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{
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"results": [
{
"id": "mp-1179765",
"created_at": "2022-09-04T14:40:02.836454Z",
"structure_string": "Rb4 Zn8 P12 O56\n1.0\n8.562886 0.000000 0.000000\n0.000000 10.287657 0.000000\n0.000000 0.000000 16.198947\nRb Zn P O\n4 8 12 56\ndirect\n0.701759 0.580427 0.496967 Rb\n0.798241 0.419573 0.996967 Rb\n0.201759 0.919573 0.503033 Rb\n0.298241 0.080427 0.003033 Rb\n0.586142 0.840272 0.834898 Zn\n0.913858 0.159728 0.334898 Zn\n0.086142 0.659728 0.165102 Zn\n0.413858 0.340272 0.665102 Zn\n0.124235 0.610433 0.803795 Zn\n0.375765 0.389567 0.303795 Zn\n0.624235 0.889567 0.196205 Zn\n0.875765 0.110433 0.696205 Zn\n0.336649 0.634728 0.635393 P\n0.163351 0.365272 0.135393 P\n0.836649 0.865272 0.364607 P\n0.663351 0.134728 0.864607 P\n0.141200 0.295269 0.790368 P\n0.358800 0.704731 0.290368 P\n0.641200 0.204731 0.209632 P\n0.858800 0.795269 0.709632 P\n0.346982 0.669733 0.955337 P\n0.153018 0.330267 0.455337 P\n0.846982 0.830267 0.044663 P\n0.653018 0.169733 0.544663 P\n0.686275 0.815708 0.733623 O\n0.813725 0.184292 0.233623 O\n0.186275 0.684292 0.266377 O\n0.313725 0.315708 0.766377 O\n0.290602 0.652650 0.725927 O\n0.209398 0.347350 0.225927 O\n0.790602 0.847350 0.274073 O\n0.709398 0.152650 0.774073 O\n0.450436 0.724357 0.886290 O\n0.049564 0.275643 0.386290 O\n0.950436 0.775643 0.113710 O\n0.549564 0.224357 0.613710 O\n0.563568 0.011467 0.878475 O\n0.936432 0.988533 0.378475 O\n0.063568 0.488533 0.121525 O\n0.436432 0.511467 0.621525 O\n0.297220 0.961653 0.746550 O\n0.202780 0.038347 0.246550 O\n0.797220 0.538347 0.253450 O\n0.702780 0.461653 0.753450 O\n0.214338 0.948401 0.808167 O\n0.285662 0.051599 0.308167 O\n0.714338 0.551599 0.191833 O\n0.785662 0.448401 0.691833 O\n0.053765 0.426798 0.798271 O\n0.446235 0.573202 0.298271 O\n0.553765 0.073202 0.201729 O\n0.946235 0.926798 0.701729 O\n0.938267 0.706803 0.773885 O\n0.561733 0.293197 0.273885 O\n0.438267 0.793197 0.226115 O\n0.061733 0.206803 0.726115 O\n0.191499 0.622897 0.918013 O\n0.308501 0.377103 0.418013 O\n0.691499 0.877103 0.081987 O\n0.808501 0.122897 0.581987 O\n0.187804 0.636182 0.579130 O\n0.312196 0.363818 0.079130 O\n0.687804 0.863818 0.420870 O\n0.812196 0.136182 0.920870 O\n0.420700 0.753796 0.598117 O\n0.079300 0.246204 0.098117 O\n0.920700 0.746204 0.401883 O\n0.579300 0.253796 0.901883 O\n0.131347 0.231938 0.876792 O\n0.368653 0.768062 0.376792 O\n0.631347 0.268062 0.123208 O\n0.868653 0.731938 0.623208 O\n0.313515 0.765176 0.026774 O\n0.186485 0.234824 0.526774 O\n0.813515 0.734824 0.973226 O\n0.686485 0.265176 0.473226 O\n0.439823 0.560100 0.999889 O\n0.060177 0.439900 0.499889 O\n0.939823 0.939900 0.000111 O\n0.560177 0.060100 0.500111 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Rb",
"Zn",
"P",
"O"
],
"chemical_system": "O-P-Rb-Zn",
