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=created_at&page=12130",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=created_at&page=12128",
"results": [
{
"id": "mp-1234104",
"created_at": "2022-09-04T14:48:29.022604Z",
"structure_string": "Mg1 Fe6 Sb10 I6 O18\n1.0\n-7.697748 0.107926 -2.794168\n0.327311 0.114785 -9.875690\n-0.151564 -12.196873 -2.737165\nMg Fe Sb I O\n1 6 10 6 18\ndirect\n0.777249 0.521653 0.736594 Mg\n0.718406 0.981358 0.344515 Fe\n0.276607 0.025469 0.652425 Fe\n0.028071 0.961042 0.125433 Fe\n0.973207 0.043080 0.870873 Fe\n0.616701 0.085214 0.060011 Fe\n0.390851 0.928400 0.927077 Fe\n0.879015 0.150289 0.506368 Sb\n0.115820 0.817427 0.503120 Sb\n0.256383 0.141653 0.259004 Sb\n0.773766 0.810796 0.739521 Sb\n0.531667 0.202237 0.756758 Sb\n0.467579 0.803722 0.239044 Sb\n0.202291 0.248159 0.984428 Sb\n0.800069 0.757710 0.017488 Sb\n0.810103 0.287805 0.209133 Sb\n0.204542 0.707717 0.803865 Sb\n0.692599 0.380737 0.942316 I\n0.274328 0.675882 0.068800 I\n0.900698 0.698638 0.309127 I\n0.074820 0.333561 0.658153 I\n0.502724 0.268803 0.412509 I\n0.511893 0.691808 0.574106 I\n0.149709 0.062276 0.978603 O\n0.852778 0.948072 0.015682 O\n0.864500 0.957991 0.474523 O\n0.135351 0.008929 0.534365 O\n0.792266 0.094323 0.192644 O\n0.197869 0.913206 0.800744 O\n0.446303 0.136266 0.913556 O\n0.556864 0.876631 0.090097 O\n0.777753 0.108922 0.775714 O\n0.221830 0.952000 0.225109 O\n0.474748 0.041998 0.712329 O\n0.499784 0.967994 0.297648 O\n0.048136 0.244518 0.139649 O\n0.964783 0.741043 0.865808 O\n0.073928 0.743786 0.660331 O\n0.944633 0.208414 0.350162 O\n0.635806 0.817951 0.891824 O\n0.372631 0.188234 0.109711 O\n",
"nsites": 41,
"nelements": 5,
"elements": [
"Mg",
"Fe",
"Sb",
"I",
"O"
],
"chemical_system": "Fe-I-Mg-O-Sb",
"density": 4.634689096984498,
"density_atomic": 0.04357084480708646,
"volume": 940.9962139024597,
"volume_molar": 13.821491840848003,
"formula_full": "Mg1 Fe6 Sb10 I6 O18",
"formula_reduced": "MgFe6Sb10(IO3)6",
"formula_anonymous": "AB6C6D10E18",
"energy": -250.25896853,
"energy_per_atom": -6.103877281219512,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -222.08296853,
"band_gap": 0.8697999999999997,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 23.9999997,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:20.171000Z",
"spacegroup": 1
},
{
"id": "mp-1222258",
"created_at": "2022-09-04T14:48:29.027205Z",
"structure_string": "Lu2 U2 B16\n1.0\n4.945113 -4.999605 0.000000\n4.945113 4.999605 0.000000\n0.000000 0.000000 3.956634\nLu U B\n2 2 16\ndirect\n0.681358 0.318642 0.000000 Lu\n0.318642 0.681358 0.000000 Lu\n0.187884 0.187884 0.000000 U\n0.812116 0.812116 0.000000 U\n0.822341 0.540631 0.500000 B\n0.177659 0.459369 0.500000 B\n0.321306 0.963225 0.500000 B\n0.678694 0.036775 0.500000 B\n0.036775 0.678694 0.500000 B\n0.963225 0.321306 0.500000 B\n0.459369 0.177659 0.500000 B\n0.540631 0.822341 0.500000 B\n0.000000 0.500000 0.799907 B\n0.500000 0.000000 0.799907 B\n0.000000 0.500000 0.200093 B\n0.500000 0.000000 0.200093 B\n0.914072 0.085928 0.500000 B\n0.085928 0.914072 0.500000 B\n0.411637 0.411637 0.500000 B\n0.588363 0.588363 0.500000 B\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Lu",
