HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=structure_string&page=10211",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=structure_string&page=10209",
"results": [
{
"id": "mp-780671",
"created_at": "2022-09-04T14:40:28.561897Z",
"structure_string": "Sr4 Ta4 N4 O8\n1.0\n4.015686 4.091001 0.000000\n-4.015686 4.091001 0.000000\n0.000000 0.030527 8.192086\nSr Ta N O\n4 4 4 8\ndirect\n0.995640 0.994460 0.750098 Sr\n0.497171 0.491678 0.750082 Sr\n0.508322 0.502829 0.249918 Sr\n0.005540 0.004360 0.249902 Sr\n0.009260 0.508249 0.507945 Ta\n0.993814 0.489675 0.990757 Ta\n0.510325 0.006186 0.009243 Ta\n0.491751 0.990740 0.492055 Ta\n0.771887 0.228113 0.000000 N\n0.521159 0.976259 0.250081 N\n0.023741 0.478841 0.749919 N\n0.227497 0.772503 0.500000 N\n0.775742 0.224258 0.500000 O\n0.476292 0.028313 0.749609 O\n0.971687 0.523708 0.250391 O\n0.723155 0.726204 0.975825 O\n0.275290 0.274947 0.475963 O\n0.725053 0.724710 0.524037 O\n0.273796 0.276845 0.024175 O\n0.222880 0.777120 0.000000 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Ta",
"N",
"O"
],
"chemical_system": "N-O-Sr-Ta",
"density": 7.762779080637954,
"density_atomic": 0.07430467944957779,
"volume": 269.16205208275943,
"volume_molar": 8.104658824464144,
"formula_full": "Sr4 Ta4 N4 O8",
"formula_reduced": "SrTaNO2",
"formula_anonymous": "ABCD2",
"energy": -182.04964423,
"energy_per_atom": -9.1024822115,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -175.10964422999996,
"band_gap": 0.6686000000000005,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 5.8e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:59.778000Z",
"spacegroup": 5
},
{
"id": "mp-754625",
"created_at": "2022-09-04T14:44:53.111834Z",
"structure_string": "Sr4 Ta4 N4 O8\n1.0\n4.048093 5.774498 0.000000\n-4.048093 5.774498 0.000000\n0.000000 0.004665 5.807191\nSr Ta N O\n4 4 4 8\ndirect\n0.747437 0.252563 0.000000 Sr\n0.252563 0.747437 0.000000 Sr\n0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Sr\n0.751571 0.751571 0.026850 Ta\n0.248429 0.248429 0.973150 Ta\n0.000000 0.000000 0.500000 Ta\n0.500000 0.500000 0.500000 Ta\n0.632739 0.632739 0.265457 N\n0.887093 0.887093 0.226802 N\n0.112907 0.112907 0.773198 N\n0.367261 0.367261 0.734543 N\n0.136820 0.136820 0.280940 O\n0.384320 0.384320 0.238155 O\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.615680 0.615680 0.761845 O\n0.863180 0.863180 0.719060 O\n0.249838 0.750162 0.500000 O\n0.750162 0.249838 0.500000 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Ta",
"N",
"O"
],
"chemical_system": "N-O-Sr-Ta",
"density": 7.696091721356412,
"density_atomic": 0.07366635356096489,
"volume": 271.49436660317895,
"volume_molar": 8.174886456156935,
"formula_full": "Sr4 Ta4 N4 O8",
"formula_reduced": "SrTaNO2",
"formula_anonymous": "ABCD2",
"energy": -181.75527647,
"energy_per_atom": -9.087763823500001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -174.81527647,
"band_gap": 1.1614000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003562,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:45.323000Z",
