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{
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"results": [
{
"id": "mp-1647864",
"created_at": "2022-09-04T14:43:02.809490Z",
"structure_string": "Na8 Co4 Si4 C4 O28\n1.0\n0.030075 -0.000821 5.150565\n9.667754 0.008420 -0.198499\n0.011811 12.584490 -0.002199\nNa Co Si C O\n8 4 4 4 28\ndirect\n0.241281 0.242546 0.001470 Na\n0.253293 0.240962 0.500847 Na\n0.245586 0.242877 0.251788 Na\n0.244285 0.241762 0.746444 Na\n0.754315 0.757102 0.248211 Na\n0.755779 0.758224 0.753578 Na\n0.758752 0.757446 0.498522 Na\n0.746600 0.759035 0.999158 Na\n0.806380 0.377989 0.874846 Co\n0.193623 0.622009 0.625155 Co\n0.813409 0.398882 0.375750 Co\n0.186522 0.601105 0.124243 Co\n0.683292 0.423244 0.125833 Si\n0.679254 0.431533 0.624605 Si\n0.316652 0.576742 0.374154 Si\n0.320753 0.568461 0.875405 Si\n0.745139 0.061244 0.375606 C\n0.727234 0.070792 0.874179 C\n0.254757 0.938746 0.124394 C\n0.273009 0.929222 0.625826 C\n0.264901 0.070839 0.126748 O\n0.236468 0.059544 0.624719 O\n0.735017 0.929153 0.373242 O\n0.763763 0.940462 0.875293 O\n0.963355 0.125712 0.377797 O\n0.926560 0.154090 0.872822 O\n0.036547 0.874282 0.122205 O\n0.073643 0.845954 0.627174 O\n0.533725 0.129260 0.375797 O\n0.499561 0.120635 0.874436 O\n0.466174 0.870728 0.124210 O\n0.500680 0.879387 0.625564 O\n0.184398 0.420968 0.377338 O\n0.177345 0.416113 0.873026 O\n0.815539 0.579021 0.122659 O\n0.822655 0.583898 0.626974 O\n0.362094 0.428764 0.126606 O\n0.357749 0.444575 0.623005 O\n0.637853 0.571226 0.373387 O\n0.642238 0.555425 0.876996 O\n0.761859 0.334353 0.018746 O\n0.754929 0.343464 0.516427 O\n0.770531 0.340072 0.234639 O\n0.747549 0.338293 0.731105 O\n0.229401 0.659913 0.265352 O\n0.252425 0.661736 0.768906 O\n0.238108 0.665669 0.481240 O\n0.245016 0.656537 0.983571 O\n",
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"elements": [
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"Co",
"Si",
"C",
"O"
],
"chemical_system": "C-Co-Na-O-Si",
"density": 2.7238452435545857,
"density_atomic": 0.07659024443757032,
"volume": 626.7116700368467,
"volume_molar": 7.8628039435345105,
"formula_full": "Na8 Co4 Si4 C4 O28",
"formula_reduced": "Na2CoSiCO7",
"formula_anonymous": "ABCD2E7",
"energy": -335.18767486,
"energy_per_atom": -6.983076559583334,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -309.39967486,
"band_gap": 0.2361,
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"is_magnetic": true,
"total_magnetization": 0.3246045,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:56.737000Z",
"spacegroup": 2
},
{
"id": "mp-1194198",
"created_at": "2022-09-04T14:43:02.852930Z",
"structure_string": "La2 Fe10 H14\n1.0\n2.913026 -4.704695 0.000000\n2.913026 4.704695 0.000000\n0.000000 0.000000 8.271393\nLa Fe H\n2 10 14\ndirect\n0.000000 0.000000 0.500000 La\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.250000 Fe\n0.500000 0.500000 0.750000 Fe\n0.500000 0.000000 0.267299 Fe\n0.000000 0.500000 0.232701 Fe\n0.500000 0.000000 0.732701 Fe\n0.000000 0.500000 0.767299 Fe\n0.662447 0.355606 0.500000 Fe\n0.337553 0.644394 0.500000 Fe\n0.355606 0.662447 0.000000 Fe\n0.644394 0.337553 0.000000 Fe\n0.156183 0.843817 0.250000 H\n0.843817 0.156183 0.250000 H\n0.843817 0.156183 0.750000 H\n0.156183 0.843817 0.750000 H\n0.407291 0.199496 0.151743 H\n0.592709 0.800504 0.151743 H\n0.199496 0.407291 0.348257 H\n0.800504 0.592709 0.348257 H\n0.592709 0.800504 0.848257 H\n0.407291 0.199496 0.848257 H\n0.800504 0.592709 0.651743 H\n0.199496 0.407291 0.651743 H\n0.500000 0.000000 0.500000 H\n0.000000 0.500000 0.000000 H\n",
"nsites": 26,
"nelements": 3,
