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{
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"results": [
{
"id": "jvasp-29499",
"created_at": "2022-09-04T14:37:53.446089Z",
"updated_at": "2022-09-04T14:37:53.446106Z",
"structure_string": "Cd2 Bi2 S4 Br2\n1.0\n4.058357 -0.000000 0.000000\n-2.029178 6.541732 -0.148550\n0.000000 -0.041374 9.562708\nCd Bi S Br\n2 2 4 2\ndirect\n0.000000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.279031 0.558062 0.698607 Bi\n0.720970 0.441939 0.301394 Bi\n0.355630 0.711259 0.444774 S\n0.918481 0.836962 0.745438 S\n0.644371 0.288742 0.555227 S\n0.081519 0.163038 0.254562 S\n0.359340 0.718679 0.071206 Br\n0.640661 0.281321 0.928794 Br\n",
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{
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"structure_string": "Ba2 Nd1 Bi1 O6\n1.0\n5.404410 0.005444 -3.068074\n-3.590534 5.072237 -0.035251\n0.018088 0.003748 6.252432\nBa Nd Bi O\n2 1 1 6\ndirect\n0.007373 0.751736 0.759108 Ba\n0.992628 0.248264 0.240893 Ba\n0.500000 -0.000000 0.500000 Nd\n0.500000 0.500000 0.000001 Bi\n0.425602 0.261324 0.686926 O\n0.574400 0.738676 0.313075 O\n0.020191 0.299136 0.803330 O\n0.979810 0.700864 0.196671 O\n0.495814 0.216864 0.196676 O\n0.504187 0.783136 0.803325 O\n",
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"formula_full": "Ba2 Nd1 Bi1 O6",
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"spacegroup": 12
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{
"id": "jvasp-41383",
"created_at": "2022-09-04T14:37:53.701710Z",
"updated_at": "2022-09-04T14:37:53.701743Z",
"structure_string": "Mg1 H8 Cl2 O12\n1.0\n2.256071 0.000000 -5.659391\n-5.552464 -3.910122 0.076741\n-5.552464 3.910122 0.076741\nMg H Cl O\n1 8 2 12\ndirect\n0.000000 0.000000 0.000000 Mg\n0.751232 0.247816 0.044580 H\n0.751232 0.044580 0.247816 H\n0.865408 0.617841 0.280744 H\n0.134591 0.719255 0.382158 H\n0.865408 0.280744 0.617841 H\n0.134591 0.382158 0.719255 H\n0.248768 0.955419 0.752184 H\n0.248768 0.752184 0.955419 H\n0.404697 0.301882 0.301882 Cl\n0.595304 0.698117 0.698117 Cl\n0.683265 0.506772 0.810315 O\n0.000001 0.257716 0.742284 O\n0.333694 0.641053 0.641053 O\n0.683265 0.810315 0.506772 O\n0.316734 0.189684 0.493228 O\n0.818237 0.121680 0.121680 O\n0.000001 0.742284 0.257716 O\n0.316734 0.493228 0.189684 O\n0.337258 0.159481 0.159481 O\n0.662743 0.840520 0.840520 O\n0.666307 0.358946 0.358946 O\n0.181762 0.878320 0.878320 O\n",
"nsites": 23,
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"elements": [
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],
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"density": 2.00626434743074,
"density_atomic": 0.09411341053319856,
"volume": 244.386000567759,
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"formula_full": "Mg1 H8 Cl2 O12",
"formula_reduced": "MgH8(ClO6)2",
"formula_anonymous": "AB2C8D12",
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"spacegroup": 12
},
{
"id": "jvasp-35531",
"created_at": "2022-09-04T14:37:54.715942Z",
"updated_at": "2022-09-04T14:37:54.715963Z",
"structure_string": "Cr2 Fe1 Te4\n1.0\n0.000000 4.028170 0.000000\n-0.098139 0.000000 6.902067\n5.883595 -2.014085 -3.369096\nCr Fe Te\n2 1 4\ndirect\n0.251459 0.265134 0.502918 Cr\n0.748539 0.734865 0.497081 Cr\n0.000000 0.000000 0.000000 Fe\n0.119947 0.456630 0.239893 Te\n0.880051 0.543370 0.760106 Te\n0.374178 0.040737 0.748357 Te\n0.625821 0.959262 0.251642 Te\n",
"nsites": 7,
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"elements": [
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],
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"density": 6.859593973545102,
"density_atomic": 0.043143842710593176,
"volume": 162.2479491907029,
"volume_molar": 13.958285543539157,
"formula_full": "Cr2 Fe1 Te4",
"formula_reduced": "Cr2FeTe4",
"formula_anonymous": "AB2C4",
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"spacegroup": 12
},
{
"id": "jvasp-35486",
"created_at": "2022-09-04T14:37:53.651984Z",
"updated_at": "2022-09-04T14:37:53.651991Z",
"structure_string": "Dy2 Cr2 C3\n1.0\n0.000000 -3.389055 0.000000\n-4.984875 1.694527 1.430699\n-0.027019 0.000000 -5.559028\nDy Cr C\n2 2 3\ndirect\n0.394954 0.789909 0.683286 Dy\n0.605044 0.210092 0.316714 Dy\n0.157023 0.314047 0.889598 Cr\n0.842975 0.685954 0.110403 Cr\n0.712901 0.425806 0.770788 C\n0.287097 0.574195 0.229212 C\n0.000000 0.000000 0.000000 C\n",
"nsites": 7,
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],
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"density": 8.210839997753073,
"density_atomic": 0.0744322048739741,
"volume": 94.04531293748647,
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"formula_full": "Dy2 Cr2 C3",
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"formula_anonymous": "A2B2C3",
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"spacegroup": 12
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{