"density": 2.481845467361523,
"density_atomic": 0.05606173888502083,
"volume": 1426.9981914773473,
"volume_molar": 10.741979966677523,
"formula_full": "Rb4 Zn8 P12 O56",
"formula_reduced": "RbZn2P3O14",
"formula_anonymous": "AB2C3D14",
"energy": -472.87589864,
"energy_per_atom": -5.910948733,
"energy_above_hull": null,
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"energy_uncorrected": -463.85989864,
"band_gap": 0.0,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:34:46.283000Z",
"spacegroup": 19
},
{
"id": "mp-557089",
"created_at": "2022-09-04T14:42:04.434942Z",
"structure_string": "Rb4 Zn6 P8 O28\n1.0\n7.343174 0.000000 0.000000\n0.000000 7.309056 0.000000\n0.000000 0.522601 13.421135\nRb Zn P O\n4 6 8 28\ndirect\n0.750492 0.053686 0.416610 Rb\n0.250492 0.946314 0.583390 Rb\n0.993292 0.611114 0.093337 Rb\n0.493292 0.388886 0.906663 Rb\n0.620408 0.791802 0.736814 Zn\n0.999919 0.209553 0.901526 Zn\n0.089191 0.451639 0.613272 Zn\n0.120408 0.208198 0.263186 Zn\n0.499919 0.790447 0.098474 Zn\n0.589191 0.548361 0.386728 Zn\n0.512233 0.432906 0.611942 P\n0.986385 0.635637 0.816205 P\n0.486385 0.364363 0.183795 P\n0.287936 0.834762 0.310068 P\n0.787936 0.165238 0.689932 P\n0.275695 0.888417 0.892055 P\n0.012233 0.567094 0.388058 P\n0.775695 0.111583 0.107945 P\n0.346453 0.766263 0.979121 O\n0.279691 0.342617 0.168389 O\n0.779691 0.657383 0.831611 O\n0.149868 0.661102 0.305470 O\n0.649868 0.338898 0.694530 O\n0.066236 0.470607 0.875320 O\n0.446653 0.776763 0.378538 O\n0.890496 0.122850 0.201828 O\n0.685645 0.002941 0.646503 O\n0.040606 0.647868 0.706253 O\n0.829589 0.662717 0.367256 O\n0.011043 0.364092 0.365246 O\n0.571669 0.186971 0.131640 O\n0.736068 0.913519 0.079586 O\n0.540606 0.352132 0.293747 O\n0.566236 0.529393 0.124680 O\n0.390496 0.877150 0.798172 O\n0.329589 0.337283 0.632744 O\n0.236068 0.086481 0.920414 O\n0.089286 0.607403 0.490836 O\n0.511043 0.635908 0.634754 O\n0.946653 0.223237 0.621462 O\n0.185645 0.997059 0.353497 O\n0.335346 0.873197 0.200807 O\n0.589286 0.392597 0.509164 O\n0.071669 0.813029 0.868360 O\n0.846453 0.233737 0.020879 O\n0.835346 0.126803 0.799193 O\n",
"nsites": 46,
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"elements": [
"Rb",
"Zn",
"P",
"O"
],
"chemical_system": "O-P-Rb-Zn",
"density": 3.2967096096408492,
"density_atomic": 0.06385920069971772,
"volume": 720.3347285272761,
"volume_molar": 9.430341585886183,
"formula_full": "Rb4 Zn6 P8 O28",
"formula_reduced": "Rb2Zn3(P2O7)2",
"formula_anonymous": "A2B3C4D14",
"energy": -309.98448615,
"energy_per_atom": -6.738793177173913,
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"total_magnetization": 0.000225,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:45.396000Z",
"spacegroup": 4
},
{
"id": "mp-1179737",
"created_at": "2022-09-04T14:43:33.778401Z",
