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{
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{
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"structure_string": "V4 Ga8 O20\n1.0\n-0.000428 5.050665 -0.001521\n-7.573958 0.002571 -6.570500\n-2.471112 -0.001737 6.537220\nV Ga O\n4 8 20\ndirect\n0.499811 0.499900 0.000328 V\n0.499684 0.500227 0.500241 V\n0.999951 0.999877 0.500318 V\n0.999764 0.000178 0.000243 V\n0.003168 0.363779 0.092072 Ga\n0.503158 0.863746 0.592145 Ga\n0.997061 0.364088 0.592547 Ga\n0.497074 0.864001 0.092420 Ga\n0.503000 0.136121 0.908414 Ga\n0.003018 0.636068 0.408297 Ga\n0.497219 0.136475 0.408566 Ga\n0.997192 0.636436 0.908642 Ga\n0.201454 0.000288 0.750803 O\n0.701391 0.500275 0.251049 O\n0.297523 0.499922 0.750151 O\n0.797580 0.999932 0.250340 O\n0.165891 0.411704 0.365912 O\n0.665828 0.911641 0.865801 O\n0.833924 0.411430 0.866691 O\n0.333545 0.911252 0.366726 O\n0.665818 0.088525 0.634548 O\n0.165618 0.588563 0.134629 O\n0.334728 0.088084 0.134515 O\n0.834663 0.587929 0.634379 O\n0.350874 0.318673 0.965836 O\n0.850974 0.818756 0.465904 O\n0.850246 0.181485 0.036002 O\n0.350128 0.681482 0.536229 O\n0.648836 0.319162 0.466351 O\n0.148844 0.819126 0.966375 O\n0.148562 0.180973 0.533598 O\n0.648670 0.681077 0.033682 O\n",
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{
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{
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"structure_string": "Ti3 Cu3 P6 O24\n1.0\n7.427545 -4.305725 0.000000\n7.427545 4.305725 0.000000\n4.931530 0.000000 7.027639\nTi Cu P O\n3 3 6 24\ndirect\n0.643415 0.643415 0.643415 Ti\n0.857346 0.857346 0.857346 Ti\n0.356658 0.356658 0.356658 Ti\n0.002750 0.002750 0.002750 Cu\n0.144792 0.144792 0.144792 Cu\n0.500539 0.500539 0.500539 Cu\n0.539085 0.958866 0.248436 P\n0.248436 0.539085 0.958866 P\n0.958866 0.248436 0.539085 P\n0.042102 0.753238 0.455154 P\n0.753238 0.455154 0.042102 P\n0.455154 0.042102 0.753238 P\n0.306292 0.497836 0.124099 O\n0.124099 0.306292 0.497836 O\n0.497836 0.124099 0.306292 O\n0.735852 0.944295 0.084359 O\n0.383668 0.985090 0.194725 O\n0.563169 0.766036 0.415728 O\n0.084359 0.735852 0.944295 O\n0.415728 0.563169 0.766036 O\n0.999223 0.808845 0.621943 O\n0.766036 0.415728 0.563169 O\n0.051695 0.916315 0.263579 O\n0.808845 0.621943 0.999223 O\n0.194725 0.383668 0.985090 O\n0.944295 0.084359 0.735852 O\n0.233766 0.584952 0.443861 O\n0.985090 0.194725 0.383668 O\n0.584952 0.443861 0.233766 O\n0.916315 0.263579 0.051695 O\n0.443861 0.233766 0.584952 O\n0.621943 0.999223 0.808845 O\n0.263579 0.051695 0.916315 O\n0.502686 0.878659 0.690934 O\n0.878659 0.690934 0.502686 O\n0.690934 0.502686 0.878659 O\n",
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{
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"structure_string": "V3 Sb1 P6 O24\n1.0\n7.659705 -4.288014 0.000000\n7.659705 4.288014 0.000000\n5.259213 0.000000 7.028429\nV Sb P O\n3 1 6 24\ndirect\n0.141953 0.141953 0.141953 V\n0.358506 0.358506 0.358506 V\n0.640723 0.640723 0.640723 V\n0.857502 0.857502 0.857502 Sb\n0.033468 0.460882 0.750518 P\n0.460882 0.750518 0.033468 P\n0.750518 0.033468 0.460882 P\n0.252663 0.966179 0.531469 P\n0.531469 0.252663 0.966179 P\n0.966179 0.531469 0.252663 P\n0.140256 0.500495 0.283112 O\n0.283112 0.140256 0.500495 O\n0.061439 0.283750 0.924762 