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=-total_magnetization&page=11561",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-total_magnetization&page=11559",
"results": [
{
"id": "mp-30709",
"created_at": "2022-09-04T14:46:58.724452Z",
"structure_string": "La2 Zn17\n1.0\n5.187355 -4.565131 0.000000\n5.187355 4.565131 0.000000\n1.169813 0.000000 6.810331\nLa Zn\n2 17\ndirect\n0.663514 0.663514 0.663514 La\n0.336486 0.336486 0.336486 La\n0.348550 0.348550 0.839732 Zn\n0.839732 0.348550 0.348550 Zn\n0.098378 0.098378 0.098378 Zn\n0.901622 0.901622 0.901622 Zn\n0.000000 0.000000 0.500000 Zn\n0.000000 0.500000 0.000000 Zn\n0.500000 0.000000 0.000000 Zn\n0.290522 0.709478 0.000000 Zn\n0.709478 0.000000 0.290522 Zn\n0.000000 0.290522 0.709478 Zn\n0.709478 0.290522 0.000000 Zn\n0.290522 0.000000 0.709478 Zn\n0.000000 0.709478 0.290522 Zn\n0.160268 0.651450 0.651450 Zn\n0.651450 0.651450 0.160268 Zn\n0.651450 0.160268 0.651450 Zn\n0.348550 0.839732 0.348550 Zn\n",
"nsites": 19,
"nelements": 2,
"elements": [
"La",
"Zn"
],
"chemical_system": "La-Zn",
"density": 7.154721044811085,
"density_atomic": 0.058905543891162766,
"volume": 322.55028550632653,
"volume_molar": 10.223385376301508,
"formula_full": "La2 Zn17",
"formula_reduced": "La2Zn17",
"formula_anonymous": "A2B17",
"energy": -36.47651627,
"energy_per_atom": -1.9198166457894736,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.47651627,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.9e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:49.174000Z",
"spacegroup": 166
},
{
"id": "mp-1644001",
"created_at": "2022-09-04T14:40:09.556041Z",
"structure_string": "Li14 Mn10 O24\n1.0\n5.575105 -0.027323 -2.268540\n0.675220 6.130864 4.507291\n4.683835 -6.132206 6.250359\nLi Mn O\n14 10 24\ndirect\n0.169221 0.665768 0.002740 Li\n0.669698 0.165756 0.502721 Li\n0.677924 0.422449 0.755451 Li\n0.178188 0.922629 0.255511 Li\n0.151302 0.406945 0.744506 Li\n0.651137 0.906815 0.244354 Li\n0.848380 0.586760 0.244281 Li\n0.348464 0.086637 0.744148 Li\n0.503108 0.755507 0.761037 Li\n0.003349 0.255546 0.261102 Li\n0.995621 0.740251 0.749158 Li\n0.495697 0.240265 0.249039 Li\n0.320043 0.583716 0.243163 Li\n0.820107 0.083714 0.743141 Li\n0.168694 0.166607 0.500230 Mn\n0.496833 0.496794 0.497811 Mn\n0.832798 0.837477 0.501478 Mn\n0.490418 0.996687 0.996875 Mn\n0.842693 0.340717 0.002718 Mn\n0.668497 0.666517 0.000093 Mn\n0.996576 0.996885 0.997698 Mn\n0.332610 0.337430 0.001411 Mn\n0.990674 0.496767 0.497046 Mn\n0.342632 0.840616 0.502750 Mn\n0.893009 0.790467 0.105637 O\n0.393351 0.290604 0.605861 O\n0.444826 0.545808 0.893270 O\n0.945318 0.045952 0.393409 O\n0.608540 0.468605 0.118404 O\n0.108685 0.968808 0.618502 O\n0.726743 0.867103 0.883324 O\n0.227066 0.367139 0.383426 O\n0.268414 0.122743 0.115655 O\n0.768689 0.622739 0.615749 O\n0.063976 0.207449 0.884892 O\n0.564168 0.707426 0.384962 O\n0.432939 0.797785 0.112875 O\n0.933267 0.297856 0.612993 O\n0.903613 0.543881 0.884859 O\n0.403913 0.044060 0.384856 O\n0.098352 0.445633 0.121021 O\n0.598509 0.945671 0.621049 O\n0.762588 0.394150 0.392361 O\n0.262237 0.894096 0.892215 O\n0.733877 0.115839 0.103748 O\n0.234237 0.615926 0.603891 O\n0.564366 0.200515 0.884219 O\n0.064651 0.700488 0.384360 O\n",