"structure_string": "Rb2 Zn2 P4 O18\n1.0\n7.231898 0.000000 0.000000\n-1.466245 -7.570434 0.000000\n-3.141784 0.176183 -7.310531\nRb Zn P O\n2 2 4 18\ndirect\n0.779855 0.161715 0.286256 Rb\n0.220145 0.838285 0.713744 Rb\n0.246603 0.266056 0.038621 Zn\n0.753397 0.733944 0.961379 Zn\n0.546325 0.614140 0.247003 P\n0.453675 0.385860 0.752997 P\n0.180379 0.899892 0.213397 P\n0.819621 0.100108 0.786603 P\n0.357281 0.469049 0.217942 O\n0.642719 0.530951 0.782058 O\n0.950722 0.236113 0.943485 O\n0.049278 0.763887 0.056515 O\n0.455350 0.300407 0.931376 O\n0.544650 0.699593 0.068624 O\n0.323589 0.040949 0.157075 O\n0.676411 0.959051 0.842925 O\n0.754411 0.562314 0.358151 O\n0.245589 0.437686 0.641849 O\n0.540654 0.770282 0.380980 O\n0.459346 0.229718 0.619020 O\n0.343638 0.786130 0.383926 O\n0.656362 0.213870 0.616074 O\n0.071665 0.954313 0.322074 O\n0.928335 0.045687 0.677926 O\n0.165140 0.511104 0.361419 O\n0.834860 0.488896 0.638581 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Rb",
"Zn",
"P",
"O"
],
"chemical_system": "O-P-Rb-Zn",
"density": 2.96077209970029,
"density_atomic": 0.06496079858558433,
"volume": 400.2413850523344,
"volume_molar": 9.270422918317376,
"formula_full": "Rb2 Zn2 P4 O18",
"formula_reduced": "RbZnP2O9",
"formula_anonymous": "ABC2D9",
"energy": -153.446572,
"energy_per_atom": -5.901791230769231,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:24.839000Z",
"spacegroup": 2
},
{
"id": "mp-18463",
"created_at": "2022-09-04T14:44:28.934897Z",
"structure_string": "Rb4 Zn4 P4 O16\n1.0\n5.498631 0.000000 0.000000\n0.000000 9.002978 0.000000\n0.000000 0.029360 9.091478\nRb Zn P O\n4 4 4 16\ndirect\n0.781788 0.501754 0.687227 Rb\n0.281788 0.498246 0.312773 Rb\n0.258192 0.991283 0.198383 Rb\n0.758192 0.008717 0.801617 Rb\n0.791265 0.671035 0.091869 Zn\n0.291265 0.328965 0.908131 Zn\n0.753186 0.174863 0.423129 Zn\n0.253186 0.825137 0.576871 Zn\n0.788740 0.307899 0.097664 P\n0.288740 0.692101 0.902336 P\n0.256842 0.194176 0.577578 P\n0.756842 0.805824 0.422422 P\n0.211073 0.192439 0.746354 O\n0.711073 0.807561 0.253646 O\n0.045844 0.278011 0.497434 O\n0.545844 0.721989 0.502566 O\n0.498444 0.277558 0.540926 O\n0.998444 0.722442 0.459074 O\n0.273470 0.034024 0.518892 O\n0.773470 0.965976 0.481108 O\n0.640420 0.291271 0.952400 O\n0.140420 0.708729 0.047600 O\n0.062662 0.274267 0.066902 O\n0.562662 0.725733 0.933098 O\n0.258195 0.534211 0.835976 O\n0.758195 0.465789 0.164024 O\n0.192779 0.808231 0.789262 O\n0.692779 0.191769 0.210738 O\n",
"nsites": 28,
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"elements": [
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"P",
"O"
],
"chemical_system": "O-P-Rb-Zn",
"density": 3.628280020832351,
"density_atomic": 0.06221323349486474,
"volume": 450.065017152841,
"volume_molar": 9.679838873022225,
"formula_full": "Rb4 Zn4 P4 O16",
"formula_reduced": "RbZnPO4",
"formula_anonymous": "ABCD4",
"energy": -180.16714812,
