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=formula_anonymous&page=11542",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_anonymous&page=11540",
"results": [
{
"id": "mp-1196974",
"created_at": "2022-09-04T14:44:20.565532Z",
"structure_string": "Sr4 Co8 B4 P4 O28\n1.0\n9.085707 0.000000 0.000000\n0.000000 6.529620 0.000000\n0.000000 3.662879 9.478284\nSr Co B P O\n4 8 4 4 28\ndirect\n0.703036 0.164547 0.485973 Sr\n0.203036 0.835453 0.014027 Sr\n0.296964 0.835453 0.514027 Sr\n0.796964 0.164547 0.985973 Sr\n0.821616 0.708298 0.855406 Co\n0.321616 0.291702 0.644594 Co\n0.178384 0.291702 0.144594 Co\n0.678384 0.708298 0.355406 Co\n0.053637 0.430335 0.379303 Co\n0.553637 0.569665 0.120697 Co\n0.946363 0.569665 0.620697 Co\n0.446363 0.430335 0.879303 Co\n0.622675 0.535822 0.670162 B\n0.122675 0.464178 0.829838 B\n0.377325 0.464178 0.329838 B\n0.877325 0.535822 0.170162 B\n0.008990 0.041258 0.691377 P\n0.508990 0.958742 0.808623 P\n0.991010 0.958742 0.308623 P\n0.491010 0.041258 0.191377 P\n0.955008 0.271133 0.590646 O\n0.455008 0.728867 0.909354 O\n0.044992 0.728867 0.409354 O\n0.544992 0.271133 0.090646 O\n0.977038 0.989710 0.850694 O\n0.477038 0.010290 0.649306 O\n0.022962 0.010290 0.149306 O\n0.522962 0.989710 0.350694 O\n0.912575 0.876297 0.647525 O\n0.412575 0.123703 0.852475 O\n0.087425 0.123703 0.352475 O\n0.587425 0.876297 0.147525 O\n0.664133 0.496464 0.809154 O\n0.164133 0.503536 0.690846 O\n0.335867 0.503536 0.190846 O\n0.835867 0.496464 0.309154 O\n0.972174 0.469171 0.853281 O\n0.472174 0.530829 0.646719 O\n0.027826 0.530829 0.146719 O\n0.527826 0.469171 0.353281 O\n0.176240 0.015751 0.674559 O\n0.676240 0.984249 0.825441 O\n0.823760 0.984249 0.325441 O\n0.323760 0.015751 0.174559 O\n0.773268 0.576935 0.065041 O\n0.273268 0.423065 0.434959 O\n0.226732 0.423065 0.934959 O\n0.726732 0.576935 0.565041 O\n",
"nsites": 48,
"nelements": 5,
"elements": [
"Sr",
"Co",
"B",
"P",
"O"
],
"chemical_system": "B-Co-O-P-Sr",
"density": 4.243752092751546,
"density_atomic": 0.0853620595592978,
"volume": 562.3107062764367,
"volume_molar": 7.054821300107744,
"formula_full": "Sr4 Co8 B4 P4 O28",
"formula_reduced": "SrCo2BPO7",
"formula_anonymous": "ABCD2E7",
"energy": -363.11398275,
"energy_per_atom": -7.564874640625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -330.77398275,
"band_gap": 1.2083,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 2.3e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:40.521000Z",
"spacegroup": 14
},
{
"id": "mp-1178156",
"created_at": "2022-09-04T14:44:20.045234Z",
"structure_string": "K4 As2 P2 C2 O14\n1.0\n6.847014 0.000000 0.000000\n0.000000 6.042719 0.000000\n0.000000 1.393895 9.786347\nK As P C O\n4 2 2 2 14\ndirect\n0.012825 0.255605 0.767071 K\n0.487175 0.255605 0.767071 K\n0.512825 0.744395 0.232929 K\n0.987175 0.744395 0.232929 K\n0.750000 0.824436 0.633026 As\n0.250000 0.175564 0.366974 As\n0.250000 0.751198 0.587741 P\n0.750000 0.248802 0.412259 P\n0.750000 0.708900 0.898682 C\n0.250000 0.291100 0.101318 C\n0.250000 0.275095 0.976889 O\n0.750000 0.907348 0.808508 O\n0.750000 0.533751 0.839785 O\n0.066396 0.842370 0.655667 O\n0.433604 0.842370 0.655667 O\n0.750000 0.135183 0.572198 O\n0.250000 0.501319 0.586998 O\n0.750000 0.498681 0.413002 O\n0.250000 0.864817 0.427802 O\n0.566396 0.157630 0.344333 O\n0.933604 0.157630 0.344333 O\n0.250000 0.466249 0.160215 O\n0.250000 0.092652 0.191492 O\n0.750000 0.724905 0.023111 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"K",