"nsites": 48,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 3.8732992449096413,
"density_atomic": 0.10864464285423962,
"volume": 441.80733388205806,
"volume_molar": 5.542970736329314,
"formula_full": "Li14 Mn10 O24",
"formula_reduced": "Li7Mn5O12",
"formula_anonymous": "A5B7C12",
"energy": -339.93791278000003,
"energy_per_atom": -7.082039849583334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -306.76991278,
"band_gap": 1.0619999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:47.272000Z",
"spacegroup": 1
},
{
"id": "mp-1412249",
"created_at": "2022-09-04T14:40:07.351379Z",
"structure_string": "La2 Mg1 Ti1 O6\n1.0\n4.810665 -2.816952 0.000000\n4.810665 2.816952 0.000000\n3.161160 0.000000 4.591817\nLa Mg Ti O\n2 1 1 6\ndirect\n0.750394 0.750394 0.750394 La\n0.249606 0.249606 0.249606 La\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Ti\n0.759299 0.317096 0.170066 O\n0.170066 0.759299 0.317096 O\n0.317096 0.170066 0.759299 O\n0.240701 0.682904 0.829934 O\n0.682904 0.829934 0.240701 O\n0.829934 0.240701 0.682904 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"La",
"Mg",
"Ti",
"O"
],
"chemical_system": "La-Mg-O-Ti",
"density": 5.950654135374233,
"density_atomic": 0.0803527733587026,
"volume": 124.45121160111086,
"volume_molar": 7.494627140144345,
"formula_full": "La2 Mg1 Ti1 O6",
"formula_reduced": "La2MgTiO6",
"formula_anonymous": "ABC2D6",
"energy": -85.79841083,
"energy_per_atom": -8.579841083,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -81.67641083,
"band_gap": 3.0942000000000007,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.9e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.080000Z",
"spacegroup": 148
},
{
"id": "mp-23844",
"created_at": "2022-09-04T14:43:04.402932Z",
"structure_string": "Hg4 H4 O4 F4\n1.0\n5.013197 0.000000 0.000000\n0.000000 6.217559 0.000000\n0.000000 0.000000 7.022100\nHg H O F\n4 4 4 4\ndirect\n0.251031 0.500205 0.124224 Hg\n0.751031 0.999795 0.875776 Hg\n0.748969 0.000205 0.375776 Hg\n0.248969 0.499795 0.624224 Hg\n0.642888 0.504224 0.375685 H\n0.142888 0.995776 0.624315 H\n0.357112 0.004224 0.124315 H\n0.857112 0.495776 0.875685 H\n0.467205 0.590749 0.374973 O\n0.032795 0.409251 0.874973 O\n0.532795 0.090749 0.125027 O\n0.967205 0.909251 0.625027 O\n0.402138 0.108330 0.624818 F\n0.597862 0.608330 0.875182 F\n0.902138 0.391670 0.375182 F\n0.097862 0.891670 0.124818 F\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Hg",
"H",
"O",
"F"
],
"chemical_system": "F-H-Hg-O",
"density": 7.179832611246826,
"density_atomic": 0.07310015311063105,
"volume": 218.8777905264483,
"volume_molar": 8.238205398675413,
"formula_full": "Hg4 H4 O4 F4",
"formula_reduced": "HgHOF",
"formula_anonymous": "ABCD",
"energy": -63.584901900000006,
"energy_per_atom": -3.9740563687500003,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -58.9889019,