"spacegroup": 12
},
{
"id": "mp-849636",
"created_at": "2022-09-04T14:41:57.616888Z",
"structure_string": "Sr4 Ta4 N4 O8\n1.0\n4.095767 4.014918 0.000000\n-4.095767 4.014918 0.000000\n0.000000 0.010062 8.175969\nSr Ta N O\n4 4 4 8\ndirect\n0.001516 0.998484 0.500000 Sr\n0.509564 0.490436 0.500000 Sr\n0.499663 0.500337 0.000000 Sr\n0.993828 0.006172 0.000000 Sr\n0.489362 0.006000 0.243132 Ta\n0.507566 0.990147 0.755224 Ta\n0.994000 0.510638 0.756868 Ta\n0.009853 0.492434 0.244776 Ta\n0.770320 0.770966 0.745870 N\n0.476845 0.974845 0.000187 N\n0.025155 0.523155 0.999813 N\n0.229034 0.229680 0.254130 N\n0.776738 0.777330 0.258991 O\n0.969740 0.474607 0.499624 O\n0.272772 0.724551 0.717334 O\n0.726623 0.276093 0.231518 O\n0.275449 0.727228 0.282666 O\n0.723907 0.273377 0.768482 O\n0.525393 0.030260 0.500376 O\n0.222670 0.223262 0.741009 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Ta",
"N",
"O"
],
"chemical_system": "N-O-Sr-Ta",
"density": 7.770516795279141,
"density_atomic": 0.07437874421428554,
"volume": 268.8940262607809,
"volume_molar": 8.096588378327795,
"formula_full": "Sr4 Ta4 N4 O8",
"formula_reduced": "SrTaNO2",
"formula_anonymous": "ABCD2",
"energy": -182.04559562,
"energy_per_atom": -9.102279781,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -175.10559562,
"band_gap": 0.6684999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.1e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:40.717000Z",
"spacegroup": 5
},
{
"id": "mp-756088",
"created_at": "2022-09-04T14:46:18.806602Z",
"structure_string": "Sr4 Ta4 N4 O8\n1.0\n5.721680 0.000000 0.000000\n0.000000 5.730921 0.000000\n0.000000 5.723120 8.175038\nSr Ta N O\n4 4 4 8\ndirect\n0.237805 0.769596 0.237396 Sr\n0.735323 0.271025 0.237577 Sr\n0.762195 0.769596 0.737396 Sr\n0.264677 0.271025 0.737577 Sr\n0.745600 0.003009 0.997964 Ta\n0.742545 0.534875 0.481344 Ta\n0.257455 0.534875 0.981344 Ta\n0.254400 0.003009 0.497964 Ta\n0.476838 0.771207 0.000978 N\n0.241552 0.800967 0.733517 N\n0.523162 0.771207 0.500978 N\n0.758448 0.800967 0.233517 N\n0.752283 0.223056 0.730497 O\n0.471453 0.312466 0.461400 O\n0.972960 0.714532 0.004030 O\n0.970439 0.253267 0.461297 O\n0.247717 0.223056 0.230497 O\n0.528547 0.312466 0.961400 O\n0.029561 0.253267 0.961297 O\n0.027040 0.714532 0.504030 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Ta",
"N",
"O"
],
"chemical_system": "N-O-Sr-Ta",
"density": 7.794590261839023,
"density_atomic": 0.0746091734455429,
"volume": 268.0635513888646,
"volume_molar": 8.071582195446181,
"formula_full": "Sr4 Ta4 N4 O8",
"formula_reduced": "SrTaNO2",
"formula_anonymous": "ABCD2",
"energy": -182.11716277,
"energy_per_atom": -9.1058581385,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -175.17716277,
"band_gap": 1.3361999999999998,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0011554,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:28.483000Z",
"spacegroup": 7
},
{
"id": "mp-780737",
"created_at": "2022-09-04T14:40:18.257045Z",
