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{
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"results": [
{
"id": "mp-560244",
"created_at": "2022-09-04T14:39:07.180758Z",
"structure_string": "Cs2 Zn2 B2 P4 O16\n1.0\n7.412160 -0.011635 -1.700066\n-2.936578 6.449624 -3.752257\n0.004282 0.020093 8.135997\nCs Zn B P O\n2 2 2 4 16\ndirect\n0.264466 0.647311 0.405071 Cs\n0.735534 0.352689 0.594929 Cs\n0.202905 0.293128 0.742839 Zn\n0.797095 0.706872 0.257161 Zn\n0.702295 0.933859 0.931360 B\n0.297705 0.066141 0.068640 B\n0.557608 0.228611 0.937619 P\n0.960241 0.903020 0.728868 P\n0.039759 0.096980 0.271132 P\n0.442392 0.771389 0.062381 P\n0.399374 0.969410 0.149182 O\n0.095361 0.275260 0.488026 O\n0.452291 0.238513 0.086267 O\n0.750012 0.424300 0.053854 O\n0.600626 0.030590 0.850818 O\n0.581485 0.797540 0.250392 O\n0.986616 0.111723 0.759241 O\n0.013384 0.888277 0.240759 O\n0.904639 0.724740 0.511974 O\n0.207701 0.171228 0.205527 O\n0.547709 0.761487 0.913733 O\n0.418515 0.202460 0.749608 O\n0.154670 0.910890 0.858096 O\n0.249988 0.575700 0.946146 O\n0.792299 0.828772 0.794473 O\n0.845330 0.089110 0.141904 O\n",
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"elements": [
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"Zn",
"B",
"P",
"O"
],
"chemical_system": "B-Cs-O-P-Zn",
"density": 3.403754700041394,
"density_atomic": 0.06677369559755422,
"volume": 389.3748843362254,
"volume_molar": 9.018732161082573,
"formula_full": "Cs2 Zn2 B2 P4 O16",
"formula_reduced": "CsZnB(PO4)2",
"formula_anonymous": "ABCD2E8",
"energy": -187.65410892,
"energy_per_atom": -7.217465727692308,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:32.029000Z",
"spacegroup": 2
},
{
"id": "mp-1194678",
"created_at": "2022-09-04T14:40:05.750497Z",
"structure_string": "Bi8 Te4 I4 Cl4 O32\n1.0\n2.677954 11.126035 0.000000\n-2.677954 11.126035 0.000000\n0.000000 3.886132 14.870059\nBi Te I Cl O\n8 4 4 4 32\ndirect\n0.449882 0.710313 0.940907 Bi\n0.710313 0.449882 0.440907 Bi\n0.336807 0.753510 0.205515 Bi\n0.753510 0.336807 0.705515 Bi\n0.111636 0.383031 0.855039 Bi\n0.383031 0.111636 0.355039 Bi\n0.471732 0.085749 0.095967 Bi\n0.085749 0.471732 0.595967 Bi\n0.957753 0.323711 0.060139 Te\n0.323711 0.957753 0.560139 Te\n0.499719 0.864302 0.733537 Te\n0.864302 0.499719 0.233537 Te\n0.105395 0.707413 0.964879 I\n0.707413 0.105395 0.464879 I\n0.687546 0.185780 0.164736 I\n0.185780 0.687546 0.664736 I\n0.730978 0.874526 0.897941 Cl\n0.874526 0.730978 0.397941 Cl\n0.909954 0.131316 0.888280 Cl\n0.131316 0.909954 0.388281 Cl\n0.371772 0.139667 0.698382 O\n0.139667 0.371772 0.198382 O\n0.829377 0.487080 0.940684 O\n0.487080 0.829377 0.440684 O\n0.582467 0.622610 0.781416 O\n0.622610 0.582467 0.281416 O\n0.333955 0.002207 0.851124 O\n0.002207 0.333955 0.351124 O\n0.180837 0.994988 0.050453 O\n0.994988 0.180837 0.550453 O\n0.665249 0.471725 0.089329 O\n0.471725 0.665249 0.589329 O\n0.843417 0.611297 0.744746 O\n0.611297 0.843417 0.244746 O\n0.216373 0.217066 0.013750 O\n0.217066 0.216373 0.513750 O\n0.186316 0.080788 0.683766 O\n0.080788 0.186316 0.183766 O\n0.636027 0.739700 0.609847 O\n0.739700 0.636027 0.109847 O\n0.274435 0.412914 0.993540 O\n0.412914 0.274435 0.493540 O\n0.542123 0.389158 0.251756 O\n0.389158 0.542123 0.751756 O\n0.846511 0.913481 0.054326 O\n0.913481 0.846511 0.554326 O\n0.536110 0.170931 0.208376 O\n0.170931 0.536110 0.708376 O\n0.327783 0.600103 0.011068 O\n0.600103 0.327783 0.511068 O\n0.007876 0.885845 0.207669 O\n0.885845 0.007876 0.707669 O\n",