"As",
"P",
"C",
"O"
],
"chemical_system": "As-C-K-O-P",
"density": 2.5270532755985826,
"density_atomic": 0.0592730146336122,
"volume": 404.9060124299839,
"volume_molar": 10.160004172598635,
"formula_full": "K4 As2 P2 C2 O14",
"formula_reduced": "K2AsPCO7",
"formula_anonymous": "ABCD2E7",
"energy": -165.05815123,
"energy_per_atom": -6.877422967916666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -155.44015123,
"band_gap": 4.0808,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0013236,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:25.471000Z",
"spacegroup": 11
},
{
"id": "mp-756647",
"created_at": "2022-09-04T14:44:22.715962Z",
"structure_string": "K4 Y2 P2 C2 O14\n1.0\n7.155557 0.000000 0.000000\n0.000000 5.839280 0.000000\n0.000000 0.297660 10.022082\nK Y P C O\n4 2 2 2 14\ndirect\n0.488379 0.247496 0.780374 K\n0.011621 0.247496 0.780374 K\n0.511621 0.752504 0.219626 K\n0.988379 0.752504 0.219626 K\n0.750000 0.782577 0.630998 Y\n0.250000 0.217423 0.369002 Y\n0.250000 0.710778 0.569207 P\n0.750000 0.289222 0.430793 P\n0.750000 0.728589 0.905068 C\n0.250000 0.271411 0.094932 C\n0.250000 0.301120 0.969997 O\n0.750000 0.932883 0.845282 O\n0.750000 0.554896 0.822303 O\n0.070536 0.772425 0.647053 O\n0.429464 0.772425 0.647053 O\n0.750000 0.154208 0.568492 O\n0.250000 0.447545 0.543364 O\n0.750000 0.552455 0.456636 O\n0.250000 0.845792 0.431508 O\n0.570536 0.227575 0.352947 O\n0.929464 0.227575 0.352947 O\n0.250000 0.445104 0.177697 O\n0.250000 0.067117 0.154718 O\n0.750000 0.698880 0.030003 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"K",
"Y",
"P",
"C",
"O"
],
"chemical_system": "C-K-O-P-Y",
"density": 2.55438179006458,
"density_atomic": 0.05731265712839249,
"volume": 418.75566763960916,
"volume_molar": 10.507523227389598,
"formula_full": "K4 Y2 P2 C2 O14",
"formula_reduced": "K2YPCO7",
"formula_anonymous": "ABCD2E7",
"energy": -182.74875419,
"energy_per_atom": -7.614531424583333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -173.13075419,
"band_gap": 4.2179,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.79e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:27.462000Z",
"spacegroup": 11
},
{
"id": "mp-769504",
"created_at": "2022-09-04T14:44:22.717837Z",
"structure_string": "Na8 Ni4 P4 C4 O28\n1.0\n8.365966 0.000000 0.000000\n-2.086890 8.136556 0.000000\n-0.083641 -0.214317 8.871111\nNa Ni P C O\n8 4 4 4 28\ndirect\n0.132566 0.114902 0.734227 Na\n0.628199 0.616351 0.748871 Na\n0.863001 0.383570 0.734347 Na\n0.365339 0.877395 0.748524 Na\n0.137605 0.625581 0.256424 Na\n0.383863 0.385297 0.249597 Na\n0.851910 0.882670 0.268503 Na\n0.963090 0.229917 0.087653 Na\n0.762310 0.014367 0.649256 Ni\n0.265075 0.511677 0.652838 Ni\n0.239645 0.984546 0.346275 Ni\n0.736364 0.482753 0.346817 Ni\n0.486223 0.234480 0.575333 P\n0.983545 0.734718 0.577788 P\n0.021899 