"structure_string": "Sr4 Ta4 N4 O8\n1.0\n5.731121 0.000000 0.000000\n-0.009394 5.742878 0.000000\n-0.002424 -0.007708 8.189806\nSr Ta N O\n4 4 4 8\ndirect\n0.003920 0.003285 0.248777 Sr\n0.513816 0.508278 0.248547 Sr\n0.488991 0.505626 0.724974 Sr\n0.978831 0.002965 0.725605 Sr\n0.497156 0.003853 0.998109 Ta\n0.494789 0.017460 0.485277 Ta\n0.999533 0.505154 0.973694 Ta\n0.997016 0.488368 0.491841 Ta\n0.002816 0.539198 0.737726 N\n0.732267 0.268768 0.501851 N\n0.231614 0.229348 0.503230 N\n0.496484 0.031318 0.230346 N\n0.510483 0.948699 0.735998 O\n0.779005 0.772424 0.462011 O\n0.779559 0.776987 0.004405 O\n0.279819 0.717554 0.003737 O\n0.278686 0.723316 0.463336 O\n0.993715 0.462598 0.229169 O\n0.720948 0.276200 0.961870 O\n0.220551 0.218602 0.961499 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Ta",
"N",
"O"
],
"chemical_system": "N-O-Sr-Ta",
"density": 7.7515450453984815,
"density_atomic": 0.07419714819321674,
"volume": 269.55213895712023,
"volume_molar": 8.11640461479429,
"formula_full": "Sr4 Ta4 N4 O8",
"formula_reduced": "SrTaNO2",
"formula_anonymous": "ABCD2",
"energy": -181.90825288,
"energy_per_atom": -9.095412644,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -174.96825288,
"band_gap": 0.7003000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.47e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:51.336000Z",
"spacegroup": 1
},
{
"id": "mp-755488",
"created_at": "2022-09-04T14:44:50.489596Z",
"structure_string": "Sr4 Ta4 N4 O8\n1.0\n8.067418 0.000000 0.000000\n0.000000 5.774524 0.000000\n0.000000 0.038846 5.795113\nSr Ta N O\n4 4 4 8\ndirect\n0.753005 0.995670 0.995143 Sr\n0.751123 0.494554 0.494283 Sr\n0.251123 0.505446 0.505717 Sr\n0.253005 0.004330 0.004857 Sr\n0.501505 0.995833 0.516421 Ta\n0.001505 0.004167 0.483579 Ta\n0.002029 0.504635 0.016433 Ta\n0.502029 0.495365 0.983567 Ta\n0.999982 0.763607 0.233773 N\n0.525437 0.736573 0.733711 N\n0.025437 0.263427 0.266289 N\n0.499982 0.236393 0.766227 N\n0.498389 0.777267 0.228556 O\n0.749098 0.474367 0.030736 O\n0.249274 0.970543 0.526759 O\n0.970157 0.723304 0.729491 O\n0.470157 0.276696 0.270509 O\n0.249098 0.525633 0.969264 O\n0.749274 0.029457 0.473241 O\n0.998389 0.222733 0.771444 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Ta",
"N",
"O"
],
"chemical_system": "N-O-Sr-Ta",
"density": 7.7395979031562945,
"density_atomic": 0.07408279113559307,
"volume": 269.9682300494615,
"volume_molar": 8.128933410429594,
"formula_full": "Sr4 Ta4 N4 O8",
"formula_reduced": "SrTaNO2",
"formula_anonymous": "ABCD2",
"energy": -182.04853072,
"energy_per_atom": -9.102426536,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -175.10853072,
"band_gap": 0.891,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 3.7e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:42.143000Z",
"spacegroup": 4
},
{
"id": "mp-755441",
"created_at": "2022-09-04T14:39:58.929390Z",