"nsites": 52,
"nelements": 5,
"elements": [
"Bi",
"Te",
"I",
"Cl",
"O"
],
"chemical_system": "Bi-Cl-I-O-Te",
"density": 6.26591054596859,
"density_atomic": 0.05868365047827364,
"volume": 886.1071112004506,
"volume_molar": 10.262041830934782,
"formula_full": "Bi8 Te4 I4 Cl4 O32",
"formula_reduced": "Bi2TeIClO8",
"formula_anonymous": "ABCD2E8",
"energy": -288.44874682,
"energy_per_atom": -5.547091285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -264.00874682,
"band_gap": 2.8168,
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"total_magnetization": 0.0005165,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:50.164000Z",
"spacegroup": 9
},
{
"id": "mp-561247",
"created_at": "2022-09-04T14:40:09.667411Z",
"structure_string": "Na8 Lu4 Mo4 P4 O32\n1.0\n-3.411756 6.028150 9.085388\n3.411756 -6.028150 9.085388\n3.411756 6.028150 -9.085388\nNa Lu Mo P O\n8 4 4 4 32\ndirect\n0.903841 0.857043 0.068321 Na\n0.403841 0.335520 0.046798 Na\n0.711278 0.164480 0.568321 Na\n0.788722 0.357043 0.453202 Na\n0.288722 0.835520 0.431679 Na\n0.596159 0.664480 0.953202 Na\n0.211278 0.642957 0.546798 Na\n0.096159 0.142957 0.931679 Na\n0.178455 0.750000 0.928455 Lu\n0.821545 0.250000 0.071545 Lu\n0.678455 0.750000 0.428455 Lu\n0.321545 0.250000 0.571545 Lu\n0.925694 0.675694 0.250000 Mo\n0.574306 0.824306 0.750000 Mo\n0.074306 0.324306 0.750000 Mo\n0.425694 0.175694 0.250000 Mo\n0.068398 0.250000 0.318398 P\n0.431602 0.750000 0.181602 P\n0.568398 0.250000 0.818398 P\n0.931602 0.750000 0.681602 P\n0.423312 0.171329 0.730365 O\n0.399051 0.812189 0.671143 O\n0.923312 0.192947 0.251983 O\n0.656438 0.079950 0.722224 O\n0.059036 0.307053 0.230365 O\n0.156438 0.434214 0.576488 O\n0.843562 0.565786 0.423512 O\n0.858953 0.687811 0.086861 O\n0.155585 0.167030 0.560132 O\n0.655585 0.095453 0.988556 O\n0.600949 0.187811 0.328857 O\n0.343562 0.920050 0.277776 O\n0.076688 0.807053 0.748017 O\n0.106898 0.595453 0.939868 O\n0.844415 0.832970 0.439868 O\n0.857727 0.934214 0.777776 O\n0.606898 0.667030 0.511444 O\n0.559037 0.328671 0.751983 O\n0.141047 0.312189 0.913139 O\n0.899051 0.227908 0.586861 O\n0.142273 0.065786 0.222224 O\n0.940963 0.692947 0.769635 O\n0.641047 0.727908 0.828857 O\n0.642273 0.420050 0.076488 O\n0.893102 0.404547 0.060132 O\n0.440963 0.671329 0.248017 O\n0.576688 0.828671 0.269635 O\n0.100949 0.772092 0.413139 O\n0.357727 0.579950 0.923512 O\n0.344415 0.904547 0.011444 O\n0.393102 0.332970 0.488556 O\n0.358953 0.272092 0.171143 O\n",
"nsites": 52,
"nelements": 5,
"elements": [
"Na",
"Lu",
"Mo",
"P",
"O"
],
"chemical_system": "Lu-Mo-Na-O-P",
"density": 4.2288151129275136,
"density_atomic": 0.06957253995795883,
"volume": 747.4213250144736,
"volume_molar": 8.655916204351673,
"formula_full": "Na8 Lu4 Mo4 P4 O32",
"formula_reduced": "Na2LuMoPO8",
"formula_anonymous": "ABCD2E8",
"energy": -396.71770763,