0.270961 0.418684 P\n0.514653 0.763788 0.423773 P\n0.227111 0.477317 0.927115 C\n0.734598 0.981832 0.924627 C\n0.269191 0.017587 0.074323 C\n0.768541 0.521195 0.074171 C\n0.276999 0.034539 0.934220 O\n0.786554 0.534246 0.934458 O\n0.340365 0.590361 0.866144 O\n0.844869 0.097738 0.858234 O\n0.128153 0.379846 0.830962 O\n0.633202 0.884593 0.832003 O\n0.111861 0.674836 0.672052 O\n0.613162 0.175052 0.672052 O\n0.425344 0.359061 0.676833 O\n0.924028 0.862621 0.674903 O\n0.946480 0.199234 0.567380 O\n0.447831 0.692877 0.576994 O\n0.334484 0.085832 0.539015 O\n0.833074 0.584115 0.541898 O\n0.177431 0.415562 0.456650 O\n0.665253 0.911761 0.460819 O\n0.052969 0.807496 0.426098 O\n0.556974 0.309115 0.426591 O\n0.075515 0.141571 0.317025 O\n0.381697 0.817349 0.331768 O\n0.905817 0.343279 0.319965 O\n0.575483 0.637922 0.325045 O\n0.365963 0.112392 0.171658 O\n0.863513 0.617390 0.173681 O\n0.656605 0.406348 0.134549 O\n0.157538 0.902506 0.137119 O\n0.211324 0.460298 0.068046 O\n0.734892 0.973108 0.065020 O\n",
"nsites": 48,
"nelements": 5,
"elements": [
"Na",
"Ni",
"P",
"C",
"O"
],
"chemical_system": "C-Na-Ni-O-P",
"density": 2.856064706606847,
"density_atomic": 0.07948890436183435,
"volume": 603.8578640045595,
"volume_molar": 7.576077200142488,
"formula_full": "Na8 Ni4 P4 C4 O28",
"formula_reduced": "Na2NiPCO7",
"formula_anonymous": "ABCD2E7",
"energy": -330.66194215,
"energy_per_atom": -6.888790461458334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -301.26194215,
"band_gap": 3.0627,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9993054,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:36.256000Z",
"spacegroup": 1
},
{
"id": "mp-768085",
"created_at": "2022-09-04T14:44:22.750789Z",
"structure_string": "Na8 Mn4 P4 C4 O28\n1.0\n8.467001 0.000000 0.000000\n-2.223325 8.263774 0.000000\n-2.915654 -4.001160 8.889758\nNa Mn P C O\n8 4 4 4 28\ndirect\n0.762680 0.755584 0.759705 Na\n0.255718 0.239070 0.742081 Na\n0.985660 0.504520 0.742536 Na\n0.505910 0.012772 0.762284 Na\n0.515368 0.008839 0.248921 Na\n0.752062 0.751353 0.245103 Na\n0.228054 0.247507 0.251580 Na\n0.287680 0.549989 0.085358 Na\n0.811033 0.060139 0.648748 Mn\n0.306264 0.557644 0.645146 Mn\n0.701240 0.441461 0.346855 Mn\n0.192156 0.935673 0.350033 Mn\n0.059442 0.808784 0.579474 P\n0.559816 0.311344 0.576975 P\n0.441714 0.689935 0.421668 P\n0.935793 0.183299 0.418649 P\n0.980084 0.228352 0.928402 C\n0.471087 0.721505 0.928615 C\n0.524122 0.279509 0.072297 C\n0.027155 0.776901 0.072076 C\n0.957422 0.704412 0.931084 O\n0.442666 0.203455 0.932091 O\n0.322328 0.575339 0.850152 O\n0.830926 0.084492 0.854455 O\n0.035340 0.288836 0.838425 O\n0.535210 0.785503 0.847173 O\n0.162205 0.723181 0.668423 O\n0.983681 0.918245 0.677293 O\n0.663848 0.229798 0.669148 O\n0.474425 0.414644 0.669593 O\n0.586670 0.833713 0.575998 O\n0.694363 0.446645 0.544876 O\n0.196166 0.941772 0.546755 O\n0.077278 0.330573 0.572769 O\n0.910162 0.669301 0.427396 O\n0.311285 0.555157 0.456505 O\n0.805693 0.043793 0.453371 O\n0.415275 0.165296 0.423906 O\n0.340755 0.772141 0.328045 O\n0.516430 0.583722 0.320899 O\n0.818422 0.251963 0.325900 O\n0.023243 0.082906 0.328890 O\n0.474009 0.226638 0.167370 O\n0.967665 0.723904 0.160883 O\n0.669635 0.424423 0.140367 O\n0.179581 0.919274 0.146840 O\n0.060601 0.298604 0.067728 O\n0.533684 0.782198 0.070434 O\n",
