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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-elements&page=41",
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"results": [
{
"id": "mp-1218731",
"created_at": "2022-09-04T14:41:36.382798Z",
"structure_string": "Sr5 Ce1 Nd3 Cu4 Pb1 O18\n1.0\n2.739493 -15.175804 0.000000\n2.739493 15.175804 0.000000\n0.000000 0.000000 5.476209\nSr Ce Nd Cu Pb O\n5 1 3 4 1 18\ndirect\n0.912171 0.087829 0.500000 Sr\n0.412180 0.587820 0.000000 Sr\n0.587968 0.412032 0.000000 Sr\n0.087260 0.912740 0.500000 Sr\n0.000032 0.999968 0.000000 Sr\n0.709138 0.290862 0.000000 Ce\n0.293143 0.706857 0.000000 Nd\n0.793135 0.206865 0.500000 Nd\n0.206119 0.793881 0.500000 Nd\n0.857794 0.142206 0.000000 Cu\n0.354096 0.645904 0.500000 Cu\n0.646576 0.353424 0.500000 Cu\n0.142885 0.857115 0.000000 Cu\n0.499987 0.500013 0.500000 Pb\n0.923329 0.076671 0.000000 O\n0.429936 0.570064 0.500000 O\n0.570142 0.429858 0.500000 O\n0.076711 0.923289 0.000000 O\n0.102717 0.403865 0.746657 O\n0.596135 0.897283 0.253343 O\n0.596135 0.897283 0.746657 O\n0.102717 0.403865 0.253343 O\n0.407212 0.104641 0.749360 O\n0.895359 0.592788 0.250640 O\n0.895359 0.592788 0.749360 O\n0.407212 0.104641 0.250640 O\n0.993179 0.496013 0.755542 O\n0.503987 0.006821 0.244458 O\n0.503987 0.006821 0.755542 O\n0.993179 0.496013 0.244458 O\n0.500020 0.499980 0.000000 O\n0.000200 0.999800 0.500000 O\n",
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],
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"density": 6.419594883608028,
"density_atomic": 0.07027778484148443,
"volume": 455.33592261306796,
"volume_molar": 8.569053184563632,
"formula_full": "Sr5 Ce1 Nd3 Cu4 Pb1 O18",
"formula_reduced": "Sr5CeNd3Cu4PbO18",
"formula_anonymous": "ABC3D4E5F18",
"energy": -221.30675216,
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"energy_uncorrected": -208.94075216,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.935000Z",
"spacegroup": 38
},
{
"id": "mp-1218883",
"created_at": "2022-09-04T14:39:06.719864Z",
"structure_string": "Sr2 Ce1 Eu1 Cu2 Ru1 O10\n1.0\n2.757917 2.754192 0.000000\n-2.757917 2.754192 0.000000\n0.000000 2.744289 14.470642\nSr Ce Eu Cu Ru O\n2 1 1 2 1 10\ndirect\n0.575212 0.575212 0.841196 Sr\n0.417173 0.417173 0.152500 Sr\n0.293366 0.293366 0.412160 Ce\n0.704135 0.704135 0.590787 Eu\n0.141137 0.141137 0.713880 Cu\n0.854858 0.854858 0.286073 Cu\n0.972774 0.972774 0.000318 Ru\n0.062765 0.062765 0.866099 O\n0.926074 0.926074 0.136416 O\n0.645883 0.146563 0.704518 O\n0.146563 0.645883 0.704518 O\n0.348206 0.848898 0.299535 O\n0.848898 0.348206 0.299535 O\n0.752719 0.252706 0.494105 O\n0.252706 0.752719 0.494105 O\n0.474413 0.954117 0.002127 O\n0.954117 0.474413 0.002127 O\n",
"nsites": 17,
"nelements": 6,
"elements": [
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"Ce",
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"Cu",
"Ru",
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],