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"updated_at": "2021-11-28T01:36:41.838000Z",
"spacegroup": 4
},
{
"id": "mp-1210865",
"created_at": "2022-09-04T14:46:05.756948Z",
"structure_string": "Rb4 Zn2 S4 O28\n1.0\n-5.832906 0.000000 1.383513\n-0.343727 0.000000 -8.807036\n0.000000 -13.572201 0.000000\nRb Zn S O\n4 2 4 28\ndirect\n0.834932 0.626218 0.152470 Rb\n0.165068 0.373782 0.847530 Rb\n0.165068 0.873782 0.652470 Rb\n0.834932 0.126218 0.347530 Rb\n0.500000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n0.752050 0.606340 0.860781 S\n0.247950 0.393660 0.139219 S\n0.247950 0.893660 0.360781 S\n0.752050 0.106340 0.639219 S\n0.534584 0.646095 0.829679 O\n0.465416 0.353905 0.170321 O\n0.465416 0.853905 0.329679 O\n0.534584 0.146095 0.670321 O\n0.713346 0.948035 0.594048 O\n0.286654 0.051965 0.405952 O\n0.286654 0.551965 0.094048 O\n0.713346 0.448035 0.905952 O\n0.344617 0.917217 0.866530 O\n0.655383 0.082783 0.133470 O\n0.655383 0.582783 0.366530 O\n0.344617 0.417217 0.633470 O\n0.853254 0.711637 0.942792 O\n0.146746 0.288363 0.057208 O\n0.146746 0.788363 0.442792 O\n0.853254 0.211637 0.557208 O\n0.413167 0.572123 0.623872 O\n0.586833 0.427877 0.376128 O\n0.586833 0.927877 0.123872 O\n0.413167 0.072123 0.876128 O\n0.934889 0.006977 0.965794 O\n0.065111 0.993023 0.034206 O\n0.065111 0.493023 0.465794 O\n0.934889 0.506977 0.534206 O\n0.913791 0.613805 0.777801 O\n0.086209 0.386195 0.222199 O\n0.086209 0.886195 0.277801 O\n0.913791 0.113805 0.722199 O\n",
"nsites": 38,
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"elements": [
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"S",
"O"
],
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"density": 2.47531051433181,
"density_atomic": 0.05400285063101226,
"volume": 703.6665575238673,
"volume_molar": 11.15152383556149,
"formula_full": "Rb4 Zn2 S4 O28",
"formula_reduced": "Rb2Zn(SO7)2",
"formula_anonymous": "AB2C2D14",
"energy": -198.13240795,
"energy_per_atom": -5.214010735526315,
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"updated_at": "2021-11-28T01:37:20.883000Z",
"spacegroup": 14
},
{
"id": "mp-1194730",
"created_at": "2022-09-04T14:44:31.338824Z",
"structure_string": "Rb2 Zr4 As6 O24\n1.0\n8.936698 -4.577107 0.000000\n8.936698 4.577107 0.000000\n6.592441 0.000000 7.573255\nRb Zr As O\n2 4 6 24\ndirect\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Rb\n0.349688 0.349688 0.349688 Zr\n0.849688 0.849688 0.849688 Zr\n0.650312 0.650312 0.650312 Zr\n0.150312 0.150312 0.150312 Zr\n0.968829 0.531171 0.250000 As\n0.250000 0.968829 0.531171 As\n0.531171 0.250000 0.968829 As\n0.750000 0.031171 0.468829 As\n0.468829 0.750000 0.031171 As\n0.031171 0.468829 0.750000 As\n0.154313 0.513830 0.239254 O\n0.239254 0.154313 0.513830 O\n0.513830 0.239254 0.154313 O\n0.739254 0.013830 0.654313 O\n0.654313 0.739254 0.013830 O\n0.013830 