"band_gap": 1.4590999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.9e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:01.102000Z",
"spacegroup": 19
},
{
"id": "mp-757314",
"created_at": "2022-09-04T14:42:58.734404Z",
"structure_string": "Li4 Cr4 P4 O16\n1.0\n0.000003 0.000002 5.120726\n9.248749 -0.000020 0.000005\n-0.000014 6.445721 0.000003\nLi Cr P O\n4 4 4 16\ndirect\n0.000005 0.000007 0.000001 Li\n0.000006 0.000008 0.499997 Li\n0.499990 0.500005 0.000002 Li\n0.499992 0.500005 0.499997 Li\n0.949700 0.361937 0.249999 Cr\n0.550272 0.861937 0.250004 Cr\n0.449606 0.137989 0.750005 Cr\n0.050436 0.637997 0.749998 Cr\n0.463392 0.188395 0.249999 P\n0.963415 0.311614 0.749997 P\n0.036604 0.688395 0.249999 P\n0.536586 0.811614 0.750000 P\n0.763658 0.159585 0.250004 O\n0.263688 0.340430 0.749999 O\n0.736343 0.659585 0.250002 O\n0.236317 0.840433 0.750002 O\n0.902860 0.146447 0.750000 O\n0.402814 0.353567 0.250004 O\n0.597148 0.646445 0.749996 O\n0.097181 0.853566 0.250000 O\n0.340369 0.114213 0.056841 O\n0.340369 0.114212 0.443157 O\n0.840405 0.385796 0.943169 O\n0.840404 0.385796 0.556829 O\n0.159633 0.614215 0.056840 O\n0.159633 0.614212 0.443157 O\n0.659588 0.885799 0.556831 O\n0.659588 0.885797 0.943170 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Cr",
"P",
"O"
],
"chemical_system": "Cr-Li-O-P",
"density": 3.348771787358231,
"density_atomic": 0.09172167907499512,
"volume": 305.2713413271266,
"volume_molar": 6.565667812378434,
"formula_full": "Li4 Cr4 P4 O16",
"formula_reduced": "LiCrPO4",
"formula_anonymous": "ABCD4",
"energy": -216.86307095,
"energy_per_atom": -7.745109676785715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -197.87507095,
"band_gap": 1.9259,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:58.342000Z",
"spacegroup": 62
},
{
"id": "mp-867817",
"created_at": "2022-09-04T14:42:55.802507Z",
"structure_string": "La1 Tl1 Ag2\n1.0\n0.000000 3.659572 3.659572\n3.659572 0.000000 3.659572\n3.659572 3.659572 0.000000\nLa Tl Ag\n1 1 2\ndirect\n0.500000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Tl\n0.250000 0.250000 0.250000 Ag\n0.750000 0.750000 0.750000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Tl",
"Ag"
],
"chemical_system": "Ag-La-Tl",
"density": 9.470209267827377,
"density_atomic": 0.04080741713810251,
"volume": 98.02139612176383,
"volume_molar": 14.757466123424498,
"formula_full": "La1 Tl1 Ag2",
"formula_reduced": "LaTlAg2",
"formula_anonymous": "ABC2",
"energy": -14.06148999,
"energy_per_atom": -3.5153724975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.06148999,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.9e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:00.433000Z",
"spacegroup": 225
},
{
"id": "mp-755891",
"created_at": "2022-09-04T14:45:07.598480Z",