"nsites": 48,
"nelements": 5,
"elements": [
"Na",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Mn-Na-O-P",
"density": 2.732610527608247,
"density_atomic": 0.07716906819214238,
"volume": 622.0108798059522,
"volume_molar": 7.803827234256012,
"formula_full": "Na8 Mn4 P4 C4 O28",
"formula_reduced": "Na2MnPCO7",
"formula_anonymous": "ABCD2E7",
"energy": -354.90062115,
"energy_per_atom": -7.393762940625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -328.99262115,
"band_gap": 0.2424999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.0053344,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:31.655000Z",
"spacegroup": 1
},
{
"id": "mp-772835",
"created_at": "2022-09-04T14:44:27.127786Z",
"structure_string": "K4 Nd2 P2 C2 O14\n1.0\n7.335795 0.000000 0.000000\n0.000000 5.781471 0.000000\n0.000000 0.553471 10.087629\nK Nd P C O\n4 2 2 2 14\ndirect\n0.012645 0.244282 0.786367 K\n0.487355 0.244282 0.786367 K\n0.512645 0.755718 0.213633 K\n0.987355 0.755718 0.213633 K\n0.750000 0.782494 0.622612 Nd\n0.250000 0.217506 0.377388 Nd\n0.250000 0.708694 0.573346 P\n0.750000 0.291306 0.426654 P\n0.750000 0.731826 0.906471 C\n0.250000 0.268174 0.093529 C\n0.250000 0.303946 0.968927 O\n0.750000 0.939043 0.846293 O\n0.750000 0.557719 0.825607 O\n0.075064 0.789435 0.643863 O\n0.424936 0.789435 0.643863 O\n0.750000 0.183619 0.573123 O\n0.250000 0.438406 0.568604 O\n0.750000 0.561594 0.431396 O\n0.250000 0.816381 0.426877 O\n0.575064 0.210565 0.356137 O\n0.924936 0.210565 0.356137 O\n0.250000 0.442281 0.174393 O\n0.250000 0.060957 0.153707 O\n0.750000 0.696054 0.031073 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"K",
"Nd",
"P",
"C",
"O"
],
"chemical_system": "C-K-Nd-O-P",
"density": 2.9297330780644373,
"density_atomic": 0.05609660809616636,
"volume": 427.8333541817149,
"volume_molar": 10.735302836271757,
"formula_full": "K4 Nd2 P2 C2 O14",
"formula_reduced": "K2NdPCO7",
"formula_anonymous": "ABCD2E7",
"energy": -178.7050028,
"energy_per_atom": -7.4460417833333326,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -169.0870028,
"band_gap": 4.3287,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.9e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:34.985000Z",
"spacegroup": 11
},
{
"id": "mp-774777",
"created_at": "2022-09-04T14:45:12.685353Z",
"structure_string": "Na8 Ni4 P4 C4 O28\n1.0\n-8.670908 5.197588 -0.003259\n-8.968530 -5.182704 0.014706\n0.144067 5.179250 6.726458\nNa Ni P C O\n8 4 4 4 28\ndirect\n0.749415 0.986783 0.485936 Na\n0.993604 0.753245 0.007837 Na\n0.745475 0.519995 0.510333 Na\n0.503058 0.759932 0.988946 Na\n0.765981 0.309736 0.769428 Na\n0.256369 0.481349 0.465133 Na\n0.019404 0.238364 0.989980 Na\n0.256615 0.000087 0.511615 Na\n0.834950 0.817035 0.755222 Ni\n0.659823 0.688276 0.246660 Ni\n0.339456 0.312613 0.759439 Ni\n0.160324 0.190114 0.251288 Ni\n0.474096 0.948120 0.752841 P\n0.977344 0.443345 0.749076 P\n0.022641 0.558269 0.249844 P\n0.526489 0.051381 0.249036 P\n0.945257 0.982786 0.749182 C\n0.555614 0.520952 