"chemical_system": "Ce-Cu-Eu-O-Ru-Sr",
"density": 6.461952007932866,
"density_atomic": 0.07733137317971936,
"volume": 219.83315827706465,
"volume_molar": 7.787448369763778,
"formula_full": "Sr2 Ce1 Eu1 Cu2 Ru1 O10",
"formula_reduced": "Sr2CeEuCu2RuO10",
"formula_anonymous": "ABCD2E2F10",
"energy": -128.06651369,
"energy_per_atom": -7.533324334705882,
"energy_above_hull": null,
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"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 3.9050614,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.413000Z",
"spacegroup": 8
},
{
"id": "mp-1233087",
"created_at": "2022-09-04T14:44:14.666043Z",
"structure_string": "Sr2 Ca1 Zn2 Sn2 P4 O16\n1.0\n6.105255 -0.535484 -1.670257\n-1.978970 7.378019 -2.254814\n-1.129985 0.109688 9.552014\nSr Ca Zn Sn P O\n2 1 2 2 4 16\ndirect\n0.255223 0.630904 0.950405 Sr\n0.744777 0.369096 0.049595 Sr\n0.000000 0.000000 0.000000 Ca\n0.157817 0.248403 0.579323 Zn\n0.842183 0.751597 0.420677 Zn\n0.524613 0.820077 0.515361 Sn\n0.475387 0.179923 0.484639 Sn\n0.321437 0.415228 0.206089 P\n0.678563 0.584772 0.793911 P\n0.737752 0.032920 0.262453 P\n0.262248 0.967080 0.737547 P\n0.881823 0.667804 0.973333 O\n0.562995 0.526315 0.206641 O\n0.653208 0.753937 0.746199 O\n0.091452 0.078331 0.692844 O\n0.437005 0.473685 0.793359 O\n0.189301 0.797134 0.576468 O\n0.810699 0.202866 0.423532 O\n0.212532 0.890324 0.859362 O\n0.346792 0.246063 0.253801 O\n0.787468 0.109676 0.140638 O\n0.118177 0.332195 0.026667 O\n0.237519 0.544667 0.305014 O\n0.762481 0.455333 0.694986 O\n0.468272 0.911262 0.198775 O\n0.908548 0.921669 0.307156 O\n0.531728 0.088738 0.801225 O\n",
"nsites": 27,
"nelements": 6,
"elements": [
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"Ca",
"Zn",
"Sn",
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"O"
],
"chemical_system": "Ca-O-P-Sn-Sr-Zn",
"density": 3.9334171804328637,
"density_atomic": 0.06638337842062443,
"volume": 406.7283202870473,
"volume_molar": 9.07175998461838,
"formula_full": "Sr2 Ca1 Zn2 Sn2 P4 O16",
"formula_reduced": "Sr2CaZn2Sn2(PO4)4",
"formula_anonymous": "AB2C2D2E4F16",
"energy": -187.21569023,
"energy_per_atom": -6.933914452962963,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -176.22369023,
"band_gap": 0.5824999999999996,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:28.652000Z",
"spacegroup": 2
},
{
"id": "mp-1173215",
"created_at": "2022-09-04T14:48:06.372152Z",
"structure_string": "Sr4 Ca1 Y1 Ga2 Cu4 O14\n1.0\n7.087252 0.000000 0.000000\n-2.189035 7.364391 0.000000\n-0.860554 -1.643873 7.938919\nSr Ca Y Ga Cu O\n4 1 1 2 4 14\ndirect\n0.030754 0.602138 0.747433 Sr\n0.819862 0.749340 0.183600 Sr\n0.068929 0.120181 0.565989 Sr\n0.253694 0.584903 0.192468 Sr\n0.026112 0.135525 0.985377 Ca\n0.505658 0.999986 0.504288 Y\n0.562636 0.416281 0.435530 Ga\n0.631559 0.761704 0.737516 Ga\n0.435118 0.477130 0.849570 Cu\n0.386851 0.964737 0.087201 