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=is_magnetic&page=24",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_magnetic&page=22",
"results": [
{
"id": "mp-1212787",
"created_at": "2022-09-04T14:47:02.729572Z",
"structure_string": "Er4 Mg2 Ti2 O12\n1.0\n5.610042 0.000000 0.000000\n0.000000 5.303085 0.000000\n0.000000 5.231759 7.695020\nEr Mg Ti O\n4 2 2 12\ndirect\n0.064075 0.727134 0.754822 Er\n0.935925 0.272866 0.245178 Er\n0.564075 0.272866 0.745178 Er\n0.435925 0.727134 0.254822 Er\n0.500000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.447582 0.878145 0.742110 O\n0.552418 0.121855 0.257890 O\n0.947582 0.121855 0.757890 O\n0.052418 0.878145 0.242110 O\n0.795331 0.747499 0.568809 O\n0.204669 0.252501 0.431191 O\n0.295331 0.252501 0.931191 O\n0.704669 0.747499 0.068809 O\n0.312996 0.642895 0.554642 O\n0.687004 0.357105 0.445358 O\n0.812996 0.357105 0.945358 O\n0.187004 0.642895 0.054642 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Er",
"Mg",
"Ti",
"O"
],
"chemical_system": "Er-Mg-O-Ti",
"density": 7.292421705126962,
"density_atomic": 0.0873625982416278,
"volume": 228.93092012538278,
"volume_molar": 6.8932711265568605,
"formula_full": "Er4 Mg2 Ti2 O12",
"formula_reduced": "Er2MgTiO6",
"formula_anonymous": "ABC2D6",
"energy": -170.94336958,
"energy_per_atom": -8.547168479,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -162.69936958,
"band_gap": 3.2353,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006705,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:46.058000Z",
"spacegroup": 14
},
{
"id": "mp-1222287",
"created_at": "2022-09-04T14:47:03.604494Z",
"structure_string": "Li1 Tb1 Se2\n1.0\n4.102055 0.000000 0.000000\n0.000000 4.102055 0.000000\n0.000000 0.000000 5.595306\nLi Tb Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 0.500000 Se\n0.500000 0.500000 0.000000 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Tb",
"Se"
],
"chemical_system": "Li-Se-Tb",
"density": 5.710588059429674,
"density_atomic": 0.04248476210086705,
"volume": 94.15140399052312,
"volume_molar": 14.174825189563899,
"formula_full": "Li1 Tb1 Se2",
"formula_reduced": "LiTbSe2",
"formula_anonymous": "ABC2",
"energy": -20.919542,
"energy_per_atom": -5.2298855,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.975542,
"band_gap": 0.1076999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.9e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:53.825000Z",
"spacegroup": 123
},
{
"id": "mp-1022112",
"created_at": "2022-09-04T14:47:01.927570Z",
"structure_string": "La2 Mg12 Cu2\n1.0\n4.880213 0.000000 0.000000\n0.000000 6.282454 0.000000\n0.000000 0.000000 12.427406\nLa Mg Cu\n2 12 2\ndirect\n0.500000 0.000000 0.701272 La\n0.500000 0.500000 0.201272 La\n0.000000 0.249634 0.558976 Mg\n0.000000 0.750366 0.558976 Mg\n0.000000 0.500000 0.807421 Mg\n0.500000 0.749739 0.927429 Mg\n0.500000 0.250261 0.927429 Mg\n0.500000 0.500000 0.650487 Mg\n0.000000 0.749634 0.058976 Mg\n0.000000 0.250366 0.058976 Mg\n0.000000 0.000000 0.307421 Mg\n0.500000 0.249739 0.427429 Mg\n0.500000 0.750261 0.427429 Mg\n0.500000 0.000000 0.150487 Mg\n0.000000 0.000000 0.868011 Cu\n0.000000 0.500000 0.368011 Cu\n",
"nsites": 16,
"nelements": 3,
"elements": [
"La",
"Mg",