"energy_per_atom": -7.629186685192308,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -361.92570763,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:34:45.327000Z",
"spacegroup": 73
},
{
"id": "mp-1375395",
"created_at": "2022-09-04T14:46:32.801441Z",
"structure_string": "Sr2 Mg2 V2 P4 O16\n1.0\n5.561956 0.000000 0.000000\n-0.976194 6.937153 0.000000\n-1.831426 -3.730746 8.525323\nSr Mg V P O\n2 2 2 4 16\ndirect\n0.200482 0.753060 0.047934 Sr\n0.799518 0.246940 0.952066 Sr\n0.336771 0.729818 0.652852 Mg\n0.663229 0.270182 0.347148 Mg\n0.081140 0.290289 0.561633 V\n0.918860 0.709711 0.438367 V\n0.157722 0.189766 0.234141 P\n0.842278 0.810234 0.765859 P\n0.538541 0.721709 0.302334 P\n0.461459 0.278291 0.697666 P\n0.928390 0.661076 0.888357 O\n0.447960 0.262285 0.211810 O\n0.895844 0.029440 0.771363 O\n0.263654 0.421022 0.698987 O\n0.552040 0.737715 0.788190 O\n0.429212 0.176342 0.574740 O\n0.570788 0.823658 0.425260 O\n0.395364 0.128874 0.863757 O\n0.104156 0.970560 0.228637 O\n0.604636 0.871126 0.136243 O\n0.071610 0.338924 0.111643 O\n0.973714 0.189562 0.394607 O\n0.026286 0.810438 0.605393 O\n0.255925 0.586759 0.365942 O\n0.736346 0.578978 0.301013 O\n0.744075 0.413241 0.634058 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
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"Mg",
"V",
"P",
"O"
],
"chemical_system": "Mg-O-P-Sr-V",
"density": 3.562044658500135,
"density_atomic": 0.07904122890675641,
"volume": 328.9422540566994,
"volume_molar": 7.618986753235096,
"formula_full": "Sr2 Mg2 V2 P4 O16",
"formula_reduced": "SrMgV(PO4)2",
"formula_anonymous": "ABCD2E8",
"energy": -112.10340284,
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"updated_at": "2021-11-28T01:37:31.318000Z",
"spacegroup": 2
},
{
"id": "mp-1197774",
"created_at": "2022-09-04T14:40:52.984812Z",
"structure_string": "Rb4 Fe4 Cu4 P8 O32\n1.0\n10.050735 0.000000 0.000000\n0.000000 8.268165 0.000000\n0.000000 4.205404 8.333125\nRb Fe Cu P O\n4 4 4 8 32\ndirect\n0.133653 0.841562 0.575874 Rb\n0.366347 0.841562 0.075874 Rb\n0.866347 0.158438 0.424126 Rb\n0.633653 0.158438 0.924126 Rb\n0.623797 0.772973 0.745401 Fe\n0.876203 0.772973 0.245401 Fe\n0.376203 0.227027 0.254599 Fe\n0.123797 0.227027 0.754599 Fe\n0.381552 0.574486 0.558593 Cu\n0.118448 0.574486 0.058593 Cu\n0.618448 0.425514 0.441407 Cu\n0.881552 0.425514 0.941407 Cu\n0.588698 0.877745 0.359333 P\n0.911302 0.877745 0.859333 P\n0.411302 0.122255 0.640667 P\n0.088698 0.122255 0.140667 P\n0.340724 0.505792 0.861839 P\n0.159276 0.505792 0.361839 P\n0.659276 0.494208 0.138161 P\n0.840724 0.494208 0.638161 P\n0.522451 0.689527 0.404212 O\n0.977549 0.689527 0.904212 O\n0.477549 0.310473 0.595788 O\n0.022451 0.310473 0.095788 O\n0.490893 0.030421 0.255387 O\n0.009107 0.030421 0.755387 O\n0.509107 0.969579 0.744613 O\n0.990893 0.969579 0.244613 O\n0.790151 0.896827 0.751253 O\n0.709849 0.896827 0.251253 O\n0.209849 0.103173 0.248747 O\n0.290151 0.103173 0.748747 O\n0.631676 0.892636 0.511239 O\n0.868324 0.892636 0.011239 O\n0.368324 0.107364 0.488761 O\n0.131676 0.107364 0.988761 O\n0.239077 0.640961 0.398605 O\n0.260923 0.640961 0.898605 O\n0.760923 0.359039 0.601395 O\n0.739077 0.359039 0.101395 O\n0.388928 0.341947 0.013443 O\n0.111072 0.341947 0.513443 O\n0.611072 0.658053 0.986557 O\n0.888928 0.658053 0.486557 O\n0.257713 0.449660 0.746699 O\n0.242287 0.449660 0.246699 O\n0.742287 0.550340 0.253301 O\n0.757713 0.550340 0.753301 O\n0.461524 0.606299 0.746746 O\n0.038476 0.606299 0.246746 O\n0.538476 0.393701 0.253254 O\n0.961524 0.393701 0.753254 O\n",