"structure_string": "Cs1 Li1 H4 S1 O5\n1.0\n2.870174 6.065293 0.000000\n-2.870174 6.065293 0.000000\n0.000000 1.568141 4.549548\nCs Li H S O\n1 1 4 1 5\ndirect\n0.999628 0.999628 0.000125 Cs\n0.323098 0.323098 0.629491 Li\n0.100289 0.370293 0.233323 H\n0.370293 0.100289 0.233323 H\n0.541619 0.541619 0.555674 H\n0.542034 0.542034 0.219384 H\n0.740845 0.740845 0.725957 S\n0.490839 0.490839 0.429452 O\n0.991187 0.561529 0.871450 O\n0.561529 0.991187 0.871450 O\n0.224235 0.224235 0.369261 O\n0.605385 0.605385 0.837412 O\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Cs",
"Li",
"H",
"S",
"O"
],
"chemical_system": "Cs-H-Li-O-S",
"density": 2.683053694925741,
"density_atomic": 0.07575703826975541,
"volume": 158.4011238305072,
"volume_molar": 7.949282202079206,
"formula_full": "Cs1 Li1 H4 S1 O5",
"formula_reduced": "CsLiH4SO5",
"formula_anonymous": "ABCD4E5",
"energy": -65.56328671,
"energy_per_atom": -5.463607225833333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -62.12828671,
"band_gap": 4.3863,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.9e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:49.935000Z",
"spacegroup": 8
},
{
"id": "mp-1225674",
"created_at": "2022-09-04T14:45:10.139204Z",
"structure_string": "Cu1 As1 Se2\n1.0\n4.215299 0.000000 0.000000\n0.000000 4.215299 0.000000\n0.000000 0.000000 5.613431\nCu As Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 As\n0.000000 0.500000 0.216997 Se\n0.500000 0.000000 0.783003 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cu",
"As",
"Se"
],
"chemical_system": "As-Cu-Se",
"density": 4.934282018086797,
"density_atomic": 0.04010281249650714,
"volume": 99.74362771559701,
"volume_molar": 15.016754150409062,
"formula_full": "Cu1 As1 Se2",
"formula_reduced": "CuAsSe2",
"formula_anonymous": "ABC2",
"energy": -16.77044366,
"energy_per_atom": -4.192610915,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.82644366,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.9e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:58.241000Z",
"spacegroup": 115
},
{
"id": "mp-753538",
"created_at": "2022-09-04T14:45:27.404927Z",
"structure_string": "Li28 Mn4 O20 F4\n1.0\n5.498230 0.069398 0.348705\n2.229078 2.362178 9.281290\n0.207721 -9.971091 0.629141\nLi Mn O F\n28 4 20 4\ndirect\n0.502585 0.370907 0.010578 Li\n0.752321 0.871069 0.260548 Li\n0.002560 0.370900 0.510573 Li\n0.252288 0.871071 0.760535 Li\n0.590757 0.055282 0.856974 Li\n0.840712 0.555375 0.107173 Li\n0.090715 0.055256 0.356976 Li\n0.340710 0.555364 0.607232 Li\n0.725724 0.246988 0.773930 Li\n0.975913 0.746988 0.024039 Li\n0.225759 0.247051 0.273900 Li\n0.475873 0.746995 0.524021 Li\n0.100360 0.230077 0.977772 Li\n0.350195 0.730073 0.227536 Li\n0.600397 0.230027 0.477837 Li\n0.850074 0.730057 0.727473 Li\n0.133479 0.468198 0.904779 Li\n0.383328 0.968020 0.154362 Li\n0.633400 0.468208 0.404789 Li\n0.883278 0.968057 0.654358 Li\n0.224861 0.116215 0.723043 Li\n0.474835 0.616191 0.973107 Li\n0.724884 0.116210 0.223037 Li\n0.974828 0.616181 0.473096 Li\n0.325610 0.346800 0.693549 Li\n0.575959 0.846645 0.943222 Li\n0.825597 0.346818 0.193530 Li\n0.075901 0.846629 0.443258 Li\n0.267336 0.485478 0.249608 Mn\n0.517375 0.985298 0.499171 Mn\n0.767270 0.485310 0.749560 Mn\n0.017199 0.985246 0.999186 Mn\n0.273469 0.031445 0.896787 O\n0.522988 0.531527 0.146399 