0.252258 C\n0.450224 0.477348 0.744276 C\n0.053082 0.022232 0.251298 C\n0.994083 0.940191 0.254785 O\n0.702372 0.965890 0.061235 O\n0.983276 0.588436 0.746239 O\n0.849957 0.689280 0.254997 O\n0.643291 0.815412 0.750216 O\n0.519074 0.904417 0.251156 O\n0.486516 0.838658 0.567152 O\n0.799565 0.521242 0.932796 O\n0.982958 0.335406 0.567093 O\n0.198236 0.975458 0.252404 O\n0.703515 0.476341 0.247492 O\n0.474356 0.662296 0.247824 O\n0.973471 0.165243 0.250175 O\n0.508238 0.561905 0.747438 O\n0.502641 0.435266 0.255612 O\n0.021391 0.842740 0.754976 O\n0.533856 0.332937 0.742037 O\n0.304631 0.524219 0.745072 O\n0.803711 0.030917 0.742953 O\n0.008934 0.665699 0.437295 O\n0.186523 0.489408 0.063367 O\n0.518005 0.155470 0.432811 O\n0.480735 0.091463 0.744606 O\n0.353009 0.183467 0.260285 O\n0.143125 0.311877 0.750778 O\n0.021302 0.408452 0.249302 O\n0.301495 0.026771 0.939907 O\n0.003330 0.068110 0.750526 O\n",
"nsites": 48,
"nelements": 5,
"elements": [
"Na",
"Ni",
"P",
"C",
"O"
],
"chemical_system": "C-Na-Ni-O-P",
"density": 2.796812429018138,
"density_atomic": 0.07783981755523137,
"volume": 616.6509828461702,
"volume_molar": 7.736581288524964,
"formula_full": "Na8 Ni4 P4 C4 O28",
"formula_reduced": "Na2NiPCO7",
"formula_anonymous": "ABCD2E7",
"energy": -330.55426654,
"energy_per_atom": -6.886547219583334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -301.15426654,
"band_gap": 0.917,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0006387,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:57.124000Z",
"spacegroup": 1
},
{
"id": "mp-1178146",
"created_at": "2022-09-04T14:45:19.048421Z",
"structure_string": "K4 Tl2 P2 C2 O14\n1.0\n7.253489 0.000000 0.000000\n0.000000 5.604692 0.000000\n0.000000 0.216301 9.939113\nK Tl P C O\n4 2 2 2 14\ndirect\n0.016967 0.240110 0.774341 K\n0.483033 0.240110 0.774341 K\n0.516967 0.759890 0.225659 K\n0.983033 0.759890 0.225659 K\n0.750000 0.769967 0.630358 Tl\n0.250000 0.230033 0.369642 Tl\n0.250000 0.714711 0.574547 P\n0.750000 0.285289 0.425453 P\n0.750000 0.728002 0.906294 C\n0.250000 0.271998 0.093706 C\n0.250000 0.297488 0.967843 O\n0.750000 0.937581 0.844202 O\n0.750000 0.541248 0.825802 O\n0.076423 0.785442 0.655945 O\n0.423577 0.785442 0.655945 O\n0.750000 0.168037 0.569712 O\n0.250000 0.432602 0.558481 O\n0.750000 0.567398 0.441519 O\n0.250000 0.831963 0.430288 O\n0.576423 0.214558 0.344055 O\n0.923577 0.214558 0.344055 O\n0.250000 0.458752 0.174198 O\n0.250000 0.062419 0.155798 O\n0.750000 0.702512 0.032157 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"K",
"Tl",
"P",
"C",
"O"
],
"chemical_system": "C-K-O-P-Tl",
"density": 3.596421052119408,
"density_atomic": 0.05939705401857394,
"volume": 404.0604436794964,
"volume_molar": 10.138786947441583,
"formula_full": "K4 Tl2 P2 C2 O14",
"formula_reduced": "K2TlPCO7",
"formula_anonymous": "ABCD2E7",
"energy": -158.99194461,
"energy_per_atom": -6.62466435875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -149.37394461,
"band_gap": 1.2816,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0037524,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:55.334000Z",
"spacegroup": 11
},
{
"id": "mp-562568",