"nsites": 52,
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"elements": [
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"Fe",
"Cu",
"P",
"O"
],
"chemical_system": "Cu-Fe-O-P-Rb",
"density": 3.786805990811363,
"density_atomic": 0.07509110408085845,
"volume": 692.4921485240935,
"volume_molar": 8.019779218474842,
"formula_full": "Rb4 Fe4 Cu4 P8 O32",
"formula_reduced": "RbFeCu(PO4)2",
"formula_anonymous": "ABCD2E8",
"energy": -374.57503729,
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"updated_at": "2021-11-28T01:35:22.689000Z",
"spacegroup": 14
},
{
"id": "mp-1046446",
"created_at": "2022-09-04T14:40:58.158876Z",
"structure_string": "Sr2 Ca2 Cr2 P4 O16\n1.0\n5.918354 0.000000 0.000000\n-1.032959 6.854199 0.000000\n-2.026711 -3.412919 8.587149\nSr Ca Cr P O\n2 2 2 4 16\ndirect\n0.276592 0.810275 0.061725 Sr\n0.723408 0.189725 0.938275 Sr\n0.001095 0.419004 0.663742 Ca\n0.998905 0.580996 0.336258 Ca\n0.655028 0.843663 0.548483 Cr\n0.344972 0.156337 0.451517 Cr\n0.388297 0.416237 0.227063 P\n0.611703 0.583763 0.772937 P\n0.838937 0.028532 0.293324 P\n0.161063 0.971468 0.706676 P\n0.840053 0.563479 0.881248 O\n0.613086 0.453112 0.172412 O\n0.653231 0.800354 0.755364 O\n0.952860 0.091087 0.694157 O\n0.386914 0.546888 0.827588 O\n0.046048 0.735216 0.602729 O\n0.953952 0.264784 0.397271 O\n0.274146 0.005735 0.877051 O\n0.346769 0.199646 0.244636 O\n0.725854 0.994265 0.122949 O\n0.159947 0.436521 0.118752 O\n0.408362 0.586374 0.389640 O\n0.591638 0.413626 0.610360 O\n0.646561 0.938289 0.359984 O\n0.047140 0.908913 0.305843 O\n0.353439 0.061711 0.640016 O\n",
"nsites": 26,
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"elements": [
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"Ca",
"Cr",
"P",
"O"
],
"chemical_system": "Ca-Cr-O-P-Sr",
"density": 3.524095563985512,
"density_atomic": 0.074639152859268,
"volume": 348.34264597058,
"volume_molar": 8.068340179791077,
"formula_full": "Sr2 Ca2 Cr2 P4 O16",
"formula_reduced": "SrCaCr(PO4)2",
"formula_anonymous": "ABCD2E8",
"energy": -206.42059282,
"energy_per_atom": -7.93925357,
"energy_above_hull": null,
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"energy_uncorrected": -191.43059282,
"band_gap": 3.1243,
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"updated_at": "2021-11-28T01:35:12.479000Z",
"spacegroup": 2
},
{
"id": "mp-1342853",
"created_at": "2022-09-04T14:41:20.755089Z",