"U",
"B"
],
"chemical_system": "B-Lu-U",
"density": 8.47876908860168,
"density_atomic": 0.10222619771824401,
"volume": 195.64456515465858,
"volume_molar": 5.890995551451725,
"formula_full": "Lu2 U2 B16",
"formula_reduced": "LuUB8",
"formula_anonymous": "ABC8",
"energy": -148.75808023,
"energy_per_atom": -7.4379040115,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -148.75808023,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9913079,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:42.943000Z",
"spacegroup": 65
},
{
"id": "mp-1043327",
"created_at": "2022-09-04T14:48:29.027275Z",
"structure_string": "Ca2 W4 O10\n1.0\n2.129435 -5.498504 0.000000\n2.129435 5.498504 0.000000\n0.000000 0.000000 11.767525\nCa W O\n2 4 10\ndirect\n0.100041 0.899959 0.750000 Ca\n0.899959 0.100041 0.250000 Ca\n0.793886 0.206114 0.595387 W\n0.206114 0.793886 0.404613 W\n0.206114 0.793886 0.095387 W\n0.793886 0.206114 0.904613 W\n0.297087 0.702913 0.250000 O\n0.702913 0.297087 0.750000 O\n0.743452 0.256548 0.073424 O\n0.256548 0.743452 0.926576 O\n0.256548 0.743452 0.573424 O\n0.743452 0.256548 0.426576 O\n0.960753 0.039247 0.619342 O\n0.039247 0.960753 0.380658 O\n0.960753 0.039247 0.880658 O\n0.039247 0.960753 0.119342 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ca",
"W",
"O"
],
"chemical_system": "Ca-O-W",
"density": 5.878367920417618,
"density_atomic": 0.0580625257648729,
"volume": 275.5650015087666,
"volume_molar": 10.37182017259628,
"formula_full": "Ca2 W4 O10",
"formula_reduced": "CaW2O5",
"formula_anonymous": "AB2C5",
"energy": -135.81774836,
"energy_per_atom": -8.4886092725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -111.19574836,
"band_gap": 1.0661999999999998,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:44.830000Z",
"spacegroup": 63
},
{
"id": "mp-676767",
"created_at": "2022-09-04T14:48:29.031949Z",
"structure_string": "Ba8 Yb6 F34\n1.0\n9.373218 0.000000 0.000000\n2.777123 8.977755 0.000000\n2.827818 2.141476 8.776577\nBa Yb F\n8 6 34\ndirect\n0.928585 0.129888 0.678003 Ba\n0.728093 0.725773 0.725816 Ba\n0.678434 0.931245 0.128171 Ba\n0.871340 0.322349 0.069563 Ba\n0.126536 0.679073 0.937549 Ba\n0.323051 0.067036 0.870661 Ba\n0.273529 0.271061 0.273580 Ba\n0.065125 0.875906 0.315979 Ba\n0.842244 0.530674 0.391454 Yb\n0.535137 0.391060 0.839845 Yb\n0.610876 0.157635 0.468538 Yb\n0.400200 0.840724 0.529781 Yb\n0.469481 0.609607 0.158183 Yb\n0.160975 0.460760 0.606066 Yb\n0.000199 0.998359 0.001276 F\n0.982391 0.545770 0.822119 F\n0.863788 0.862422 0.861950 F\n0.962804 0.639578 0.509694 F\n0.825605 0.978493 0.543994 F\n0.925833 0.735665 0.205369 F\n0.545812 0.822762 0.978800 F\n0.639480 0.508726 0.958749 F\n0.736202 0.206104 0.925742 F\n0.734873 0.455201 0.649425 F\n0.792369 0.301394 0.411632 F\n0.653719 0.736627 0.454217 F\n0.511278 0.957360 0.639041 F\n0.700199 0.586469 0.207562 F\n0.794149 0.075067 