"created_at": "2022-09-04T14:45:16.070025Z",
"structure_string": "K2 Ho2 Co2 Si4 O14\n1.0\n5.011361 4.148159 0.000000\n-5.011361 4.148159 0.000000\n0.000000 3.345389 7.720929\nK Ho Co Si O\n2 2 2 4 14\ndirect\n0.205945 0.365502 0.216700 K\n0.634498 0.794055 0.783300 K\n0.712382 0.732130 0.280071 Ho\n0.267870 0.287618 0.719929 Ho\n0.717336 0.282664 0.000000 Co\n0.194838 0.805162 0.500000 Co\n0.296209 0.931869 0.116566 Si\n0.648206 0.133076 0.390490 Si\n0.866924 0.351794 0.609510 Si\n0.068131 0.703791 0.883434 Si\n0.471084 0.789711 0.148591 O\n0.152659 0.847341 0.000000 O\n0.812087 0.586136 0.008840 O\n0.096612 0.891838 0.296138 O\n0.413864 0.187913 0.991160 O\n0.792431 0.126963 0.200844 O\n0.514950 0.867224 0.475457 O\n0.502207 0.310294 0.397638 O\n0.132776 0.485050 0.524543 O\n0.689706 0.497793 0.602362 O\n0.823295 0.176705 0.500000 O\n0.873037 0.207569 0.799156 O\n0.108162 0.903388 0.703862 O\n0.210289 0.528916 0.851409 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"K",
"Ho",
"Co",
"Si",
"O"
],
"chemical_system": "Co-Ho-K-O-Si",
"density": 4.460415374513391,
"density_atomic": 0.07476539011729601,
"volume": 321.00414325863204,
"volume_molar": 8.054717230194532,
"formula_full": "K2 Ho2 Co2 Si4 O14",
"formula_reduced": "KHoCoSi2O7",
"formula_anonymous": "ABCD2E7",
"energy": -186.39109296,
"energy_per_atom": -7.766295540000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -173.49709296,
"band_gap": 3.1006,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9998719,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:57.598000Z",
"spacegroup": 5
},
{
"id": "mp-1192298",
"created_at": "2022-09-04T14:44:10.244257Z",
"structure_string": "Mn2 Mo2 H4 Se2 O14\n1.0\n5.075022 0.039202 -0.622399\n-2.425020 6.442664 -0.238216\n0.082703 -0.004145 9.155138\nMn Mo H Se O\n2 2 4 2 14\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.205484 0.907478 0.600856 Mo\n0.794516 0.092522 0.399144 Mo\n0.592242 0.629287 0.865790 H\n0.407758 0.370713 0.134210 H\n0.451348 0.738176 0.982387 H\n0.548652 0.261824 0.017613 H\n0.151822 0.690217 0.245456 Se\n0.848178 0.309783 0.754544 Se\n0.626395 0.740991 0.944213 O\n0.373605 0.259009 0.055787 O\n0.213423 0.782484 0.079406 O\n0.786577 0.217516 0.920594 O\n0.343359 0.532606 0.274533 O\n0.656641 0.467394 0.725467 O\n0.375809 0.912360 0.376931 O\n0.624191 0.087640 0.623069 O\n0.261661 0.667004 0.607126 O\n0.738339 0.332996 0.392874 O\n0.843062 0.811871 0.491332 O\n0.156938 0.188129 0.508668 O\n0.147323 0.967364 0.780259 O\n0.852677 0.032636 0.219741 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Mn",
"Mo",
"H",
"Se",
"O"
],
"chemical_system": "H-Mn-Mo-O-Se",
"density": 3.7997629587090125,
"density_atomic": 0.07985828367280216,
"volume": 300.5323793125024,
"volume_molar": 7.541034546490007,
"formula_full": "Mn2 Mo2 H4 Se2 O14",
"formula_reduced": "MnMoH2SeO7",
"formula_anonymous": "ABCD2E7",
"energy": -169.60420701,
"energy_per_atom": -7.06684195875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -150.24620701,
"band_gap": 1.8798,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0044658,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:35.599000Z",
"spacegroup": 2
},
{
