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{
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"results": [
{
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{
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{
"id": "mp-1399685",
"created_at": "2022-09-04T14:39:30.969625Z",
"structure_string": "Sb4 O10\n1.0\n3.716966 0.000000 0.000000\n0.000000 5.834871 0.000000\n0.000000 0.000000 10.251042\nSb O\n4 10\ndirect\n0.500000 0.722852 0.360277 Sb\n0.500000 0.277148 0.639723 Sb\n0.500000 0.222852 0.139723 Sb\n0.500000 0.777148 0.860277 Sb\n0.000000 0.795294 0.403065 O\n0.000000 0.204706 0.596935 O\n0.000000 0.295294 0.096935 O\n0.000000 0.704706 0.903065 O\n0.500000 0.049231 0.298338 O\n0.500000 0.950769 0.701662 O\n0.500000 0.549231 0.201662 O\n0.500000 0.450769 0.798338 O\n0.500000 0.500000 0.500000 O\n0.500000 0.000000 0.000000 O\n",
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{
"id": "mp-1179595",
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"structure_string": "Sb6 O28\n1.0\n14.943285 0.000000 0.000000\n0.000000 5.856034 0.000000\n0.000000 1.838560 5.568227\nSb O\n6 28\ndirect\n0.500000 0.000000 0.000000 Sb\n0.000000 0.000000 0.000000 Sb\n0.570727 0.651558 0.613044 Sb\n0.070727 0.348442 0.386956 Sb\n0.429273 0.348442 0.386956 Sb\n0.929273 0.651558 0.613044 Sb\n0.750000 0.131875 0.995632 O\n0.250000 0.868125 0.004368 O\n0.750000 0.659029 0.826298 O\n0.250000 0.340971 0.173702 O\n0.512428 0.220344 0.208363 O\n0.012428 0.779656 0.791637 O\n0.487572 0.779656 0.791637 O\n0.987572 0.220344 0.208363 O\n0.347446 0.147145 0.604553 O\n0.847446 0.852855 0.395447 O\n0.652554 0.852855 0.395447 O\n0.152554 0.147145 0.604553 O\n0.325460 0.489195 0.124585 O\n0.825460 0.510805 0.875415 O\n0.674540 0.510805 0.875415 O\n0.174540 0.489195 0.124585 O\n0.521467 0.314584 0.675128 O\n0.021467 0.685416 0.324872 O\n0.478533 0.685416 0.324872 O\n0.978533 0.314584 0.675128 O\n0.373366 0.069672 0.978708 O\n0.873366 0.930328 0.021292 O\n0.626634 0.930328 0.021292 O\n0.126634 0.069672 0.978708 O\n0.708793 0.361046 0.409345 O\n0.208793 0.638954 0.590655 O\n0.291207 0.638954 0.590655 O\n0.791207 0.361046 0.409345 O\n",
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"formula_full": "Sb6 O28",
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{
"id": "mp-1374616",
"created_at": "2022-09-04T14:39:44.790732Z",
"structure_string": "Sb8 O16\n1.0\n3.206751 0.000000 0.000000\n0.000000 10.817994 0.000000\n0.000000 0.000000 11.315059\nSb O\n8 16\ndirect\n0.750000 0.926914 0.110842 Sb\n0.250000 0.426914 0.389158 Sb\n0.750000 0.573086 0.610842 Sb\n0.250000 0.073086 0.889158 Sb\n0.250000 0.632118 0.976849 Sb\n0.750000 0.367882 0.023151 Sb\n0.250000 0.867882 0.476849 Sb\n0.750000 0.132118 0.523151 Sb\n0.750000 0.948420 0.580459 O\n0.250000 0.051580 0.419541 O\n0.750000 0.551580 0.080459 O\n0.250000 0.448420 0.919541 O\n0.750000 0.281908 0.426543 O\n0.250000 0.718092 0.573457 O\n0.750000 0.218092 0.926543 O\n0.250000 0.781908 0.073457 O\n0.750000 0.945111 0.928337 O\n0.250000 0.054889 0.071663 O\n0.750000 0.554889 0.428337 O\n0.250000 0.445111 0.571663 O\n0.250000 0.172464 0.622868 O\n0.750000 0.827536 0.377132 O\n0.750000 0.672464 0.877132 O\n0.250000 0.327536 0.122868 O\n",