"structure_string": "Sr4 Ta4 N4 O8\n1.0\n8.179197 0.000000 0.000000\n0.000000 5.730442 0.000000\n0.000000 0.083094 5.739938\nSr Ta N O\n4 4 4 8\ndirect\n0.000000 0.992904 0.994202 Sr\n0.000000 0.492740 0.488957 Sr\n0.500000 0.512280 0.491109 Sr\n0.500000 0.015510 0.995353 Sr\n0.242140 0.494145 0.986676 Ta\n0.757860 0.494145 0.986676 Ta\n0.258882 0.007466 0.502242 Ta\n0.741118 0.007466 0.502242 Ta\n0.500000 0.001854 0.460974 N\n0.263585 0.270578 0.730261 N\n0.736415 0.270578 0.730261 N\n0.000000 0.517062 0.969450 N\n0.500000 0.491573 0.050181 O\n0.774079 0.224147 0.227728 O\n0.225921 0.224147 0.227728 O\n0.234620 0.722033 0.281629 O\n0.765380 0.722033 0.281629 O\n0.000000 0.986492 0.535351 O\n0.274808 0.775249 0.778892 O\n0.725192 0.775249 0.778892 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Ta",
"N",
"O"
],
"chemical_system": "N-O-Sr-Ta",
"density": 7.766494989541863,
"density_atomic": 0.07434024782233459,
"volume": 269.0332704808559,
"volume_molar": 8.100781119794336,
"formula_full": "Sr4 Ta4 N4 O8",
"formula_reduced": "SrTaNO2",
"formula_anonymous": "ABCD2",
"energy": -182.06015444,
"energy_per_atom": -9.103007722,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -175.12015444,
"band_gap": 0.9817999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.1e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:45.058000Z",
"spacegroup": 6
},
{
"id": "mp-12286",
"created_at": "2022-09-04T14:41:21.660936Z",
"structure_string": "Sr4 Ta4 O14\n1.0\n1.994927 -13.829761 0.000000\n1.994927 13.829761 0.000000\n0.000000 0.000000 5.755700\nSr Ta O\n4 4 14\ndirect\n0.285357 0.714643 0.750000 Sr\n0.714643 0.285357 0.250000 Sr\n0.446579 0.553421 0.250000 Sr\n0.553421 0.446579 0.750000 Sr\n0.840913 0.159087 0.250000 Ta\n0.159087 0.840913 0.750000 Ta\n0.945321 0.054679 0.750000 Ta\n0.054679 0.945321 0.250000 Ta\n0.000000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.547002 0.452998 0.250000 O\n0.452998 0.547002 0.750000 O\n0.901026 0.098974 0.007646 O\n0.098974 0.901026 0.992354 O\n0.098974 0.901026 0.507646 O\n0.901026 0.098974 0.492354 O\n0.794174 0.205826 0.488126 O\n0.205826 0.794174 0.511874 O\n0.205826 0.794174 0.988126 O\n0.794174 0.205826 0.011874 O\n0.350939 0.649061 0.250000 O\n0.649061 0.350939 0.750000 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Sr",
"Ta",
"O"
],
"chemical_system": "O-Sr-Ta",
"density": 6.788002434403227,
"density_atomic": 0.069271222567977,
"volume": 317.5922004034364,
"volume_molar": 8.69356788685283,
"formula_full": "Sr4 Ta4 O14",
"formula_reduced": "Sr2Ta2O7",
"formula_anonymous": "A2B2C7",
"energy": -200.49662149,
"energy_per_atom": -9.113482795,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -190.87862149,
"band_gap": 2.9098000000000006,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.00415,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:19.582000Z",
"spacegroup": 63
},
{
"id": "mp-13664",
"created_at": "2022-09-04T14:42:46.148615Z",