"id": "mp-767462",
"created_at": "2022-09-04T14:44:05.281088Z",
"structure_string": "Na4 Y2 P2 C2 O14\n1.0\n7.003597 0.000000 0.000000\n0.000000 5.225917 0.000000\n0.000000 0.110348 9.285993\nNa Y P C O\n4 2 2 2 14\ndirect\n0.499839 0.231158 0.792252 Na\n0.000161 0.231158 0.792252 Na\n0.500161 0.768842 0.207748 Na\n0.999839 0.768842 0.207748 Na\n0.750000 0.776251 0.629862 Y\n0.250000 0.223749 0.370138 Y\n0.250000 0.705360 0.582463 P\n0.750000 0.294640 0.417537 P\n0.750000 0.731088 0.927675 C\n0.250000 0.268912 0.072325 C\n0.250000 0.299786 0.937684 O\n0.750000 0.957469 0.864111 O\n0.750000 0.535791 0.837545 O\n0.068967 0.817294 0.652682 O\n0.431033 0.817294 0.652682 O\n0.750000 0.224318 0.583489 O\n0.250000 0.406496 0.593308 O\n0.750000 0.593504 0.406692 O\n0.250000 0.775682 0.416511 O\n0.568967 0.182706 0.347318 O\n0.931033 0.182706 0.347318 O\n0.250000 0.464209 0.162455 O\n0.250000 0.042531 0.135889 O\n0.750000 0.700214 0.062316 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Na",
"Y",
"P",
"C",
"O"
],
"chemical_system": "C-Na-O-P-Y",
"density": 2.8324603511548463,
"density_atomic": 0.07061536917415792,
"volume": 339.86935536383106,
"volume_molar": 8.52808790838105,
"formula_full": "Na4 Y2 P2 C2 O14",
"formula_reduced": "Na2YPCO7",
"formula_anonymous": "ABCD2E7",
"energy": -182.96470842,
"energy_per_atom": -7.6235295175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -173.34670842,
"band_gap": 4.9585,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.68e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:32.532000Z",
"spacegroup": 11
},
{
"id": "mp-1216100",
"created_at": "2022-09-04T14:44:10.659820Z",
"structure_string": "Y4 Be2 Al2 B2 O14\n1.0\n7.378847 0.000000 0.000000\n0.000000 4.754901 0.000000\n0.000000 0.033604 7.385994\nY Be Al B O\n4 2 2 2 14\ndirect\n0.662385 0.508432 0.577527 Y\n0.162385 0.491568 0.422473 Y\n0.335165 0.506188 0.904286 Y\n0.835165 0.493812 0.095714 Y\n0.864538 0.945030 0.385784 Be\n0.364538 0.054970 0.614216 Be\n0.498036 0.000348 0.247671 Al\n0.998036 0.999652 0.752329 Al\n0.136189 0.935657 0.113786 B\n0.636189 0.064343 0.886214 B\n0.581498 0.207366 0.064381 O\n0.081498 0.792634 0.935619 O\n0.422898 0.219548 0.421772 O\n0.922898 0.780452 0.578228 O\n0.672925 0.778259 0.320841 O\n0.172925 0.221741 0.679159 O\n0.315808 0.795391 0.162407 O\n0.815808 0.204609 0.837593 O\n0.860049 0.278972 0.386227 O\n0.360049 0.721028 0.613773 O\n0.141525 0.241488 0.104782 O\n0.641525 0.758512 0.895218 O\n0.508984 0.180286 0.755069 O\n0.008984 0.819714 0.244931 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Y",
"Be",
"Al",
"B",
"O"
],
"chemical_system": "Al-B-Be-O-Y",
"density": 4.313899636999666,
"density_atomic": 0.0926130755485803,
"volume": 259.1426735138579,
"volume_molar": 6.5024735700965675,
"formula_full": "Y4 Be2 Al2 B2 O14",
"formula_reduced": "Y2BeAlBO7",
"formula_anonymous": "ABCD2E7",
"energy": -208.58333559,
"energy_per_atom": -8.690972316249999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -198.96533559,
"band_gap": 4.9749,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.5e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:29.198000Z",
"spacegroup": 4
}
]
}