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{
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"results": [
{
"id": "mp-1045802",
"created_at": "2022-09-04T14:45:37.959644Z",
"structure_string": "Ba4 Mg2 Cu2 Ag4 F28\n1.0\n-5.372391 0.000000 0.000000\n2.676716 7.174109 0.000000\n-0.100800 -0.396349 -15.276802\nBa Mg Cu Ag F\n4 2 2 4 28\ndirect\n0.725657 0.630137 0.374293 Ba\n0.902351 0.629624 0.874633 Ba\n0.274343 0.369863 0.625707 Ba\n0.097649 0.370376 0.125367 Ba\n0.429070 0.002153 0.248190 Mg\n0.570930 0.997847 0.751810 Mg\n0.500000 0.000000 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.854714 0.765735 0.127755 Ag\n0.145286 0.234265 0.872245 Ag\n0.907613 0.766865 0.627765 Ag\n0.092387 0.233135 0.372235 Ag\n0.878487 0.028006 0.666588 F\n0.579572 0.716691 0.541181 F\n0.420428 0.283309 0.458819 F\n0.133942 0.510704 0.402878 F\n0.532556 0.914399 0.385724 F\n0.616614 0.083949 0.113564 F\n0.135037 0.716285 0.040765 F\n0.860544 0.971742 0.833848 F\n0.026675 0.654461 0.228434 F\n0.866058 0.489296 0.597122 F\n0.567355 0.791717 0.223007 F\n0.626733 0.488489 0.096166 F\n0.217692 0.789273 0.722691 F\n0.432645 0.208283 0.776993 F\n0.383386 0.916051 0.886436 F\n0.973325 0.345539 0.771566 F\n0.293197 0.150134 0.990371 F\n0.121513 0.971994 0.333412 F\n0.706803 0.849866 0.009629 F\n0.853172 0.151275 0.490665 F\n0.864963 0.283715 0.959235 F\n0.782308 0.210727 0.277309 F\n0.622862 0.658131 0.730008 F\n0.146828 0.848725 0.509335 F\n0.467444 0.085601 0.614276 F\n0.139456 0.028258 0.166152 F\n0.377138 0.341869 0.269992 F\n0.373267 0.511511 0.903834 F\n",
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"formula_full": "Ba4 Mg2 Cu2 Ag4 F28",
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},
{
"id": "mp-18849",
"created_at": "2022-09-04T14:45:37.974302Z",
"structure_string": "Fe2 P2 O7\n1.0\n4.576636 0.000000 0.000000\n-0.849054 5.230625 0.000000\n-0.841678 -1.466688 5.363742\nFe P O\n2 2 7\ndirect\n0.518961 0.175894 0.798242 Fe\n0.481039 0.824106 0.201758 Fe\n0.091208 0.287210 0.288539 P\n0.908792 0.712790 0.711461 P\n0.788188 0.120096 0.130938 O\n0.273551 0.439711 0.140899 O\n0.277349 0.124428 0.420595 O\n0.000000 0.500000 0.500000 O\n0.211812 0.879904 0.869062 O\n0.726449 0.560289 0.859101 O\n0.722651 0.875572 0.579405 O\n",
"nsites": 11,
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"elements": [
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],
"chemical_system": "Fe-O-P",
"density": 3.693942525701894,
"density_atomic": 0.08566922689488324,
"volume": 128.4008318821072,
"volume_molar": 7.02952621177405,
"formula_full": "Fe2 P2 O7",
"formula_reduced": "Fe2P2O7",
"formula_anonymous": "A2B2C7",
"energy": -88.50406046999998,
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"updated_at": "2021-11-28T01:37:04.276000Z",
"spacegroup": 2
},
{
"id": "mp-1246770",
"created_at": "2022-09-04T14:45:38.267878Z",
"structure_string": "Mg1 V4 S8\n1.0\n6.049940 0.000167 3.490839\n2.015533 5.703539 3.493029\n-0.001420 0.001690 6.984124\nMg V S\n1 4 8\ndirect\n0.124776 0.125129 0.125061 Mg\n0.514830 0.514629 0.514672 V\n0.514764 0.514721 0.955825 V\n0.955896 0.514646 0.514745 V\n0.514762 0.955801 0.514760 V\n0.750599 0.750471 0.750598 S\n0.264902 0.264682 0.705651 S\n0.264790 0.705719 0.264623 S\n0.705630 0.264805 0.264818 S\n0.750457 0.248313 0.750779 S\n0.248565 0.750484 0.750293 S\n0.264745 0.264854 0.264735 S\n0.750299 0.750742 0.248423 S\n",
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"elements": [
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],
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"volume": 240.99676011956637,
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"formula_full": "Mg1 V4 S8",