Cu\n0.605312 0.283938 0.042796 Cu\n0.860465 0.288252 0.299172 Cu\n0.888752 0.372274 0.097894 O\n0.964761 0.088302 0.253247 O\n0.704899 0.615115 0.870336 O\n0.786417 0.331861 0.514595 O\n0.552065 0.467978 0.220162 O\n0.537635 0.654318 0.518292 O\n0.521892 0.875654 0.246264 O\n0.349231 0.135610 0.969458 O\n0.380333 0.222544 0.485845 O\n0.764735 0.998826 0.733705 O\n0.243410 0.877130 0.637685 O\n0.168050 0.377575 0.836980 O\n0.161196 0.803887 0.452193 O\n0.123675 0.794809 0.032404 O\n",
"nsites": 26,
"nelements": 6,
"elements": [
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"Ca",
"Y",
"Ga",
"Cu",
"O"
],
"chemical_system": "Ca-Cu-Ga-O-Sr-Y",
"density": 4.39656469484303,
"density_atomic": 0.06274762079931559,
"volume": 414.3583401059183,
"volume_molar": 9.59740095845305,
"formula_full": "Sr4 Ca1 Y1 Ga2 Cu4 O14",
"formula_reduced": "Sr4CaYGa2(Cu2O7)2",
"formula_anonymous": "ABC2D4E4F14",
"energy": -159.96946470999998,
"energy_per_atom": -6.152671719615384,
"energy_above_hull": null,
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"energy_uncorrected": -153.45946471,
"band_gap": 0.3258000000000001,
"is_gap_direct": false,
"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:23.492000Z",
"spacegroup": 1
},
{
"id": "mp-1218546",
"created_at": "2022-09-04T14:46:05.008083Z",
"structure_string": "Sr4 Ca1 Y1 Ga2 Cu4 O14\n1.0\n2.697705 11.937491 0.000000\n-2.697705 11.937491 0.000000\n0.000000 1.262311 5.355065\nSr Ca Y Ga Cu O\n4 1 1 2 4 14\ndirect\n0.148256 0.152386 0.864076 Sr\n0.847614 0.851744 0.135924 Sr\n0.346322 0.351014 0.665682 Sr\n0.648986 0.653678 0.334318 Sr\n0.000021 0.999979 0.000000 Ca\n0.499964 0.500036 0.500000 Y\n0.704358 0.795594 0.681601 Ga\n0.204406 0.295642 0.318399 Ga\n0.573388 0.573135 0.926386 Cu\n0.426865 0.426612 0.073614 Cu\n0.926736 0.926563 0.572641 Cu\n0.073437 0.073264 0.427359 Cu\n0.852164 0.648747 0.365057 O\n0.351253 0.147836 0.634943 O\n0.316610 0.809108 0.191308 O\n0.190892 0.683390 0.808692 O\n0.682149 0.192036 0.807272 O\n0.807964 0.317851 0.192728 O\n0.192162 0.160281 0.279667 O\n0.839719 0.807838 0.720333 O\n0.340352 0.307176 0.133325 O\n0.692824 0.659648 0.866675 O\n0.811683 0.322142 0.677368 O\n0.677858 0.188317 0.322632 O\n0.188105 0.678091 0.322268 O\n0.321909 0.811895 0.677732 O\n",
"nsites": 26,
"nelements": 6,
"elements": [
"Sr",
"Ca",
"Y",
"Ga",
"Cu",
"O"
],
"chemical_system": "Ca-Cu-Ga-O-Sr-Y",
"density": 5.2818649947650655,
"density_atomic": 0.07538259636971638,
"volume": 344.9071967816306,
"volume_molar": 7.988768031369225,
"formula_full": "Sr4 Ca1 Y1 Ga2 Cu4 O14",
"formula_reduced": "Sr4CaYGa2(Cu2O7)2",
"formula_anonymous": "ABC2D4E4F14",
"energy": -169.16741305,
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"energy_uncorrected": -159.54941305,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:22.328000Z",
"spacegroup": 5
},
{
"id": "mp-1218712",
"created_at": "2022-09-04T14:47:25.480864Z",