O\n0.500495 0.283112 0.140256 O\n0.216360 0.431414 0.574477 O\n0.020154 0.636503 0.768210 O\n0.283750 0.924762 0.061439 O\n0.431414 0.574477 0.216360 O\n0.574477 0.216360 0.431414 O\n0.217313 0.994211 0.364179 O\n0.076855 0.945352 0.718588 O\n0.364179 0.217313 0.994211 O\n0.636503 0.768210 0.020154 O\n0.924762 0.061439 0.283750 O\n0.768210 0.020154 0.636503 O\n0.424813 0.786121 0.559386 O\n0.559386 0.424813 0.786121 O\n0.718588 0.076855 0.945352 O\n0.994211 0.364179 0.217313 O\n0.786121 0.559386 0.424813 O\n0.494983 0.723475 0.859926 O\n0.945352 0.718588 0.076855 O\n0.723475 0.859926 0.494983 O\n0.859926 0.494983 0.723475 O\n",
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"formula_full": "V3 Sb1 P6 O24",
"formula_reduced": "V3Sb(PO4)6",
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"spacegroup": 146
},
{
"id": "mp-756473",
"created_at": "2022-09-04T14:45:22.231224Z",
"structure_string": "W2 S2 Cl8\n1.0\n6.708660 0.000000 0.000000\n-0.452264 7.933761 0.000000\n-0.582257 -1.609550 7.888647\nW S Cl\n2 2 8\ndirect\n0.141591 0.212749 0.760078 W\n0.858409 0.787251 0.239922 W\n0.320301 0.270933 0.991762 S\n0.679699 0.729067 0.008238 S\n0.829517 0.141712 0.838675 Cl\n0.832578 0.079032 0.329180 Cl\n0.361086 0.253551 0.563547 Cl\n0.018914 0.469489 0.727098 Cl\n0.981086 0.530511 0.272902 Cl\n0.638914 0.746449 0.436453 Cl\n0.167422 0.920968 0.670820 Cl\n0.170483 0.858288 0.161325 Cl\n",
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],
"chemical_system": "Cl-S-W",
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"volume": 419.8724877077913,
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"formula_full": "W2 S2 Cl8",
"formula_reduced": "WSCl4",
"formula_anonymous": "ABC4",
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"updated_at": "2021-11-28T01:37:08.194000Z",
"spacegroup": 2
},
{
"id": "mp-756474",
"created_at": "2022-09-04T14:47:14.109477Z",
"structure_string": "Rb12 Y4 O12\n1.0\n7.400602 0.000000 0.000000\n0.000000 8.012421 0.000000\n0.000000 0.804547 11.769090\nRb Y O\n12 4 12\ndirect\n0.331730 0.358035 0.079379 Rb\n0.621550 0.930517 0.155665 Rb\n0.803708 0.375414 0.192054 Rb\n0.303708 0.624586 0.307946 Rb\n0.121550 0.069483 0.344335 Rb\n0.831730 0.641965 0.420621 Rb\n0.168270 0.358035 0.579379 Rb\n0.878450 0.930517 0.655665 Rb\n0.696292 0.375414 0.692054 Rb\n0.196292 0.624586 0.807946 Rb\n0.378450 0.069483 0.844335 Rb\n0.668270 0.641965 0.920621 Rb\n0.089697 0.837356 0.067449 Y\n0.589697 0.162644 0.432551 Y\n0.410303 0.837356 0.567449 Y\n0.910303 0.162644 0.932551 Y\n0.356618 0.745423 0.043453 O\n0.049903 0.107165 0.096903 O\n0.941083 0.688517 0.190129 O\n0.441083 0.311483 0.309871 O\n0.549903 0.892835 0.403097 O\n0.856618 0.254577 0.456547 O\n0.143382 0.745423 0.543453 O\n0.450097 0.107165 0.596903 O\n0.558917 0.688517 0.690129 O\n0.058917 0.311483 0.809871 O\n0.950097 0.892835 0.903097 O\n0.643382 0.254577 0.956547 O\n",
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],
"chemical_system": "O-Rb-Y",
"density": 3.743411484526229,
"density_atomic": 0.040122163013046434,
"volume": 697.868656555114,
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"formula_full": "Rb12 Y4 O12",
"formula_reduced": "Rb3YO3",
"formula_anonymous": "AB3C3",
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"updated_at": "2021-11-28T01:38:03.214000Z",
"spacegroup": 14
}
]
}