0.654313 0.739254 O\n0.845687 0.486170 0.760746 O\n0.760746 0.845687 0.486170 O\n0.486170 0.760746 0.845687 O\n0.260746 0.986170 0.345687 O\n0.345687 0.260746 0.986170 O\n0.986170 0.345687 0.260746 O\n0.206338 0.428534 0.565862 O\n0.565862 0.206338 0.428534 O\n0.428534 0.565862 0.206338 O\n0.065862 0.928534 0.706338 O\n0.706338 0.065862 0.928534 O\n0.928534 0.706338 0.065862 O\n0.793662 0.571466 0.434138 O\n0.434138 0.793662 0.571466 O\n0.571466 0.434138 0.793662 O\n0.934138 0.071466 0.293662 O\n0.293662 0.934138 0.071466 O\n0.071466 0.293662 0.934138 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Rb",
"Zr",
"As",
"O"
],
"chemical_system": "As-O-Rb-Zr",
"density": 3.6701331941912607,
"density_atomic": 0.058106106765373304,
"volume": 619.5562222980182,
"volume_molar": 10.364041053923657,
"formula_full": "Rb2 Zr4 As6 O24",
"formula_reduced": "RbZr2(AsO4)3",
"formula_anonymous": "AB2C3D12",
"energy": -273.70605726,
"energy_per_atom": -7.602946035,
"energy_above_hull": null,
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"energy_uncorrected": -257.21805726,
"band_gap": 4.1924,
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"updated_at": "2021-11-28T01:36:46.004000Z",
"spacegroup": 167
},
{
"id": "mp-1209464",
"created_at": "2022-09-04T14:43:07.960484Z",
"structure_string": "Rb8 Zr6 B1 Br20\n1.0\n0.000000 8.543801 8.543801\n8.543801 0.000000 8.543801\n8.543801 8.543801 0.000000\nRb Zr B Br\n8 6 1 20\ndirect\n0.360917 0.360917 0.360917 Rb\n0.639083 0.639083 0.639083 Rb\n0.360917 0.360917 0.917250 Rb\n0.360917 0.917250 0.360917 Rb\n0.639083 0.639083 0.082750 Rb\n0.639083 0.082750 0.639083 Rb\n0.917250 0.360917 0.360917 Rb\n0.082750 0.639083 0.639083 Rb\n0.863550 0.136450 0.136450 Zr\n0.136450 0.863550 0.863550 Zr\n0.136450 0.863550 0.136450 Zr\n0.863550 0.136450 0.863550 Zr\n0.136450 0.136450 0.863550 Zr\n0.863550 0.863550 0.136450 Zr\n0.000000 0.000000 0.000000 B\n0.318210 0.000000 0.000000 Br\n0.681790 0.000000 0.000000 Br\n0.000000 0.318210 0.681790 Br\n0.000000 0.681790 0.318210 Br\n0.000000 0.318210 0.000000 Br\n0.681790 0.000000 0.318210 Br\n0.000000 0.681790 0.000000 Br\n0.318210 0.000000 0.681790 Br\n0.000000 0.000000 0.318210 Br\n0.000000 0.000000 0.681790 Br\n0.681790 0.318210 0.000000 Br\n0.318210 0.681790 0.000000 Br\n0.690846 0.309154 0.309154 Br\n0.309154 0.690846 0.690846 Br\n0.309154 0.690846 0.309154 Br\n0.690846 0.309154 0.690846 Br\n0.309154 0.309154 0.690846 Br\n0.690846 0.690846 0.309154 Br\n0.250000 0.250000 0.250000 Br\n0.750000 0.750000 0.750000 Br\n",
"nsites": 35,
"nelements": 4,
"elements": [
"Rb",
"Zr",
"B",
"Br"
],
"chemical_system": "B-Br-Rb-Zr",
"density": 3.780773087190187,
"density_atomic": 0.02805980675124936,
"volume": 1247.3357464745059,
"volume_molar": 21.461804114997566,
"formula_full": "Rb8 Zr6 B1 Br20",
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}