"formula_reduced": "Mg(VS2)4",
"formula_anonymous": "AB4C8",
"energy": -87.51356517,
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},
{
"id": "mp-1207652",
"created_at": "2022-09-04T14:45:53.197941Z",
"structure_string": "Zn4 W8 S4 O12\n1.0\n7.885295 0.850865 0.757611\n1.449385 8.836536 -0.108530\n0.934727 -0.368328 8.433983\nZn W S O\n4 8 4 12\ndirect\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n0.512879 0.988916 0.249711 Zn\n0.487121 0.011084 0.750289 Zn\n0.416214 0.590000 0.214217 W\n0.583786 0.410000 0.785783 W\n0.184413 0.430540 0.528394 W\n0.815587 0.569460 0.471606 W\n0.731841 0.287113 0.084576 W\n0.268159 0.712887 0.915424 W\n0.003946 0.767250 0.236239 W\n0.996054 0.232750 0.763761 W\n0.340546 0.245054 0.051370 S\n0.659454 0.754946 0.948630 S\n0.738798 0.084390 0.462764 S\n0.261202 0.915610 0.537236 S\n0.725262 0.002268 0.618170 O\n0.274738 0.997732 0.381830 O\n0.251807 0.051655 0.678160 O\n0.748193 0.948345 0.321840 O\n0.271137 0.106582 0.053945 O\n0.728863 0.893418 0.946055 O\n0.552234 0.767046 0.132410 O\n0.447766 0.232954 0.867590 O\n0.556167 0.190800 0.465097 O\n0.443833 0.809200 0.534903 O\n0.501620 0.193325 0.145773 O\n0.498380 0.806675 0.854227 O\n",
"nsites": 28,
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"elements": [
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"W",
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],
"chemical_system": "O-S-W-Zn",
"density": 5.977572675261609,
"density_atomic": 0.04910521448840455,
"volume": 570.2042093026959,
"volume_molar": 12.263750037019056,
"formula_full": "Zn4 W8 S4 O12",
"formula_reduced": "ZnW2SO3",
"formula_anonymous": "ABC2D3",
"energy": -178.80045169,
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"updated_at": "2021-11-28T01:37:07.664000Z",
"spacegroup": 2
},
{
"id": "mp-1518297",
"created_at": "2022-09-04T14:45:38.479924Z",
"structure_string": "Ba2 Eu2 Y2 Sb2 O12\n1.0\n5.959057 0.014528 0.009034\n0.016193 5.973992 -0.011476\n0.014416 -0.014710 8.435103\nBa Eu Y Sb O\n2 2 2 2 12\ndirect\n0.995784 0.017725 0.249828 Ba\n0.004216 0.982275 0.750172 Ba\n0.503823 0.527388 0.251098 Eu\n0.496177 0.472612 0.748902 Eu\n0.500000 0.000000 0.000000 Y\n0.000000 0.500000 0.500000 Y\n0.000000 0.500000 0.000000 Sb\n0.500000 0.000000 0.500000 Sb\n0.211437 0.239526 0.968374 O\n0.297830 0.730989 0.533947 O\n0.788563 0.760474 0.031626 O\n0.702170 0.269011 0.466053 O\n0.266008 0.705008 0.963261 O\n0.240281 0.213426 0.527852 O\n0.733992 0.294992 0.036739 O\n0.759719 0.786574 0.472148 O\n0.449164 0.977280 0.264028 O\n0.073386 0.497832 0.235283 O\n0.550836 0.022720 0.735972 O\n0.926614 0.502168 0.764717 O\n",
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"elements": [
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],
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"formula_full": "Ba2 Eu2 Y2 Sb2 O12",
"formula_reduced": "BaEuYSbO6",
"formula_anonymous": "ABCDE6",
"energy": -165.92733015,
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"updated_at": "2021-11-28T01:37:02.528000Z",
"spacegroup": 2
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{
"id": "mp-776640",
"created_at": "2022-09-04T14:45:52.820201Z",