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"formula_full": "Sb8 O16",
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{
"id": "mp-1819",
"created_at": "2022-09-04T14:43:13.907482Z",
"structure_string": "Sb4 O8\n1.0\n2.462407 6.099529 0.000000\n-2.462407 6.099529 0.000000\n0.000000 1.294568 5.355781\nSb O\n4 8\ndirect\n0.286465 0.713535 0.750000 Sb\n0.713535 0.286465 0.250000 Sb\n0.000000 0.500000 0.500000 Sb\n0.500000 0.000000 0.000000 Sb\n0.320485 0.491491 0.466390 O\n0.508509 0.679515 0.033610 O\n0.679515 0.508509 0.533610 O\n0.491491 0.320485 0.966390 O\n0.772378 0.850620 0.686226 O\n0.149380 0.227622 0.813774 O\n0.227622 0.149380 0.313774 O\n0.850620 0.772378 0.186226 O\n",
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{
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"structure_string": "Sb4 O6\n1.0\n3.354318 0.000000 0.000000\n0.000000 4.029189 0.000000\n0.000000 0.000000 13.272958\nSb O\n4 6\ndirect\n0.500000 0.353443 0.366239 Sb\n0.000000 0.646557 0.133761 Sb\n0.000000 0.646557 0.866239 Sb\n0.500000 0.353443 0.633761 Sb\n0.000000 0.621102 0.677803 O\n0.500000 0.378898 0.822197 O\n0.000000 0.409592 0.000000 O\n0.500000 0.590408 0.500000 O\n0.500000 0.378898 0.177803 O\n0.000000 0.621102 0.322197 O\n",
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{
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"structure_string": "Sb4 O14\n1.0\n-3.681331 3.723824 5.217559\n3.681331 -3.723824 5.217559\n3.681331 3.723824 -5.217559\nSb O\n4 14\ndirect\n0.997369 0.477760 0.980391 Sb\n0.002631 0.983022 0.480391 Sb\n0.500000 0.980907 0.480907 Sb\n0.000000 0.980907 0.980907 Sb\n0.325004 0.051912 0.226908 O\n0.927389 0.659056 0.231667 O\n0.931203 0.054672 0.231964 O\n0.321876 0.656615 0.230328 O\n0.926287 0.656615 0.834739 O\n0.322707 0.054672 0.623469 O\n0.674996 0.901905 0.726908 O\n0.072611 0.304277 0.731667 O\n0.073713 0.908452 0.730328 O\n0.677293 0.300761 0.731964 O\n0.068797 0.300761 0.123469 O\n0.678124 0.908452 0.334739 O\n0.454972 0.970199 0.015227 O\n0.545028 0.560255 0.515227 O\n",
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{
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{
"id": "mp-1219511",
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"structure_string": "Sb4 O16\n1.0\n-3.664909 3.695316 5.229185\n3.664909 -3.695316 5.229185\n3.664909 3.695316 -5.229185\nSb O\n4 16\ndirect\n0.000000 0.000000 0.500000 Sb\n0.000000 0.500000 0.000000 Sb\n0.000000 0.000000 0.000000 Sb\n0.500000 0.000000 0.500000 Sb\n0.926735 0.675392 0.851364 O\n0.324028 0.075371 0.648636 O\n0.925666 0.675666 0.250000 O\n0.322383 0.072383 0.250000 O\n0.926735 0.075371 0.251343 O\n0.324028 0.675392 0.248657 O\n0.073265 0.324608 0.148636 O\n0.675972 0.924629 0.351364 O\n0.074334 0.324334 0.750000 O\n0.677617 0.927617 0.750000 O\n0.073265 0.924629 0.748657 O\n0.675972 0.324608 0.751343 O\n0.376528 0.626528 0.750000 O\n0.623472 0.373472 0.250000 O\n0.500000 0.500000 0.500000 O\n0.500000 0.000000 0.000000 O\n",