0.263373 F\n0.453686 0.655401 0.745267 F\n0.589849 0.207931 0.699298 F\n0.404469 0.551368 0.540508 F\n0.413188 0.797159 0.297095 F\n0.545015 0.351495 0.266793 F\n0.205993 0.923507 0.733773 F\n0.295350 0.406786 0.801913 F\n0.492339 0.040988 0.360236 F\n0.348890 0.258649 0.545786 F\n0.205925 0.701058 0.591436 F\n0.258834 0.546679 0.345535 F\n0.264641 0.795037 0.073899 F\n0.361343 0.489421 0.042518 F\n0.456160 0.175764 0.019377 F\n0.074725 0.262676 0.793168 F\n0.177501 0.014845 0.457109 F\n0.042747 0.359588 0.489883 F\n0.137470 0.138024 0.136494 F\n0.021571 0.454838 0.176775 F\n",
"nsites": 48,
"nelements": 3,
"elements": [
"Ba",
"Yb",
"F"
],
"chemical_system": "Ba-F-Yb",
"density": 6.256763280306028,
"density_atomic": 0.06499195524258261,
"volume": 738.5529458352175,
"volume_molar": 9.265978746942366,
"formula_full": "Ba8 Yb6 F34",
"formula_reduced": "Ba4Yb3F17",
"formula_anonymous": "A3B4C17",
"energy": -272.00144229,
"energy_per_atom": -5.666696714375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -256.29344229,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0092581,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:55.554000Z",
"spacegroup": 1
},
{
"id": "mp-3466",
"created_at": "2022-09-04T14:48:29.033820Z",
"structure_string": "Pr2 Al2 O6\n1.0\n4.628569 -2.698434 0.000000\n4.628569 2.698434 0.000000\n3.055395 0.000000 4.401108\nPr Al O\n2 2 6\ndirect\n0.750000 0.750000 0.750000 Pr\n0.250000 0.250000 0.250000 Pr\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.750000 0.297726 0.202274 O\n0.202274 0.750000 0.297726 O\n0.297726 0.202274 0.750000 O\n0.250000 0.702274 0.797726 O\n0.702274 0.797726 0.250000 O\n0.797726 0.250000 0.702274 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Pr",
"Al",
"O"
],
"chemical_system": "Al-O-Pr",
"density": 6.5216246870430385,
"density_atomic": 0.09095978722407976,
"volume": 109.93869164804624,
"volume_molar": 6.620662760747709,
"formula_full": "Pr2 Al2 O6",
"formula_reduced": "PrAlO3",
"formula_anonymous": "ABC3",
"energy": -83.32834387,
"energy_per_atom": -8.332834387,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -79.20634387,
"band_gap": 4.1325,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000344,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:23.968000Z",
"spacegroup": 167
},
{
"id": "mp-30960",
"created_at": "2022-09-04T14:48:29.040956Z",
"structure_string": "Dy4 W6 O24\n1.0\n5.738692 3.879877 0.000000\n-5.738692 3.879877 0.000000\n0.000000 3.804739 10.755858\nDy W O\n4 6 24\ndirect\n0.958241 0.711769 0.592800 Dy\n0.288231 0.041759 0.907200 Dy\n0.041759 0.288231 0.407200 Dy\n0.711769 0.958241 0.092800 Dy\n0.868241 0.131759 0.750000 W\n0.131759 0.868241 0.250000 W\n0.753155 0.540147 0.949917 W\n0.459853 0.246845 0.550083 W\n0.246845 0.459853 0.050083 W\n0.540147 0.753155 0.449917 W\n0.393592 0.470708 0.426307 O\n0.529292 0.606408 0.073693 O\n0.606408 0.529292 0.573693 O\n0.470708 0.393592 0.926307 O\n0.769858 0.332957 0.061243 O\n0.667043 0.230142 0.438757 O\n0.230142 0.667043 0.938757 O\n0.332957 0.769858 