"structure_string": "Ti5 Cr1 P6 O24\n1.0\n7.268669 -4.358402 0.000000\n7.268669 4.358402 0.000000\n4.655307 0.000000 7.082185\nTi Cr P O\n5 1 6 24\ndirect\n0.997188 0.997188 0.997188 Ti\n0.500406 0.500406 0.500406 Ti\n0.858428 0.858428 0.858428 Ti\n0.641190 0.641190 0.641190 Ti\n0.360038 0.360038 0.360038 Ti\n0.141772 0.141772 0.141772 Cr\n0.958498 0.250793 0.539492 P\n0.539492 0.958498 0.250793 P\n0.753859 0.455326 0.041914 P\n0.455326 0.041914 0.753859 P\n0.041914 0.753859 0.455326 P\n0.250793 0.539492 0.958498 P\n0.885417 0.683393 0.497865 O\n0.683393 0.497865 0.885417 O\n0.942628 0.093525 0.738993 O\n0.497865 0.885417 0.683393 O\n0.992440 0.185282 0.385006 O\n0.758539 0.407129 0.559363 O\n0.738993 0.942628 0.093525 O\n0.559363 0.758539 0.407129 O\n0.821301 0.613434 0.000486 O\n0.407129 0.559363 0.758539 O\n0.908561 0.256322 0.056574 O\n0.613434 0.000486 0.821301 O\n0.385006 0.992440 0.185282 O\n0.093525 0.738993 0.942628 O\n0.596715 0.442184 0.240300 O\n0.185282 0.385006 0.992440 O\n0.442184 0.240300 0.596715 O\n0.256322 0.056574 0.908561 O\n0.240300 0.596715 0.442184 O\n0.000486 0.821301 0.613434 O\n0.501621 0.114129 0.319891 O\n0.056574 0.908561 0.256322 O\n0.319891 0.501621 0.114129 O\n0.114129 0.319891 0.501621 O\n",
"nsites": 36,
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"elements": [
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],
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"formula_full": "Ti5 Cr1 P6 O24",
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"spacegroup": 146
},
{
"id": "mp-1233156",
"created_at": "2022-09-04T14:45:43.335934Z",
"structure_string": "K1 Mg1 Ni2 H3 Se2 O10\n1.0\n4.383813 3.238282 -2.395326\n4.384385 -3.238190 -2.394074\n0.789444 0.001502 -8.538737\nK Mg Ni H Se O\n1 1 2 3 2 10\ndirect\n0.483260 0.484002 0.453761 K\n0.565323 0.565545 0.766871 Mg\n0.016999 0.509805 0.977079 Ni\n0.509308 0.017288 0.977294 Ni\n0.823921 0.824209 0.732328 H\n0.183762 0.183371 0.307412 H\n0.377026 0.373798 0.168048 H\n0.889940 0.890087 0.248132 Se\n0.114146 0.114371 0.665595 Se\n0.749622 0.749917 0.480341 O\n0.038787 0.038903 0.527731 O\n0.217082 0.790388 0.190826 O\n0.789981 0.217269 0.190835 O\n0.812172 0.216180 0.817567 O\n0.215953 0.812456 0.817460 O\n0.721054 0.721346 0.858897 O\n0.277613 0.276807 0.168322 O\n0.778645 0.778640 0.154133 O\n0.330788 0.331001 0.820033 O\n",
"nsites": 19,
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"elements": [
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"formula_full": "K1 Mg1 Ni2 H3 Se2 O10",
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{
"id": "mp-731639",
"created_at": "2022-09-04T14:45:43.339331Z",
"structure_string": "Ca4 Re8 O40\n1.0\n3.615963 9.908964 0.000000\n-3.615963 9.908964 0.000000\n0.000000 5.995246 13.008262\nCa Re O\n4 8 40\ndirect\n0.733826 0.986216 0.446602 Ca\n0.013784 0.266174 0.053398 Ca\n0.266174 0.013784 0.553398 Ca\n0.986216 0.733826 0.946602 Ca\n0.818679 0.532561 0.422678 Re\n0.467439 0.181321 0.077322 Re\n0.181321 0.467439 0.577322 Re\n0.532561 0.818679 0.922678 Re\n0.816539 0.036122 0.682939 Re\n0.963878 0.183461 0.817061 Re\n0.183461 0.963878 0.317061 Re\n0.036122 0.816539 0.182939 Re\n0.751113 0.405042 0.764276 O\n0.594958 0.248887 0.735724 O\n0.248887 0.594958 0.235724 O\n0.405042 0.751113 0.264276 O\n0.009431 0.639027 0.490549 O\n0.360973 0.990569 0.009451 O\n0.990569 0.360973 0.509451 O\n0.639027 0.009431 0.990549 O\n0.943425 0.533512 0.300337 O\n0.466488 0.056575 0.199663 O\n0.056575 0.466488 0.699663 O\n0.533512 0.943425 0.800337 O\n0.131921 0.422095 0.905186 O\n0.577905 0.868079 0.594814 O\n0.868079 0.577905 0.094814 O\n0.422095 0.131921 0.405186 O\n0.221369 0.381603 0.040705 O\n0.618397 0.778631 0.459295 O\n0.778631 0.618397 0.959295 O\n0.381603 0.221369 0.540705 O\n0.084326 0.172883 0.219608 O\n0.827117 0.915674 0.280392 O\n0.915674 0.827117 0.780392 O\n0.172883 0.084326 0.719608 O\n0.988482 0.049262 0.630267 O\n0.950738 0.011518 0.869733 O\n0.011518 0.950738 0.369733 O\n0.049262 0.988482 0.130267 O\n0.277334 0.546309 0.576804 O\n0.453691 0.722667 0.923196 O\n0.722667 0.453691 0.423196 O\n0.546309 0.277334 0.076804 O\n0.347254 0.544285 0.887094 O\n0.455715 0.652746 0.612906 O\n0.652746 0.455715 0.112906 O\n0.544285 0.347254 0.387094 O\n0.984818 0.228772 0.913547 O\n0.771228 0.015182 0.586453 O\n0.015182 0.771228 0.086453 O\n0.228772 0.984818 0.413547 O\n",