"structure_string": "Sr4 Ta4 O14\n1.0\n1.995257 -13.823121 0.000000\n1.995257 13.823121 0.000000\n0.000000 0.000000 5.754460\nSr Ta O\n4 4 14\ndirect\n0.446621 0.553379 0.237487 Sr\n0.553379 0.446621 0.737487 Sr\n0.285498 0.714502 0.750237 Sr\n0.714502 0.285498 0.250237 Sr\n0.945272 0.054728 0.739603 Ta\n0.054728 0.945272 0.239603 Ta\n0.840914 0.159086 0.243745 Ta\n0.159086 0.840914 0.743745 Ta\n0.207195 0.792805 0.511074 O\n0.792805 0.207195 0.011074 O\n0.100882 0.899118 0.487194 O\n0.899118 0.100882 0.987194 O\n0.649058 0.350942 0.739202 O\n0.350942 0.649058 0.239202 O\n0.547025 0.452975 0.236578 O\n0.452975 0.547025 0.736578 O\n0.001902 0.998098 0.495573 O\n0.998098 0.001902 0.995573 O\n0.902874 0.097126 0.472160 O\n0.097126 0.902874 0.972160 O\n0.795588 0.204412 0.487348 O\n0.204412 0.795588 0.987348 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Sr",
"Ta",
"O"
],
"chemical_system": "O-Sr-Ta",
"density": 6.79160303409436,
"density_atomic": 0.06930796650627005,
"volume": 317.4238274327344,
"volume_molar": 8.68895895171762,
"formula_full": "Sr4 Ta4 O14",
"formula_reduced": "Sr2Ta2O7",
"formula_anonymous": "A2B2C7",
"energy": -200.49600372,
"energy_per_atom": -9.113454714545455,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -190.87800372,
"band_gap": 2.9546,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0041997,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:56.606000Z",
"spacegroup": 36
},
{
"id": "mp-17715",
"created_at": "2022-09-04T14:42:48.900605Z",
"structure_string": "Sr4 Ta8 O24\n1.0\n5.676420 0.000000 0.000000\n0.000000 7.711480 0.000000\n0.000000 0.000000 11.173688\nSr Ta O\n4 8 24\ndirect\n0.961746 0.750000 0.460027 Sr\n0.461746 0.250000 0.039973 Sr\n0.038254 0.250000 0.539973 Sr\n0.538254 0.750000 0.960027 Sr\n0.465304 0.495706 0.357852 Ta\n0.965304 0.504294 0.142148 Ta\n0.534696 0.995706 0.642148 Ta\n0.034696 0.004294 0.857852 Ta\n0.534696 0.504294 0.642148 Ta\n0.034696 0.495706 0.857852 Ta\n0.465304 0.004294 0.357852 Ta\n0.965304 0.995706 0.142148 Ta\n0.136559 0.250000 0.870352 O\n0.636559 0.750000 0.629648 O\n0.863441 0.750000 0.129648 O\n0.363441 0.250000 0.370352 O\n0.970439 0.750000 0.854535 O\n0.470439 0.250000 0.645465 O\n0.029561 0.250000 0.145465 O\n0.529561 0.750000 0.354535 O\n0.281085 0.966694 0.523781 O\n0.781085 0.033306 0.976219 O\n0.718915 0.466694 0.476219 O\n0.218915 0.533306 0.023781 O\n0.643183 0.451950 0.214641 O\n0.143183 0.548050 0.285359 O\n0.356817 0.951950 0.785359 O\n0.856817 0.048050 0.714641 O\n0.356817 0.548050 0.785359 O\n0.856817 0.451950 0.714641 O\n0.643183 0.048050 0.214641 O\n0.143183 0.951950 0.285359 O\n0.781085 0.466694 0.976219 O\n0.281085 0.533306 0.523781 O\n0.218915 0.966694 0.023781 O\n0.718915 0.033306 0.476219 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Sr",
"Ta",
"O"
],
"chemical_system": "O-Sr-Ta",
"density": 7.408064006714166,
"density_atomic": 0.07360269256077709,
"volume": 489.11254123309635,
"volume_molar": 8.181957141075028,
"formula_full": "Sr4 Ta8 O24",
"formula_reduced": "SrTa2O6",
"formula_anonymous": "AB2C6",
"energy": -346.00933532,
"energy_per_atom": -9.611370425555556,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -329.52133532,
"band_gap": 3.2307,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0026047,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:49.402000Z",
"spacegroup": 62
},
{
"id": "mp-541327",