"structure_string": "Sr12 Ca2 Y4 Ga6 Cu12 O42\n1.0\n2.757631 11.885383 0.000000\n-2.757631 11.885383 0.000000\n0.000000 3.675765 15.751851\nSr Ca Y Ga Cu O\n12 2 4 6 12 42\ndirect\n0.166341 0.636351 0.283865 Sr\n0.166461 0.636415 0.616764 Sr\n0.164934 0.635428 0.950570 Sr\n0.833539 0.363592 0.384789 Sr\n0.833647 0.363676 0.717741 Sr\n0.835041 0.364533 0.050710 Sr\n0.363676 0.833647 0.217741 Sr\n0.364533 0.835041 0.550710 Sr\n0.363592 0.833539 0.884789 Sr\n0.635428 0.164934 0.450570 Sr\n0.636351 0.166341 0.783865 Sr\n0.636415 0.166461 0.116764 Sr\n0.999971 0.500098 0.999933 Ca\n0.500098 0.999971 0.499933 Ca\n0.999899 0.500063 0.665754 Y\n0.999866 0.500047 0.334281 Y\n0.500063 0.999899 0.165754 Y\n0.500047 0.999866 0.834281 Y\n0.180665 0.819327 0.097497 Ga\n0.180901 0.818923 0.764395 Ga\n0.180793 0.819188 0.430999 Ga\n0.819188 0.180793 0.930999 Ga\n0.819327 0.180665 0.597497 Ga\n0.818923 0.180901 0.264395 Ga\n0.072156 0.573545 0.475626 Cu\n0.072484 0.573393 0.809472 Cu\n0.072474 0.573447 0.141724 Cu\n0.927605 0.426717 0.190376 Cu\n0.927562 0.426379 0.524234 Cu\n0.927582 0.426630 0.858031 Cu\n0.426630 0.927582 0.358030 Cu\n0.426717 0.927605 0.690376 Cu\n0.426379 0.927562 0.024234 Cu\n0.573393 0.072484 0.309472 Cu\n0.573447 0.072474 0.641724 Cu\n0.573545 0.072156 0.975625 Cu\n0.308180 0.318561 0.564080 O\n0.316412 0.310155 0.894013 O\n0.310341 0.311757 0.229861 O\n0.690267 0.687983 0.270391 O\n0.692028 0.681283 0.606335 O\n0.683070 0.690445 0.936299 O\n0.681283 0.692028 0.106335 O\n0.690445 0.683070 0.436299 O\n0.687983 0.690267 0.770391 O\n0.310155 0.316412 0.394013 O\n0.311757 0.310341 0.729861 O\n0.318561 0.308180 0.064080 O\n0.631482 0.220736 0.267623 O\n0.631909 0.220356 0.601189 O\n0.630523 0.222451 0.934385 O\n0.368080 0.779617 0.385027 O\n0.368213 0.779290 0.718717 O\n0.369340 0.777744 0.051988 O\n0.779290 0.368213 0.218717 O\n0.777744 0.369340 0.551988 O\n0.779617 0.368080 0.885027 O\n0.222451 0.630523 0.434385 O\n0.220736 0.631482 0.767623 O\n0.220356 0.631909 0.101189 O\n0.822229 0.812026 0.391961 O\n0.814481 0.814191 0.728598 O\n0.811309 0.823041 0.063089 O\n0.188921 0.176849 0.107924 O\n0.177004 0.188782 0.436842 O\n0.186216 0.185340 0.771264 O\n0.185340 0.186216 0.271264 O\n0.176849 0.188921 0.607924 O\n0.188782 0.177004 0.936842 O\n0.823041 0.811309 0.563089 O\n0.812026 0.822229 0.891961 O\n0.814191 0.814481 0.228598 O\n0.865704 0.133144 0.381795 O\n0.867047 0.132904 0.714767 O\n0.866653 0.134267 0.048092 O\n0.132904 0.867047 0.214767 O\n0.134267 0.866653 0.548092 O\n0.133144 0.865704 0.881795 O\n",
"nsites": 78,
"nelements": 6,
"elements": [
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],
"chemical_system": "Ca-Cu-Ga-O-Sr-Y",
"density": 5.3715000984998325,
"density_atomic": 0.07554116499046616,
"volume": 1032.549604044949,
"volume_molar": 7.971998791334551,
"formula_full": "Sr12 Ca2 Y4 Ga6 Cu12 O42",
"formula_reduced": "Sr6CaY2Ga3(Cu2O7)3",
"formula_anonymous": "AB2C3D6E6F21",
"energy": -514.74793621,