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"volume": 932.183689310038,
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"formula_full": "Ca4 Re8 O40",
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},
{
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"structure_string": "Li6 Mn6 P6 O24\n1.0\n5.141600 -7.045193 0.000000\n5.141600 7.045193 0.000000\n-4.511961 0.000000 7.464115\nLi Mn P O\n6 6 6 24\ndirect\n0.890984 0.129141 0.721470 Li\n0.427810 0.212825 0.610199 Li\n0.610199 0.427810 0.212825 Li\n0.129141 0.721470 0.890984 Li\n0.212825 0.610199 0.427810 Li\n0.721470 0.890984 0.129141 Li\n0.455163 0.054321 0.229743 Mn\n0.769581 0.538315 0.944270 Mn\n0.054321 0.229743 0.455163 Mn\n0.944270 0.769581 0.538315 Mn\n0.229743 0.455163 0.054321 Mn\n0.538315 0.944270 0.769581 Mn\n0.281099 0.098625 0.872232 P\n0.790206 0.384984 0.571111 P\n0.872232 0.281099 0.098625 P\n0.384984 0.571111 0.790206 P\n0.571111 0.790206 0.384984 P\n0.098625 0.872232 0.281099 P\n0.960931 0.294345 0.969189 O\n0.393976 0.094765 0.764710 O\n0.081155 0.033822 0.743386 O\n0.897805 0.272713 0.583787 O\n0.289952 0.023428 0.356990 O\n0.743386 0.081155 0.033822 O\n0.683445 0.362383 0.683160 O\n0.654680 0.315663 0.373817 O\n0.315663 0.373817 0.654680 O\n0.921449 0.586505 0.648282 O\n0.764710 0.393976 0.094765 O\n0.356990 0.289952 0.023428 O\n0.586505 0.648282 0.921449 O\n0.272713 0.583787 0.897805 O\n0.023428 0.356990 0.289952 O\n0.362383 0.683160 0.683445 O\n0.683160 0.683445 0.362383 O\n0.373817 0.654680 0.315663 O\n0.648282 0.921449 0.586505 O\n0.969189 0.960931 0.294345 O\n0.294345 0.969189 0.960931 O\n0.094765 0.764710 0.393976 O\n0.583787 0.897805 0.272713 O\n0.033822 0.743386 0.081155 O\n",
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{
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"created_at": "2022-09-04T14:45:43.360242Z",
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"volume": 3341.329965280776,
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"formula_reduced": "Y2Te3",
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"updated_at": "2021-11-28T01:37:13.322000Z",
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{
"id": "mp-1095768",
"created_at": "2022-09-04T14:45:53.239139Z",
"structure_string": "Y2 Zn1 Cd1\n1.0\n-6.192127 6.335485 8.967926\n6.192127 -6.335485 8.967926\n6.192127 6.335485 -8.967926\nY Zn Cd\n2 1 1\ndirect\n0.000000 0.242563 0.242563 Y\n0.000000 0.757437 0.757437 Y\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Cd\n",
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"elements": [
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],
"chemical_system": "Cd-Y-Zn",
"density": 0.41964092325499497,
"density_atomic": 0.0028424200760182646,
"volume": 1407.251529690609,
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"formula_full": "Y2 Zn1 Cd1",
"formula_reduced": "Y2ZnCd",
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"updated_at": "2021-11-28T01:37:15.128000Z",
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{
"id": "mp-1264530",
"created_at": "2022-09-04T14:45:38.298201Z",
"structure_string": "Si2 Tc1 Rh1\n1.0\n-7.851646 0.000000 -4.533149\n-6.977256 0.005096 3.018664\n-4.945370 5.752140 -0.500668\nSi Tc Rh\n2 1 1\ndirect\n0.746316 0.000000 0.000000 Si\n0.253684 0.000000 0.000000 Si\n0.000000 0.000000 0.000000 Tc\n0.500000 0.000000 0.000000 Rh\n",
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"formula_full": "Si2 Tc1 Rh1",
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]
}