"id": "jvasp-29434",
"created_at": "2022-09-04T14:37:53.702783Z",
"updated_at": "2022-09-04T14:37:53.702809Z",
"structure_string": "Cu3 Se2 Cl2 O6\n1.0\n5.319048 0.075549 1.535571\n1.616304 5.068091 1.535571\n-0.021577 -0.016002 7.616257\nCu Se Cl O\n3 2 2 6\ndirect\n0.593942 0.593942 0.156312 Cu\n0.000000 0.000000 0.000000 Cu\n0.406057 0.406058 0.843689 Cu\n0.166018 0.166019 0.265122 Se\n0.833981 0.833982 0.734879 Se\n0.294526 0.294527 0.623945 Cl\n0.705473 0.705473 0.376055 Cl\n0.725948 0.107304 0.852557 O\n0.274051 0.892696 0.147444 O\n0.354871 0.354871 0.131963 O\n0.645128 0.645129 0.868037 O\n0.892696 0.274052 0.147443 O\n0.107303 0.725948 0.852557 O\n",
"nsites": 13,
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"elements": [
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"Cl",
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],
"chemical_system": "Cl-Cu-O-Se",
"density": 4.182651932857679,
"density_atomic": 0.06352587765810433,
"volume": 204.64101369784888,
"volume_molar": 9.479822998134878,
"formula_full": "Cu3 Se2 Cl2 O6",
"formula_reduced": "Cu3Se2(ClO3)2",
"formula_anonymous": "A2B2C3D6",
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"spacegroup": 12
},
{
"id": "jvasp-36823",
"created_at": "2022-09-04T14:37:54.212684Z",
"updated_at": "2022-09-04T14:37:54.212717Z",
"structure_string": "Pb2 Au2 O4\n1.0\n-1.557677 -3.149550 -1.014004\n0.002618 0.008446 6.564509\n-5.649400 3.118661 -1.008316\nPb Au O\n2 2 4\ndirect\n0.500000 0.000000 0.000000 Pb\n0.000000 -0.000000 0.500000 Pb\n0.250173 0.500347 0.223754 Au\n0.749827 0.499653 0.776247 Au\n0.589513 0.179026 0.723737 O\n0.910628 0.821257 0.821727 O\n0.410486 0.820974 0.276263 O\n0.089371 0.178743 0.178273 O\n",
"nsites": 8,
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"density": 9.74524957054246,
"density_atomic": 0.05382111359273672,
"volume": 148.6405513742402,
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"formula_full": "Pb2 Au2 O4",
"formula_reduced": "PbAuO2",
"formula_anonymous": "ABC2",
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"spacegroup": 12
},
{
"id": "jvasp-28347",
"created_at": "2022-09-04T14:37:54.249957Z",
"updated_at": "2022-09-04T14:37:54.249977Z",
"structure_string": "Zr1 N2\n1.0\n3.252122 -0.185088 -1.084674\n-1.786351 3.094052 -0.000000\n-1.436941 -0.829618 4.129720\nZr N\n1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.344771 0.172385 0.678120 N\n0.655228 0.827613 0.321881 N\n",
"nsites": 3,
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"elements": [
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},
{
"id": "jvasp-36780",
"created_at": "2022-09-04T14:37:54.530749Z",
"updated_at": "2022-09-04T14:37:54.530767Z",
"structure_string": "Li1 Ag1 O2\n1.0\n2.351958 1.610346 0.831450\n2.843572 -1.572802 0.304173\n2.345403 1.614695 -4.460153\nLi Ag O\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Li\n0.500001 -0.000000 0.000000 Ag\n0.899253 0.929923 0.271571 O\n0.100747 0.070076 0.728429 O\n",
"nsites": 4,
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"formula_full": "Li1 Ag1 O2",
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"formula_anonymous": "ABC2",
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"spacegroup": 12
},
{
"id": "jvasp-25330",
"created_at": "2022-09-04T14:37:54.587123Z",
"updated_at": "2022-09-04T14:37:54.587150Z",
"structure_string": "H1\n1.0\n2.763491 0.024106 0.090586\n-1.380499 2.365798 -0.173741\n1.404822 -2.417553 1.166389\nH\n1\ndirect\n0.502702 0.499225 0.499948 H\n",
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{
"id": "jvasp-54680",
"created_at": "2022-09-04T14:37:54.605934Z",
"updated_at": "2022-09-04T14:37:54.605956Z",
"structure_string": "Li2 H6 O4\n1.0\n3.145593 0.037213 0.042568\n-1.327145 5.381074 0.006118\n-1.319238 -0.993505 5.290117\nLi H O\n2 6 4\ndirect\n0.499773 0.660496 0.345734 Li\n0.499801 0.355697 0.650066 Li\n0.856371 0.761809 0.016195 H\n0.143658 0.990142 0.244274 H\n0.855974 0.026045 0.751532 H\n0.143219 0.254390 0.979605 H\n0.312667 0.743667 0.734039 H\n0.686974 0.272573 0.261779 H\n0.000008 0.800685 0.205592 O\n0.999580 0.215504 0.790213 O\n0.604530 0.723266 0.713299 O\n0.395082 0.292953 0.282495 O\n",
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"volume": 90.18245422169869,
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{
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"created_at": "2022-09-04T14:37:54.870321Z",
"updated_at": "2022-09-04T14:37:54.870341Z",
"structure_string": "Li1 Ag1 F4\n1.0\n3.526899 -0.012674 -0.012841\n0.505201 4.607109 -0.028836\n0.500279 0.205638 4.605473\nLi Ag F\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500001 0.499999 Ag\n0.943573 0.288752 0.290918 F\n0.500318 0.803968 0.194163 F\n0.499683 0.196033 0.805836 F\n0.056428 0.711250 0.709081 F\n",
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}
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}