"elements": [
"La",
"Fe",
"H"
],
"chemical_system": "Fe-H-La",
"density": 6.228358666608821,
"density_atomic": 0.11468031086429123,
"volume": 226.71720894415358,
"volume_molar": 5.251242096061631,
"formula_full": "La2 Fe10 H14",
"formula_reduced": "LaFe5H7",
"formula_anonymous": "AB5C7",
"energy": -146.94441116,
"energy_per_atom": -5.651708121538461,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -144.43841116,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:03.882000Z",
"spacegroup": 66
},
{
"id": "mp-1047054",
"created_at": "2022-09-04T14:43:02.855778Z",
"structure_string": "Sr4 Y4 Fe4 O14\n1.0\n-2.824419 2.908020 11.965962\n2.824419 -2.908020 11.965962\n2.824419 2.908020 -11.965962\nSr Y Fe O\n4 4 4 14\ndirect\n0.827095 0.844616 0.959197 Sr\n0.172905 0.132103 0.017521 Sr\n0.614582 0.632103 0.959197 Sr\n0.385418 0.344616 0.017521 Sr\n0.500000 0.486078 0.986078 Y\n0.000000 0.986078 0.986078 Y\n0.197215 0.765791 0.463006 Y\n0.802785 0.265791 0.568577 Y\n0.930938 0.404204 0.486907 Fe\n0.069062 0.555969 0.473266 Fe\n0.582703 0.055969 0.486907 Fe\n0.417297 0.904204 0.473266 Fe\n0.839697 0.653595 0.993292 O\n0.160303 0.153595 0.813898 O\n0.740195 0.694249 0.555174 O\n0.259805 0.814979 0.954054 O\n0.360925 0.314979 0.555174 O\n0.639075 0.194249 0.954054 O\n0.135144 0.120157 0.386317 O\n0.864856 0.251173 0.985014 O\n0.766160 0.751173 0.386317 O\n0.233840 0.620157 0.985014 O\n0.390307 0.761415 0.485978 O\n0.609693 0.095671 0.371107 O\n0.224563 0.595671 0.485978 O\n0.775437 0.261415 0.371107 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Sr",
"Y",
"Fe",
"O"
],
"chemical_system": "Fe-O-Sr-Y",
"density": 4.872178147915754,
"density_atomic": 0.06613619785793311,
"volume": 393.1281331873733,
"volume_molar": 9.105665210655344,
"formula_full": "Sr4 Y4 Fe4 O14",
"formula_reduced": "Sr2Y2Fe2O7",
"formula_anonymous": "A2B2C2D7",
"energy": -209.54031217,
"energy_per_atom": -8.059242775769231,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:03.761000Z",
"spacegroup": 46
},
{
"id": "mp-773109",
"created_at": "2022-09-04T14:43:02.970600Z",
"structure_string": "Cr1 Sn3 P6 O24\n1.0\n7.830640 -4.351966 0.000000\n7.830640 4.351966 0.000000\n5.411986 0.000000 7.139253\nCr Sn P O\n1 3 6 24\ndirect\n0.856622 0.856622 0.856622 Cr\n0.143160 0.143160 0.143160 Sn\n0.358164 0.358164 0.358164 Sn\n0.643086 0.643086 0.643086 Sn\n0.035528 0.468020 0.749849 P\n0.468020 0.749849 0.035528 P\n0.749849 0.035528 0.468020 P\n0.244211 0.960725 0.542714 P\n0.542714 0.244211 0.960725 P\n0.960725 0.542714 0.244211 P\n0.131036 0.524346 0.263115 O\n0.263115 0.131036 0.524346 O\n0.059847 0.290816 0.920055 O\n0.524345 0.263115 0.131036 O\n0.214406 0.454630 0.577337 O\n0.993520 0.643259 0.786861 O\n0.290816 0.920055 0.059847 O\n0.454630 0.577337 0.214406 O\n0.577337 0.214406 0.454630 O\n0.216802 0.986884 0.375453 O\n0.064387 0.928801 0.721355 O\n0.375453 0.216802 0.986884 O\n0.643259 0.786861 0.993520 O\n0.920055 0.059847 0.290816 O\n0.786861 0.993520 0.643259 O\n0.409083 0.779392 0.574756 O\n0.574756 0.409083 0.779392 O\n0.721355 0.064387 0.928801 O\n0.986884 0.375453 0.216802 O\n0.779392 0.574756 0.409083 O\n0.490026 0.720951 0.870803 O\n0.928801 0.721355 0.064387 O\n0.720951 0.870803 0.490026 O\n0.870803 0.490026 0.720951 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
"Cr",
"Sn",
"P",
"O"
],
"chemical_system": "Cr-O-P-Sn",
"density": 3.3373528426987025,
"density_atomic": 0.06987364457361332,
"volume": 486.59262311958406,
"volume_molar": 8.618615497658135,
"formula_full": "Cr1 Sn3 P6 O24",
"formula_reduced": "CrSn3(PO4)6",
"formula_anonymous": "AB3C6D24",
"energy": -252.71107557,