O\n0.773496 0.031444 0.396743 O\n0.022943 0.531287 0.646483 O\n0.560392 0.118309 0.665607 O\n0.811052 0.618133 0.916011 O\n0.060414 0.118304 0.165597 O\n0.311058 0.618220 0.415918 O\n0.014603 0.321387 0.783642 O\n0.265081 0.820983 0.032744 O\n0.514703 0.321655 0.283637 O\n0.765064 0.820918 0.532751 O\n0.158287 0.397909 0.081836 O\n0.407362 0.897947 0.331645 O\n0.658114 0.397726 0.581921 O\n0.907266 0.897982 0.831630 O\n0.487929 0.444260 0.840584 O\n0.738398 0.944172 0.090300 O\n0.988020 0.444304 0.340528 O\n0.238418 0.944215 0.590263 O\n0.752200 0.188376 0.958165 F\n0.001234 0.689275 0.208030 F\n0.252108 0.188390 0.458158 F\n0.501263 0.689226 0.708024 F\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 2.6421649694294667,
"density_atomic": 0.10999425147214158,
"volume": 509.1175152383596,
"volume_molar": 5.474959535976513,
"formula_full": "Li28 Mn4 O20 F4",
"formula_reduced": "Li7MnO5F",
"formula_anonymous": "ABC5D7",
"energy": -318.44267858,
"energy_per_atom": -5.686476403214286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -296.18267858,
"band_gap": 1.2879,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:01.589000Z",
"spacegroup": 1
},
{
"id": "mp-557190",
"created_at": "2022-09-04T14:44:29.985677Z",
"structure_string": "Mn4 P12 O36\n1.0\n6.465372 0.000000 0.000000\n0.000000 9.901669 0.000000\n0.000000 0.000000 10.894001\nMn P O\n4 12 36\ndirect\n0.500000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.867315 0.214327 0.364410 P\n0.632685 0.714327 0.364410 P\n0.367315 0.785673 0.864410 P\n0.250000 0.584943 0.250000 P\n0.867315 0.714327 0.135590 P\n0.750000 0.415057 0.750000 P\n0.132685 0.285673 0.864410 P\n0.367315 0.285673 0.635590 P\n0.250000 0.084943 0.250000 P\n0.132685 0.785673 0.635590 P\n0.750000 0.915057 0.750000 P\n0.632685 0.214327 0.135590 P\n0.250000 0.714933 0.750000 O\n0.390093 0.679979 0.963716 O\n0.732254 0.585151 0.401107 O\n0.232254 0.414849 0.901107 O\n0.349242 0.497599 0.153682 O\n0.109907 0.679979 0.536284 O\n0.594285 0.309392 0.691740 O\n0.094285 0.690608 0.191740 O\n0.849242 0.002401 0.846318 O\n0.650758 0.502401 0.846318 O\n0.250000 0.214933 0.750000 O\n0.767746 0.085151 0.401107 O\n0.750000 0.285067 0.250000 O\n0.650758 0.002401 0.653682 O\n0.150758 0.497599 0.346318 O\n0.849242 0.502401 0.653682 O\n0.405715 0.690608 0.308260 O\n0.267746 0.414849 0.598893 O\n0.594285 0.809392 0.808260 O\n0.405715 0.190608 0.191740 O\n0.609907 0.820021 0.463716 O\n0.905715 0.309392 0.808260 O\n0.905715 0.809392 0.691740 O\n0.767746 0.585151 0.098893 O\n0.349242 0.997599 0.346318 O\n0.109907 0.179979 0.963716 O\n0.890093 0.320021 0.463716 O\n0.732254 0.085151 0.098893 O\n0.094285 0.190608 0.308260 O\n0.150758 0.997599 0.153682 O\n0.232254 0.914849 0.598893 O\n0.390093 0.179979 0.536284 O\n0.609907 0.320021 0.036284 O\n0.267746 0.914849 0.901107 O\n0.890093 0.820021 0.036284 O\n0.750000 0.785067 0.250000 O\n",
"nsites": 52,
"nelements": 3,
"elements": [
"Mn",
"P",
"O"
],
"chemical_system": "Mn-O-P",
"density": 2.779619199652321,
"density_atomic": 0.07456139253055467,