"created_at": "2022-09-04T14:43:57.658834Z",
"structure_string": "Sr4 Tb2 Ga2 Cu4 O14\n1.0\n-2.708132 2.768125 11.599837\n2.708132 -2.768125 11.599837\n2.708132 2.768125 -11.599837\nSr Tb Ga Cu O\n4 2 2 4 14\ndirect\n0.633242 0.653036 0.983248 Sr\n0.366758 0.350006 0.019793 Sr\n0.169788 0.153036 0.019793 Sr\n0.830212 0.850006 0.983248 Sr\n0.500000 0.499506 0.999506 Tb\n0.000000 0.999506 0.999506 Tb\n0.819143 0.288019 0.607162 Ga\n0.180857 0.788019 0.468876 Ga\n0.572626 0.070742 0.500205 Cu\n0.427374 0.927579 0.498116 Cu\n0.070537 0.570742 0.498116 Cu\n0.929463 0.427579 0.500205 Cu\n0.133491 0.140333 0.773824 O\n0.866509 0.640333 0.006842 O\n0.814086 0.813080 0.499120 O\n0.185914 0.685034 0.998994 O\n0.813960 0.313080 0.998994 O\n0.186040 0.185034 0.499120 O\n0.313283 0.312147 0.501739 O\n0.686717 0.188456 0.998864 O\n0.310408 0.812147 0.998864 O\n0.689592 0.688456 0.501739 O\n0.223754 0.647771 0.517634 O\n0.776246 0.293880 0.424017 O\n0.630137 0.147771 0.424017 O\n0.369863 0.793880 0.517634 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Sr",
"Tb",
"Ga",
"Cu",
"O"
],
"chemical_system": "Cu-Ga-O-Sr-Tb",
"density": 6.139126078227171,
"density_atomic": 0.07474909577753573,
"volume": 347.8302945279741,
"volume_molar": 8.056473054768144,
"formula_full": "Sr4 Tb2 Ga2 Cu4 O14",
"formula_reduced": "Sr2TbGaCu2O7",
"formula_anonymous": "ABC2D2E7",
"energy": -172.66420834,
"energy_per_atom": -6.64093109,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -163.04620834,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0019399,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:36.461000Z",
"spacegroup": 46
},
{
"id": "mp-6362",
"created_at": "2022-09-04T14:40:28.559214Z",
"structure_string": "Sr4 Tb2 Ir2 O12\n1.0\n5.890886 0.000000 0.000000\n0.000000 5.833096 0.000000\n0.000000 5.769918 8.280822\nSr Tb Ir O\n4 2 2 12\ndirect\n0.463559 0.759419 0.249163 Sr\n0.963559 0.240581 0.250837 Sr\n0.036441 0.759419 0.749163 Sr\n0.536441 0.240581 0.750837 Sr\n0.500000 0.500000 0.000000 Tb\n0.000000 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 Ir\n0.500000 0.000000 0.500000 Ir\n0.199727 0.232242 0.038232 O\n0.699727 0.767758 0.461768 O\n0.800273 0.767758 0.961768 O\n0.300273 0.232242 0.538232 O\n0.728554 0.156157 0.040274 O\n0.228554 0.843843 0.459726 O\n0.271446 0.843843 0.959726 O\n0.771446 0.156157 0.540274 O\n0.518546 0.307908 0.265794 O\n0.018546 0.692092 0.234206 O\n0.481454 0.692092 0.734206 O\n0.981454 0.307908 0.765794 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Tb",
"Ir",
"O"
],
"chemical_system": "Ir-O-Sr-Tb",
"density": 7.264080650669636,
"density_atomic": 0.07028729079429911,
"volume": 284.54646315123256,
"volume_molar": 8.567894269284379,
"formula_full": "Sr4 Tb2 Ir2 O12",
"formula_reduced": "Sr2TbIrO6",
"formula_anonymous": "ABC2D6",
"energy": -148.55178245,
"energy_per_atom": -7.4275891225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -140.30778245,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0021052,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:00.077000Z",
"spacegroup": 14
}
]
}