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{
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"structure_string": "Sb4 O8\n1.0\n-3.191114 3.670880 3.773517\n3.191114 -3.670880 3.773517\n3.191114 3.670880 -3.773517\nSb O\n4 8\ndirect\n0.566094 0.816094 0.750000 Sb\n0.433906 0.183906 0.250000 Sb\n0.000000 0.000000 0.500000 Sb\n0.000000 0.500000 0.000000 Sb\n0.264068 0.255857 0.491790 O\n0.177427 0.248448 0.928979 O\n0.264068 0.772278 0.008210 O\n0.819468 0.248448 0.571021 O\n0.180532 0.751552 0.428979 O\n0.822573 0.751552 0.071021 O\n0.735932 0.227722 0.991790 O\n0.735932 0.744143 0.508210 O\n",
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"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -71.00792105,
"band_gap": 0.8367000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001362,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:23.399000Z",
"spacegroup": 74
},
{
"id": "mp-1356631",
"created_at": "2022-09-04T14:42:11.782764Z",
"structure_string": "Sb12 O24\n1.0\n-6.503955 0.000000 0.000000\n3.001653 6.789113 0.000000\n-0.207730 -1.708976 -15.569262\nSb O\n12 24\ndirect\n0.688280 0.335831 0.154356 Sb\n0.480146 0.912198 0.527546 Sb\n0.403514 0.239484 0.319744 Sb\n0.109909 0.741084 0.163052 Sb\n0.054556 0.135568 0.461990 Sb\n0.183328 0.347958 0.163780 Sb\n0.650879 0.755766 0.677549 Sb\n0.520374 0.502362 0.497993 Sb\n0.334011 0.665398 0.841976 Sb\n0.742878 0.093004 0.845391 Sb\n0.856370 0.647993 0.850576 Sb\n0.269636 0.196224 0.944145 Sb\n0.293208 0.598348 0.112198 O\n0.885680 0.210675 0.097819 O\n0.994058 0.495651 0.231935 O\n0.816661 0.581906 0.099328 O\n0.653473 0.373396 0.408621 O\n0.569215 0.129469 0.236265 O\n0.382754 0.243454 0.083147 O\n0.499650 0.458057 0.237093 O\n0.225277 0.011440 0.383515 O\n0.312957 0.257567 0.546705 O\n0.248240 0.385875 0.403837 O\n0.120100 0.149251 0.243419 O\n0.904069 0.854235 0.761700 O\n0.752159 0.590888 0.591088 O\n0.603528 0.755409 0.446235 O\n0.743874 0.991060 0.610595 O\n0.616726 0.854193 0.909676 O\n0.488563 0.545932 0.753051 O\n0.491501 0.904270 0.757984 O\n0.371550 0.656414 0.586587 O\n0.283978 0.457612 0.917682 O\n0.171184 0.822720 0.904002 O\n0.041476 0.528379 0.779554 O\n0.569642 0.237627 0.904765 O\n",
"nsites": 36,
"nelements": 2,
"elements": [
"Sb",
"O"
],
"chemical_system": "O-Sb",
"density": 4.4566828786995165,
"density_atomic": 0.0523653377123496,
"volume": 687.4776631395605,
"volume_molar": 11.500242379950825,
"formula_full": "Sb12 O24",
"formula_reduced": "SbO2",
"formula_anonymous": "AB2",
"energy": -228.66104474,
"energy_per_atom": -6.351695687222222,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -212.17304474,
"band_gap": 1.2083,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002579,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:38.632000Z",
"spacegroup": 1
}
]
}