0.561243 O\n0.541594 0.900047 0.298107 O\n0.099953 0.458406 0.201893 O\n0.922654 0.339456 0.605157 O\n0.660544 0.077346 0.894843 O\n0.077346 0.660544 0.394843 O\n0.339456 0.922654 0.105157 O\n0.791303 0.870760 0.720377 O\n0.129240 0.208697 0.779623 O\n0.208697 0.129240 0.279623 O\n0.458406 0.099953 0.701893 O\n0.181053 0.079766 0.540015 O\n0.920234 0.818947 0.959985 O\n0.818947 0.920234 0.459985 O\n0.079766 0.181053 0.040015 O\n0.900047 0.541594 0.798107 O\n0.870760 0.791303 0.220377 O\n",
"nsites": 34,
"nelements": 3,
"elements": [
"Dy",
"W",
"O"
],
"chemical_system": "Dy-O-W",
"density": 7.408885657370932,
"density_atomic": 0.07098604615878057,
"volume": 478.967372319192,
"volume_molar": 8.48355569280442,
"formula_full": "Dy4 W6 O24",
"formula_reduced": "Dy2(WO4)3",
"formula_anonymous": "A2B3C12",
"energy": -308.26224011,
"energy_per_atom": -9.066536473823529,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -265.14624011,
"band_gap": 3.9072,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003533,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:21.912000Z",
"spacegroup": 15
},
{
"id": "mp-755454",
"created_at": "2022-09-04T14:48:29.042558Z",
"structure_string": "Li3 Nb1 V3 O8\n1.0\n5.306428 -2.967402 0.000000\n5.306428 2.967402 0.000000\n3.647030 0.000000 4.864445\nLi Nb V O\n3 1 3 8\ndirect\n0.500000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Nb\n0.000000 0.500000 0.500000 V\n0.500000 0.500000 0.000000 V\n0.500000 0.000000 0.500000 V\n0.258476 0.258476 0.258476 O\n0.251066 0.759810 0.759810 O\n0.759810 0.759810 0.251066 O\n0.741524 0.741524 0.741524 O\n0.759810 0.251066 0.759810 O\n0.748934 0.240190 0.240190 O\n0.240190 0.240190 0.748934 O\n0.240190 0.748934 0.240190 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Li",
"Nb",
"V",
"O"
],
"chemical_system": "Li-Nb-O-V",
"density": 4.276694011286657,
"density_atomic": 0.09791501731160139,
"volume": 153.19406983572821,
"volume_molar": 6.150375014320169,
"formula_full": "Li3 Nb1 V3 O8",
"formula_reduced": "Li3NbV3O8",
"formula_anonymous": "AB3C3D8",
"energy": -120.02504945,
"energy_per_atom": -8.001669963333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -109.42904945,
"band_gap": 0.0171000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.0000043,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:46.099000Z",
"spacegroup": 166
},
{
"id": "mp-1196792",
"created_at": "2022-09-04T14:48:29.044270Z",
"structure_string": "Fe4 P4 O24\n1.0\n9.599622 0.000000 0.000000\n0.000000 5.463132 0.000000\n0.000000 5.139954 9.544690\nFe P O\n4 4 24\ndirect\n0.194191 0.195955 0.841244 Fe\n0.305809 0.195955 0.341244 Fe\n0.805809 0.804045 0.158756 Fe\n0.694191 0.804045 0.658756 Fe\n0.843076 0.154622 0.809047 P\n0.656924 0.154622 0.309047 P\n0.156924 0.845378 0.190953 P\n0.343076 0.845378 0.690953 P\n0.018501 0.782586 0.625545 O\n0.481499 0.782586 0.125545 O\n0.981499 0.217414 0.374455 O\n0.518501 0.217414 0.874455 O\n0.044654 0.669202 0.553207 O\n0.455346 0.669202 0.053207 O\n0.955346 0.330798 0.446793 O\n0.544654 