"Cu"
],
"chemical_system": "Cu-La-Mg",
"density": 3.0357141869993796,
"density_atomic": 0.04199246809784494,
"volume": 381.020709778693,
"volume_molar": 14.341002167264987,
"formula_full": "La2 Mg12 Cu2",
"formula_reduced": "LaMg6Cu",
"formula_anonymous": "ABC6",
"energy": -36.85346968,
"energy_per_atom": -2.303341855,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.85346968,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0021183,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:55.816000Z",
"spacegroup": 38
},
{
"id": "mp-11233",
"created_at": "2022-09-04T14:47:02.792914Z",
"structure_string": "Zr2 Al2\n1.0\n1.677617 -5.477335 0.000000\n1.677617 5.477335 0.000000\n0.000000 0.000000 4.305273\nZr Al\n2 2\ndirect\n0.840030 0.159970 0.250000 Zr\n0.159970 0.840030 0.750000 Zr\n0.571131 0.428869 0.250000 Al\n0.428869 0.571131 0.750000 Al\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zr",
"Al"
],
"chemical_system": "Al-Zr",
"density": 4.961626929465305,
"density_atomic": 0.05055535659675495,
"volume": 79.12119049827358,
"volume_molar": 11.911973656984452,
"formula_full": "Zr2 Al2",
"formula_reduced": "ZrAl",
"formula_anonymous": "AB",
"energy": -26.43922609,
"energy_per_atom": -6.6098065225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.43922609,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013556,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:54.647000Z",
"spacegroup": 63
},
{
"id": "mp-24597",
"created_at": "2022-09-04T14:47:02.853418Z",
"structure_string": "Cr2 Cd1 H14 N4 O8\n1.0\n6.227838 0.000000 0.000000\n-3.007031 6.360974 0.000000\n-0.450440 -2.875564 7.321866\nCr Cd H N O\n2 1 14 4 8\ndirect\n0.324041 0.669809 0.777630 Cr\n0.675959 0.330191 0.222370 Cr\n0.000000 0.000000 0.000000 Cd\n0.771992 0.887846 0.651266 H\n0.228008 0.112154 0.348734 H\n0.025391 0.128008 0.689796 H\n0.974609 0.871992 0.310204 H\n0.034274 0.885480 0.640268 H\n0.965726 0.114520 0.359732 H\n0.411807 0.808640 0.237355 H\n0.588193 0.191360 0.762645 H\n0.349969 0.712314 0.409501 H\n0.650031 0.287686 0.590499 H\n0.153573 0.559567 0.200206 H\n0.846427 0.440433 0.799794 H\n0.423301 0.567007 0.223085 H\n0.576699 0.432993 0.776915 H\n0.954448 0.976730 0.710035 N\n0.045552 0.023270 0.289965 N\n0.335711 0.663994 0.268039 N\n0.664289 0.336006 0.731961 N\n0.575630 0.713460 0.907394 O\n0.424370 0.286540 0.092606 O\n0.129868 0.709957 0.906705 O\n0.870132 0.290043 0.093295 O\n0.400257 0.841417 0.658899 O\n0.599743 0.158583 0.341101 O\n0.188903 0.405181 0.635730 O\n0.811097 0.594819 0.364270 O\n",
"nsites": 29,
"nelements": 5,
"elements": [
"Cr",
"Cd",
"H",
"N",
"O"
],
"chemical_system": "Cd-Cr-H-N-O",
"density": 2.3731709478551424,
"density_atomic": 0.09998049761267969,
"volume": 290.05656795533065,
"volume_molar": 6.023315450308643,
"formula_full": "Cr2 Cd1 H14 N4 O8",
"formula_reduced": "Cr2CdH14(NO2)4",
"formula_anonymous": "AB2C4D8E14",
"energy": -169.61892688999998,
"energy_per_atom": -5.848928513448275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -158.68092689,
"band_gap": 2.8216,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.36e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:51.233000Z",
"spacegroup": 2
},
{
"id": "mp-1182737",
