123639 0.406467 0.282828 Zr\n0.123639 0.840811 0.717172 Zr\n0.406467 0.123639 0.282828 Zr\n0.840811 0.123639 0.717172 Zr\n0.836017 0.433589 0.000000 Zr\n0.433589 0.836017 0.000000 Zr\n0.836017 0.836017 0.402428 Zr\n0.433589 0.433589 0.597572 Zr\n0.054170 0.054170 0.000000 Zr\n0.512419 0.512419 0.000000 Zr\n0.526543 0.737998 0.492929 Ga\n0.245069 0.033614 0.507071 Ga\n0.526543 0.033614 0.788546 Ga\n0.245069 0.737998 0.211454 Ga\n0.737998 0.526543 0.492929 Ga\n0.033614 0.245069 0.507071 Ga\n0.033614 0.526543 0.788546 Ga\n0.737998 0.245069 0.211454 Ga\n0.796411 0.958119 0.161709 Ga\n0.796411 0.634702 0.838291 Ga\n0.958119 0.796411 0.161709 Ga\n0.634702 0.796411 0.838291 Ga\n0.647689 0.030354 0.382665 Ga\n0.647689 0.265024 0.617335 Ga\n0.030354 0.647689 0.382665 Ga\n0.265024 0.647689 0.617335 Ga\n0.422018 0.156021 0.000000 Ga\n0.156021 0.422018 0.000000 Ga\n0.422018 0.422018 0.265997 Ga\n0.156021 0.156021 0.734003 Ga\n0.484116 0.700417 0.216301 Co\n0.484116 0.267816 0.783699 Co\n0.700417 0.484116 0.216301 Co\n0.267816 0.484116 0.783699 Co\n0.140587 0.816480 0.000000 Co\n0.816480 0.140587 0.000000 Co\n0.140587 0.140587 0.324107 Co\n0.816480 0.816480 0.675893 Co\n0.897061 0.397061 0.500000 Co\n0.397061 0.897061 0.500000 Co\n",
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{
"id": "mp-1189764",
"created_at": "2022-09-04T14:47:07.549079Z",
"structure_string": "Zr10 Fe2 Sb6\n1.0\n4.336729 -7.511435 0.000000\n4.336729 7.511435 0.000000\n0.000000 0.000000 5.798955\nZr Fe Sb\n10 2 6\ndirect\n0.744330 0.744330 0.750000 Zr\n0.255670 0.000000 0.750000 Zr\n0.000000 0.255670 0.750000 Zr\n0.255670 0.255670 0.250000 Zr\n0.744330 0.000000 0.250000 Zr\n0.000000 0.744330 0.250000 Zr\n0.666667 0.333333 0.000000 Zr\n0.333333 0.666667 0.000000 Zr\n0.333333 0.666667 0.500000 Zr\n0.666667 0.333333 0.500000 Zr\n0.000000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.390951 0.390951 0.750000 Sb\n0.609049 0.000000 0.750000 Sb\n0.000000 0.609049 0.750000 Sb\n0.609049 0.609049 0.250000 Sb\n0.390951 0.000000 0.250000 Sb\n0.000000 0.390951 0.250000 Sb\n",
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},
{
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"structure_string": "Zr10 Cu2 Sn6\n1.0\n4.339390 -7.516044 0.000000\n4.339390 7.516044 0.000000\n0.000000 0.000000 5.876611\nZr Cu Sn\n10 2 6\ndirect\n0.666667 0.333333 0.500000 Zr\n0.333333 0.666667 0.500000 Zr\n0.333333 0.666667 0.000000 Zr\n0.666667 0.333333 0.000000 Zr\n0.734220 0.734220 0.250000 Zr\n0.265780 0.000000 0.250000 Zr\n0.000000 0.265780 0.250000 Zr\n0.265780 0.265780 0.750000 Zr\n0.734220 0.000000 0.750000 Zr\n0.000000 0.734220 0.750000 Zr\n0.000000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.384185 0.384185 0.250000 Sn\n0.615815 0.000000 0.250000 Sn\n0.000000 0.615815 0.250000 Sn\n0.615815 0.615815 0.750000 Sn\n0.384185 0.000000 0.750000 Sn\n0.000000 0.384185 0.750000 Sn\n",
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},
{
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"elements": [
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],
"chemical_system": "Cu-Sb-Zr",
"density": 7.776100275755477,
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},
{
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"structure_string": "Zr10 Cu2 Pb6\n1.0\n4.401675 -7.623924 0.000000\n4.401675 7.623924 0.000000\n0.000000 0.000000 5.943100\nZr Cu Pb\n10 2 6\ndirect\n0.666667 0.333333 0.500000 Zr\n0.333333 0.666667 0.500000 Zr\n0.333333 0.666667 0.000000 Zr\n0.666667 0.333333 0.000000 Zr\n0.741405 0.741405 0.250000 Zr\n0.258595 0.000000 0.250000 Zr\n0.000000 0.258595 0.250000 Zr\n0.258595 0.258595 0.750000 Zr\n0.741405 0.000000 0.750000 Zr\n0.000000 0.741405 0.750000 Zr\n0.000000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.386791 0.386791 0.250000 Pb\n0.613209 0.000000 0.250000 Pb\n0.000000 0.613209 0.250000 Pb\n0.613209 0.613209 0.750000 Pb\n0.386791 0.000000 0.750000 Pb\n0.000000 0.386791 0.750000 Pb\n",
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}
]
}