0.330798 0.946793 O\n0.276997 0.553885 0.747400 O\n0.223003 0.553885 0.247400 O\n0.723003 0.446115 0.252600 O\n0.776997 0.446115 0.752600 O\n0.003493 0.179090 0.803274 O\n0.496507 0.179090 0.303274 O\n0.996507 0.820910 0.196726 O\n0.503493 0.820910 0.696726 O\n0.294634 0.972727 0.783775 O\n0.205366 0.972727 0.283775 O\n0.705366 0.027273 0.216225 O\n0.794634 0.027273 0.716225 O\n0.203722 0.038499 0.038350 O\n0.296278 0.038499 0.538350 O\n0.796278 0.961501 0.961650 O\n0.703722 0.961501 0.461650 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Fe",
"P",
"O"
],
"chemical_system": "Fe-O-P",
"density": 2.425848342312193,
"density_atomic": 0.06392817761960108,
"volume": 500.5617427484504,
"volume_molar": 9.420166480943992,
"formula_full": "Fe4 P4 O24",
"formula_reduced": "FePO6",
"formula_anonymous": "ABC6",
"energy": -221.26289854,
"energy_per_atom": -6.914465579375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -208.37489854,
"band_gap": 0.3412999999999999,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 12.0000001,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:43.049000Z",
"spacegroup": 14
},
{
"id": "mp-1226814",
"created_at": "2022-09-04T14:48:29.044685Z",
"structure_string": "Ce2 Fe1 Si3\n1.0\n2.021004 -3.500482 0.000000\n2.021004 3.500482 0.000000\n0.000000 0.000000 8.121905\nCe Fe Si\n2 1 3\ndirect\n0.666667 0.333333 0.238647 Ce\n0.666667 0.333333 0.761353 Ce\n0.000000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Si\n0.333333 0.666667 0.000000 Si\n0.333333 0.666667 0.500000 Si\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ce",
"Fe",
"Si"
],
"chemical_system": "Ce-Fe-Si",
"density": 6.073795684313872,
"density_atomic": 0.052211759335469066,
"volume": 114.91664093234289,
"volume_molar": 11.534069789349108,
"formula_full": "Ce2 Fe1 Si3",
"formula_reduced": "Ce2FeSi3",
"formula_anonymous": "AB2C3",
"energy": -39.82484932,
"energy_per_atom": -6.637474886666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.03784932,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.1118174,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:43.978000Z",
"spacegroup": 187
},
{
"id": "mp-1147758",
"created_at": "2022-09-04T14:48:29.048938Z",
"structure_string": "Cu1 Cl2\n1.0\n4.520648 0.000000 0.000000\n0.000000 4.520648 0.000000\n0.000000 0.000000 4.317712\nCu Cl\n1 2\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 0.000000 Cl\n0.000000 0.500000 0.000000 Cl\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Cu",
"Cl"
],
"chemical_system": "Cl-Cu",
"density": 2.530237625537596,
"density_atomic": 0.03399900442351467,
"volume": 88.2378778693036,
"volume_molar": 17.71269736308784,
"formula_full": "Cu1 Cl2",
"formula_reduced": "CuCl2",
"formula_anonymous": "AB2",
"energy": -9.95532838,
"energy_per_atom": -3.318442793333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.72732838,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005106,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:41.561000Z",
"spacegroup": 123
},
{
"id": "mp-1236794",