"created_at": "2022-09-04T14:47:02.667355Z",
"structure_string": "Cs12 Si6 S36 O126\n1.0\n17.154699 -0.000008 0.000010\n-8.577356 14.856402 0.000002\n0.000007 0.000005 12.008145\nCs Si S O\n12 6 36 126\ndirect\n0.694577 0.005918 0.418893 Cs\n0.311338 0.305425 0.418895 Cs\n0.994086 0.688653 0.418898 Cs\n0.305423 0.994082 0.581107 Cs\n0.688662 0.694575 0.581105 Cs\n0.005914 0.311347 0.581102 Cs\n0.642617 0.993238 0.922586 Cs\n0.350619 0.357385 0.922583 Cs\n0.006764 0.649377 0.922584 Cs\n0.357383 0.006762 0.077414 Cs\n0.649381 0.642615 0.077417 Cs\n0.993236 0.350623 0.077416 Cs\n1.000000 1.000000 0.209157 Si\n0.000000 0.000000 0.790843 Si\n0.333336 0.666668 0.283109 Si\n0.666664 0.333332 0.716891 Si\n0.666664 0.333332 0.281138 Si\n0.333336 0.666668 0.718862 Si\n0.808924 0.942576 0.130770 S\n0.133653 0.191077 0.130770 S\n0.057423 0.866347 0.130772 S\n0.191076 0.057424 0.869230 S\n0.866347 0.808923 0.869230 S\n0.942577 0.133653 0.869228 S\n0.827171 0.850055 0.322487 S\n0.022885 0.172829 0.322488 S\n0.149943 0.977114 0.322487 S\n0.172829 0.149945 0.677513 S\n0.977115 0.827171 0.677512 S\n0.850057 0.022886 0.677513 S\n0.618998 0.145302 0.634066 S\n0.526302 0.381000 0.634066 S\n0.854694 0.473695 0.634065 S\n0.381002 0.854698 0.365934 S\n0.473698 0.619000 0.365934 S\n0.145306 0.526305 0.365935 S\n0.482915 0.845686 0.178713 S\n0.362774 0.517087 0.178713 S\n0.154317 0.637229 0.178713 S\n0.517085 0.154314 0.821287 S\n0.637226 0.482913 0.821287 S\n0.845683 0.362771 0.821287 S\n0.477962 0.192666 0.360711 S\n0.714703 0.522034 0.360711 S\n0.807330 0.285296 0.360711 S\n0.522038 0.807334 0.639289 S\n0.285297 0.477966 0.639289 S\n0.192670 0.714704 0.639289 S\n0.298756 0.807721 0.834965 S\n0.508969 0.701249 0.834965 S\n0.192281 0.491035 0.834963 S\n0.701244 0.192279 0.165035 S\n0.491031 0.298751 0.165035 S\n0.807719 0.508965 0.165037 S\n0.787169 0.998825 0.196447 O\n0.211656 0.212831 0.196448 O\n0.001176 0.788345 0.196448 O\n0.212831 0.001175 0.803553 O\n0.788344 0.787169 0.803552 O\n0.998824 0.211655 0.803552 O\n0.909753 0.981073 0.118826 O\n0.071320 0.090247 0.118827 O\n0.018927 0.928680 0.118826 O\n0.090247 0.018927 0.881174 O\n0.928680 0.909753 0.881173 O\n0.981073 0.071320 0.881174 O\n0.765782 0.908932 0.025635 O\n0.143150 0.234217 0.025635 O\n0.091068 0.856851 0.025634 O\n0.234218 0.091068 0.974365 O\n0.856850 0.765783 0.974365 O\n0.908932 0.143149 0.974366 O\n0.927096 0.907790 0.297033 O\n0.980693 0.072904 0.297034 O\n0.092210 0.019306 0.297033 O\n0.072904 0.092210 0.702967 O\n0.019307 0.927096 0.702966 O\n0.907790 0.980694 0.702967 O\n0.798061 0.890872 0.404822 O\n0.092810 0.201939 0.404823 O\n0.109128 0.907190 0.404821 O\n0.201939 0.109128 0.595178 O\n0.907190 0.798061 0.595177 O\n0.890872 0.092810 0.595179 O\n0.779043 0.848261 0.202063 O\n0.069219 0.220958 0.202063 O\n0.151739 0.930782 0.202062 O\n0.220957 0.151739 0.797937 O\n0.930781 0.779042 0.797937 O\n0.848261 0.069218 0.797938 O\n0.521459 0.112660 0.697736 O\n0.591201 0.478539 0.697736 O\n0.887333 0.408796 0.697735 O\n0.478541 0.887340 0.302264 O\n0.408799 0.521461 0.302264 O\n0.112667 0.591204 0.302265 O\n0.657904 0.246616 0.626562 O\n0.588707 0.342090 0.626563 O\n0.753379 0.411289 0.626563 O\n0.342096 0.753384 0.373438 O\n0.411293 