"structure_string": "Sr2 Zn2 Co2 P4 O16\n1.0\n5.505061 0.000000 0.000000\n-0.996135 6.941519 0.000000\n-1.973643 -3.644563 8.476235\nSr Zn Co P O\n2 2 2 4 16\ndirect\n0.198187 0.749376 0.050629 Sr\n0.801813 0.250624 0.949371 Sr\n0.344992 0.733791 0.645502 Zn\n0.655008 0.266209 0.354498 Zn\n0.073824 0.289377 0.559657 Co\n0.926176 0.710623 0.440343 Co\n0.158998 0.188841 0.236248 P\n0.841002 0.811159 0.763752 P\n0.540051 0.720693 0.302717 P\n0.459949 0.279307 0.697283 P\n0.917908 0.662536 0.893299 O\n0.453068 0.262918 0.212193 O\n0.897222 0.034672 0.760474 O\n0.257544 0.419417 0.695505 O\n0.546932 0.737082 0.787807 O\n0.420612 0.172182 0.578007 O\n0.579388 0.827818 0.421993 O\n0.396224 0.130119 0.865559 O\n0.102778 0.965328 0.239526 O\n0.603776 0.869881 0.134441 O\n0.082092 0.337464 0.106701 O\n0.977921 0.195652 0.395857 O\n0.022079 0.804348 0.604143 O\n0.255023 0.584747 0.367330 O\n0.742456 0.580583 0.304495 O\n0.744977 0.415253 0.632670 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Sr",
"Zn",
"Co",
"P",
"O"
],
"chemical_system": "Co-O-P-Sr-Zn",
"density": 4.12081173456994,
"density_atomic": 0.0802700820277858,
"volume": 323.90648350153674,
"volume_molar": 7.502347833549509,
"formula_full": "Sr2 Zn2 Co2 P4 O16",
"formula_reduced": "SrZnCo(PO4)2",
"formula_anonymous": "ABCD2E8",
"energy": -100.70129691,
"energy_per_atom": -3.873126804230769,
"energy_above_hull": null,
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"energy_uncorrected": -86.43329691,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:17.180000Z",
"spacegroup": 2
},
{
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{
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{
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{
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"structure_string": "K8 Sm4 Mo4 P4 O32\n1.0\n-3.549612 6.241172 10.011814\n3.549612 -6.241172 10.011814\n3.549612 6.241172 -10.011814\nK Sm Mo P O\n8 4 4 4 32\ndirect\n0.734604 0.689927 0.112978 K\n0.423052 0.810073 0.544678 K\n0.765396 0.878374 0.955322 K\n0.076948 0.621626 0.387022 K\n0.265396 0.310073 0.887022 K\n0.576948 0.189927 0.455322 K\n0.234604 0.121626 0.044678 K\n0.923052 0.378374 0.612978 K\n0.326324 0.750000 0.076324 Sm\n0.173676 0.250000 0.423676 Sm\n0.673676 0.250000 0.923676 Sm\n0.826324 0.750000 0.576324 Sm\n0.417401 0.667401 0.750000 Mo\n0.082599 0.832599 0.250000 Mo\n0.582599 0.332599 0.250000 Mo\n0.917401 0.167401 0.750000 Mo\n0.571859 0.750000 0.321859 P\n0.928141 0.250000 0.178141 P\n0.428141 0.250000 0.678141 P\n0.071859 0.750000 0.821859 P\n0.640614 0.909636 0.569952 O\n0.660316 0.590364 0.230979 O\n0.859386 0.429337 0.269021 O\n0.839684 0.070663 0.930048 O\n0.359386 0.090364 0.430048 O\n0.339684 0.409636 0.769021 O\n0.140614 0.570663 0.730979 O\n0.160316 0.929337 0.069952 O\n0.559068 0.834902 0.271296 O\n0.436394 0.665098 0.224166 O\n0.940932 0.212228 0.275834 O\n0.063606 0.287772 0.228704 O\n0.440932 0.165098 0.728704 O\n0.563606 0.334902 0.775834 O\n0.059068 0.787772 0.724166 O\n0.936394 0.712228 0.771296 O\n0.397820 0.820736 0.985932 O\n0.165196 0.679264 0.077084 O\n0.102180 0.088111 0.422916 O\n0.334804 0.411889 0.514068 O\n0.602180 0.179264 0.014068 O\n0.834804 0.320736 0.922916 O\n0.897820 0.911889 0.577084 O\n0.665196 0.588111 0.485932 O\n0.580843 0.659189 0.804352 O\n0.145163 0.840811 0.421653 O\n0.919157 0.723510 0.078347 O\n0.354837 0.776490 0.695648 O\n0.419157 0.340811 0.195648 O\n0.854837 0.159189 0.578347 O\n0.080843 0.276490 0.921653 O\n0.645163 0.223510 0.304352 O\n",
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{
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]
}