"volume": 697.4118673908995,
"volume_molar": 8.076754679081636,
"formula_full": "Mn4 P12 O36",
"formula_reduced": "Mn(PO3)3",
"formula_anonymous": "AB3C9",
"energy": -404.34024066,
"energy_per_atom": -7.775773858846154,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -372.93624066,
"band_gap": 1.1659,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 2.9e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:43.127000Z",
"spacegroup": 56
},
{
"id": "mp-1026828",
"created_at": "2022-09-04T14:44:55.403511Z",
"structure_string": "Cs1 Li1 Mg14\n1.0\n6.577208 0.077781 0.000000\n-3.221244 5.579358 0.000000\n0.000000 0.000000 10.886202\nCs Li Mg\n1 1 14\ndirect\n0.162119 0.831059 0.125000 Cs\n0.168073 0.334036 0.125000 Li\n0.163181 0.331590 0.625000 Mg\n0.164758 0.832378 0.625000 Mg\n0.665121 0.333765 0.125000 Mg\n0.667006 0.332047 0.625000 Mg\n0.665121 0.831355 0.125000 Mg\n0.667006 0.834958 0.625000 Mg\n0.340648 0.177871 0.394197 Mg\n0.340648 0.177871 0.855803 Mg\n0.340648 0.662778 0.394197 Mg\n0.340648 0.662778 0.855803 Mg\n0.835234 0.167618 0.371941 Mg\n0.835234 0.167618 0.878059 Mg\n0.822277 0.661139 0.392921 Mg\n0.822277 0.661139 0.857079 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Cs",
"Li",
"Mg"
],
"chemical_system": "Cs-Li-Mg",
"density": 1.9821583993184568,
"density_atomic": 0.039779805407454405,
"volume": 402.2141344362065,
"volume_molar": 15.138688332727492,
"formula_full": "Cs1 Li1 Mg14",
"formula_reduced": "CsLiMg14",
"formula_anonymous": "ABC14",
"energy": -22.68718744,
"energy_per_atom": -1.417949215,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.68718744,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.9e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:41.146000Z",
"spacegroup": 38
},
{
"id": "mp-1026719",
"created_at": "2022-09-04T14:44:55.598875Z",
"structure_string": "Rb1 Mg14 Si1\n1.0\n6.598816 0.071490 0.000000\n-3.237496 5.607507 0.000000\n0.000000 0.000000 10.477918\nRb Mg Si\n1 14 1\ndirect\n0.130475 0.815237 0.125000 Rb\n0.163075 0.331537 0.625000 Mg\n0.171710 0.835855 0.625000 Mg\n0.630024 0.316766 0.125000 Mg\n0.666833 0.327180 0.625000 Mg\n0.630024 0.813258 0.125000 Mg\n0.666833 0.839651 0.625000 Mg\n0.339309 0.178509 0.383767 Mg\n0.339309 0.178509 0.866233 Mg\n0.339309 0.660801 0.383767 Mg\n0.339309 0.660801 0.866233 Mg\n0.847706 0.173853 0.353467 Mg\n0.847706 0.173853 0.896533 Mg\n0.822756 0.661378 0.395678 Mg\n0.822756 0.661378 0.854322 Mg\n0.242867 0.371433 0.125000 Si\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Rb",
"Mg",
"Si"
],
"chemical_system": "Mg-Rb-Si",
"density": 1.9315993504007414,
"density_atomic": 0.04101107434213351,
"volume": 390.1385237197284,
"volume_molar": 14.68418191086752,
"formula_full": "Rb1 Mg14 Si1",
"formula_reduced": "RbMg14Si",
"formula_anonymous": "ABC14",
"energy": -26.51002707,
"energy_per_atom": -1.656876691875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.58102707,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.9e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:44.406000Z",
"spacegroup": 38
}
]
}