"created_at": "2022-09-04T14:48:29.049022Z",
"structure_string": "Li1 Er4 Be4 Si2 O14\n1.0\n0.000000 0.000000 4.765054\n7.401518 0.000000 0.000000\n0.000000 7.401518 0.000000\nLi Er Be Si O\n1 4 4 2 14\ndirect\n0.500000 0.000000 0.000000 Li\n0.511707 0.166260 0.642792 Er\n0.511707 0.833740 0.357208 Er\n0.488292 0.642792 0.833740 Er\n0.488292 0.357208 0.166260 Er\n0.961581 0.635995 0.135409 Be\n0.961581 0.364005 0.864591 Be\n0.038419 0.135409 0.364005 Be\n0.038419 0.864591 0.635995 Be\n0.000000 0.000000 0.000000 Si\n0.000000 0.500000 0.500000 Si\n0.181361 0.000000 0.500000 O\n0.818639 0.500000 0.000000 O\n0.294651 0.643543 0.139672 O\n0.294651 0.356457 0.860328 O\n0.705349 0.139672 0.356457 O\n0.705349 0.860328 0.643543 O\n0.209727 0.081223 0.158115 O\n0.209727 0.918777 0.841885 O\n0.790273 0.158115 0.918777 O\n0.798504 0.420756 0.663238 O\n0.790273 0.841885 0.081223 O\n0.798504 0.579244 0.336762 O\n0.201496 0.336762 0.420756 O\n0.201496 0.663238 0.579244 O\n",
"nsites": 25,
"nelements": 5,
"elements": [
"Li",
"Er",
"Be",
"Si",
"O"
],
"chemical_system": "Be-Er-Li-O-Si",
"density": 6.3115174204325895,
"density_atomic": 0.09577024153466004,
"volume": 261.0414216294139,
"volume_molar": 6.288112740971356,
"formula_full": "Li1 Er4 Be4 Si2 O14",
"formula_reduced": "LiEr4Be4(SiO7)2",
"formula_anonymous": "AB2C4D4E14",
"energy": -198.73595287,
"energy_per_atom": -7.9494381148,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -189.11795287,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.043667,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:17.769000Z",
"spacegroup": 81
},
{
"id": "mp-1042299",
"created_at": "2022-09-04T14:48:29.059797Z",
"structure_string": "Mg2 Mo4 O14\n1.0\n6.797899 0.000000 0.000000\n0.000000 6.459199 0.000000\n0.000000 2.383598 7.847873\nMg Mo O\n2 4 14\ndirect\n0.137504 0.099410 0.357461 Mg\n0.637504 0.900590 0.642539 Mg\n0.142563 0.898817 0.793023 Mo\n0.642563 0.101183 0.206977 Mo\n0.685202 0.364992 0.774163 Mo\n0.185202 0.635008 0.225837 Mo\n0.377262 0.578759 0.367167 O\n0.877262 0.421241 0.632833 O\n0.760579 0.042617 0.415266 O\n0.260579 0.957383 0.584734 O\n0.029962 0.400806 0.278397 O\n0.529962 0.599194 0.721603 O\n0.398436 0.186764 0.231856 O\n0.898436 0.813236 0.768144 O\n0.062239 0.871422 0.248622 O\n0.562239 0.128578 0.751378 O\n0.260352 0.699180 0.988280 O\n0.760352 0.300820 0.011720 O\n0.120844 0.137249 0.844512 O\n0.620844 0.862751 0.155488 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Mg",
"Mo",
"O"
],
"chemical_system": "Mg-Mo-O",
"density": 3.1629106497336137,
"density_atomic": 0.058039632880964656,
"volume": 344.5921176141593,
"volume_molar": 10.375911185294713,
"formula_full": "Mg2 Mo4 O14",
"formula_reduced": "MgMo2O7",
"formula_anonymous": "AB2C7",
"energy": -158.10312785000002,
"energy_per_atom": -7.905156392500001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -135.67712785,
"band_gap": 3.6859,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007933,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:44.427000Z",
"spacegroup": 4
}
]
}