"energy_per_atom": -6.599332515512821,
"energy_above_hull": null,
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"energy_uncorrected": -485.89393621,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:38:11.929000Z",
"spacegroup": 9
},
{
"id": "mp-1218697",
"created_at": "2022-09-04T14:46:31.428330Z",
"structure_string": "Sr12 Ca2 Y4 Ga6 Cu12 O42\n1.0\n-2.760703 8.084469 11.621947\n2.760703 -8.084469 11.621947\n2.760703 8.084469 -11.621947\nSr Ca Y Ga Cu O\n12 2 4 6 12 42\ndirect\n0.817105 0.136409 0.650945 Sr\n0.484191 0.136428 0.318047 Sr\n0.149673 0.135619 0.984862 Sr\n0.849243 0.864381 0.014055 Sr\n0.514536 0.863591 0.680697 Sr\n0.181620 0.863572 0.347763 Sr\n0.014536 0.333839 0.650945 Sr\n0.681620 0.333856 0.318047 Sr\n0.349243 0.335188 0.984862 Sr\n0.649673 0.664812 0.014055 Sr\n0.317105 0.666161 0.680697 Sr\n0.984191 0.666144 0.347763 Sr\n0.000020 0.000000 0.000020 Ca\n0.500020 0.500000 0.000020 Ca\n0.664967 0.000000 0.664967 Y\n0.335047 0.000000 0.335047 Y\n0.164967 0.500000 0.664967 Y\n0.835047 0.500000 0.335047 Y\n0.068720 0.318194 0.886914 Ga\n0.735453 0.318440 0.553894 Ga\n0.401880 0.318022 0.219902 Ga\n0.235453 0.681560 0.417013 Ga\n0.901880 0.681978 0.083857 Ga\n0.568720 0.681806 0.750526 Ga\n0.573938 0.074173 0.500385 Cu\n0.239946 0.074084 0.166375 Cu\n0.907825 0.074129 0.834299 Cu\n0.092291 0.925916 0.165862 Cu\n0.760170 0.925871 0.833696 Cu\n0.426212 0.925827 0.499766 Cu\n0.926212 0.426446 0.500385 Cu\n0.592291 0.426429 0.166375 Cu\n0.260170 0.426474 0.834299 Cu\n0.739946 0.573571 0.165862 Cu\n0.407825 0.573526 0.833696 Cu\n0.073938 0.573554 0.499766 Cu\n0.652083 0.310532 0.828851 O\n0.315045 0.315301 0.500236 O\n0.981682 0.323812 0.171705 O\n0.184935 0.684699 0.999744 O\n0.847894 0.676188 0.657870 O\n0.518319 0.689468 0.341552 O\n0.018319 0.676767 0.828851 O\n0.684935 0.685191 0.500236 O\n0.347894 0.690024 0.171705 O\n0.481682 0.309976 0.657870 O\n0.152083 0.323233 0.341552 O\n0.815045 0.314809 0.999744 O\n0.477799 0.819516 0.171590 O\n0.147599 0.807537 0.829505 O\n0.811072 0.811891 0.500553 O\n0.021968 0.192463 0.340062 O\n0.688663 0.188109 0.999181 O\n0.352075 0.180484 0.658284 O\n0.188663 0.189481 0.500553 O\n0.852075 0.193791 0.171590 O\n0.521968 0.181905 0.829505 O\n0.647599 0.818095 0.340062 O\n0.311072 0.810519 0.999181 O\n0.977799 0.806209 0.658284 O\n0.848283 0.720025 0.216089 O\n0.514771 0.720030 0.882607 O\n0.181673 0.720766 0.549925 O\n0.829159 0.279234 0.460907 O\n0.496065 0.279975 0.128259 O\n0.162577 0.279970 0.794742 O\n0.996065 0.867806 0.216089 O\n0.662577 0.867835 0.882607 O\n0.329159 0.868252 0.549925 O\n0.681673 0.131748 0.460907 O\n0.348283 0.132194 0.128259 O\n0.014771 0.132165 0.794742 O\n0.784071 0.633636 0.917708 O\n0.450864 0.632796 0.583659 O\n0.117564 0.632849 0.250413 O\n0.950864 0.367204 0.818068 O\n0.617564 0.367151 0.484715 O\n0.284071 0.366364 0.150435 O\n",
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