"energy_per_atom": -7.432678693235294,
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"updated_at": "2021-11-28T01:36:03.469000Z",
"spacegroup": 146
},
{
"id": "mp-1180728",
"created_at": "2022-09-04T14:43:03.020377Z",
"structure_string": "Mg2 As2 N2 O20\n1.0\n5.681778 0.000000 0.000000\n-0.432281 6.592462 0.000000\n-0.230170 -0.440192 12.293652\nMg As N O\n2 2 2 20\ndirect\n0.186618 0.491122 0.320811 Mg\n0.753085 0.964933 0.827296 Mg\n0.594074 0.619308 0.688159 As\n0.419433 0.126682 0.182354 As\n0.149029 0.470140 0.058854 N\n0.857462 0.979100 0.554427 N\n0.497889 0.721050 0.807698 O\n0.344908 0.182776 0.721815 O\n0.646311 0.679883 0.230640 O\n0.575166 0.204276 0.294921 O\n0.832416 0.429745 0.769115 O\n0.174872 0.932201 0.269813 O\n0.299527 0.468910 0.998990 O\n0.703187 0.961060 0.493724 O\n0.160723 0.747425 0.224562 O\n0.209041 0.332208 0.180721 O\n0.815264 0.830660 0.674834 O\n0.820507 0.243036 0.727595 O\n0.094562 0.650144 0.462734 O\n0.114084 0.313001 0.453367 O\n0.908954 0.810492 0.955465 O\n0.869154 0.146042 0.963935 O\n0.572508 0.617913 0.319311 O\n0.395901 0.122378 0.813552 O\n0.065832 0.474708 0.519294 O\n0.939496 0.980808 0.020010 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Mg",
"As",
"N",
"O"
],
"chemical_system": "As-Mg-N-O",
"density": 1.9705632193000184,
"density_atomic": 0.05646255631617256,
"volume": 460.4821619199842,
"volume_molar": 10.665724602120218,
"formula_full": "Mg2 As2 N2 O20",
"formula_reduced": "MgAsNO10",
"formula_anonymous": "ABCD10",
"energy": -138.29433204,
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"energy_above_hull": null,
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"band_gap": 0.2746,
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"updated_at": "2021-11-28T01:36:12.886000Z",
"spacegroup": 1
},
{
"id": "mp-555396",
"created_at": "2022-09-04T14:43:02.857066Z",
"structure_string": "Mg8 P4 Cl4 O16\n1.0\n4.864961 0.000000 0.000000\n0.000000 8.010693 0.000000\n0.000000 0.000000 11.067949\nMg P Cl O\n8 4 4 16\ndirect\n0.507207 0.163279 0.627517 Mg\n0.007207 0.836721 0.372483 Mg\n0.000539 0.401638 0.378293 Mg\n0.007207 0.663279 0.872483 Mg\n0.507207 0.336721 0.127517 Mg\n0.500539 0.901638 0.121707 Mg\n0.000539 0.098362 0.878293 Mg\n0.500539 0.598362 0.621707 Mg\n0.952856 0.120501 0.166352 P\n0.452856 0.879499 0.833648 P\n0.952856 0.379499 0.666352 P\n0.452856 0.620501 0.333648 P\n0.257645 0.378050 0.937876 Cl\n0.757645 0.621950 0.062124 Cl\n0.757645 0.878050 0.562124 Cl\n0.257645 0.121950 0.437876 Cl\n0.347282 0.460199 0.270443 O\n0.347866 0.778322 0.266914 O\n0.768711 0.619612 0.348178 O\n0.847866 0.221678 0.733086 O\n0.796795 0.123140 0.042052 O\n0.268711 0.380388 0.651822 O\n0.768711 0.880388 0.848178 O\n0.847282 0.539801 0.729557 O\n0.796795 0.376860 0.542052 O\n0.347866 0.721678 0.766914 O\n0.296795 0.623140 0.457948 O\n0.268711 0.119612 0.151822 O\n0.296795 0.876860 0.957948 O\n0.847282 0.960199 0.229557 O\n0.847866 0.278322 0.233086 O\n0.347282 0.039801 0.770443 O\n",
"nsites": 32,
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"elements": [
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"P",
"Cl",
"O"
],
"chemical_system": "Cl-Mg-O-P",
"density": 2.7569499447894428,
"density_atomic": 0.07418795121143863,
"volume": 431.33688796444477,
"volume_molar": 8.117410794694488,
"formula_full": "Mg8 P4 Cl4 O16",
"formula_reduced": "Mg2PClO4",
"formula_anonymous": "ABC2D4",
"energy": -213.8022618,
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"updated_at": "2021-11-28T01:36:08.206000Z",
"spacegroup": 33
},
{
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