0.657910 0.373437 O\n0.246621 0.588711 0.373437 O\n0.591472 0.105954 0.525695 O\n0.514482 0.408527 0.525695 O\n0.894041 0.485517 0.525695 O\n0.408528 0.894046 0.474305 O\n0.485518 0.591473 0.474305 O\n0.105959 0.514483 0.474305 O\n0.421908 0.744880 0.194382 O\n0.322978 0.578097 0.194380 O\n0.255124 0.677028 0.194381 O\n0.578092 0.255120 0.805618 O\n0.677022 0.421903 0.805620 O\n0.744876 0.322972 0.805619 O\n0.671894 0.121229 0.703030 O\n0.449333 0.328106 0.703032 O\n0.878768 0.550664 0.703031 O\n0.328106 0.878771 0.296970 O\n0.550667 0.671894 0.296968 O\n0.121232 0.449336 0.296969 O\n0.447858 0.880497 0.095974 O\n0.432641 0.552142 0.095972 O\n0.119506 0.567362 0.095974 O\n0.552142 0.119503 0.904026 O\n0.567359 0.447858 0.904028 O\n0.880494 0.432638 0.904026 O\n0.575404 0.869077 0.172640 O\n0.293674 0.424600 0.172641 O\n0.130928 0.706328 0.172643 O\n0.424596 0.130923 0.827360 O\n0.706326 0.575400 0.827359 O\n0.869072 0.293672 0.827357 O\n0.803556 0.757968 0.336241 O\n0.954412 0.196445 0.336244 O\n0.242032 0.045588 0.336241 O\n0.196444 0.242032 0.663759 O\n0.045588 0.803555 0.663756 O\n0.757968 0.954412 0.663759 O\n0.578005 0.258812 0.371914 O\n0.680802 0.421991 0.371914 O\n0.741184 0.319193 0.371915 O\n0.421995 0.741188 0.628086 O\n0.319198 0.578009 0.628086 O\n0.258816 0.680807 0.628085 O\n0.348755 0.757909 0.805876 O\n0.409159 0.651251 0.805876 O\n0.242096 0.590846 0.805877 O\n0.651245 0.242091 0.194124 O\n0.590841 0.348749 0.194124 O\n0.757904 0.409154 0.194123 O\n0.434173 0.184248 0.465352 O\n0.750074 0.565823 0.465352 O\n0.815750 0.249926 0.465352 O\n0.565827 0.815752 0.534648 O\n0.249926 0.434177 0.534648 O\n0.184250 0.750074 0.534648 O\n0.459225 0.113579 0.299373 O\n0.654353 0.540773 0.299372 O\n0.886417 0.345648 0.299373 O\n0.540775 0.886421 0.700627 O\n0.345647 0.459227 0.700628 O\n0.113583 0.654352 0.700627 O\n0.443319 0.251161 0.285775 O\n0.807840 0.556675 0.285777 O\n0.748836 0.192160 0.285776 O\n0.556681 0.748839 0.714225 O\n0.192160 0.443325 0.714223 O\n0.251164 0.807840 0.714224 O\n0.361390 0.901506 0.850524 O\n0.540119 0.638612 0.850525 O\n0.098498 0.459887 0.850523 O\n0.638610 0.098494 0.149476 O\n0.459881 0.361388 0.149475 O\n0.901502 0.540113 0.149477 O\n0.228983 0.760230 0.915385 O\n0.531252 0.771020 0.915386 O\n0.239770 0.468750 0.915385 O\n0.771017 0.239770 0.084615 O\n0.468748 0.228980 0.084614 O\n0.760230 0.531250 0.084615 O\n",
"nsites": 180,
"nelements": 4,
"elements": [
"Cs",
"Si",
"S",
"O"
],
"chemical_system": "Cs-O-S-Si",
"density": 2.676974604736693,
"density_atomic": 0.05881660516876427,
"volume": 3060.3602415256805,
"volume_molar": 10.238844528208471,
"formula_full": "Cs12 Si6 S36 O126",
"formula_reduced": "Cs2Si(S2O7)3",
"formula_anonymous": "AB2C6D21",
"energy": -1172.78860131,
"energy_per_atom": -6.5154922295,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1086.22660131,
"band_gap": 5.2785,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:46.775000Z",
"spacegroup": 147
},
{
"id": "mp-973141",
"created_at": "2022-09-04T14:47:02.675134Z",
"structure_string": "Sc1 Cd1 Cu2\n1.0\n0.000000 3.194987 3.194987\n3.194987 0.000000 3.194987\n3.194987 3.194987 0.000000\nSc Cd Cu\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Cd\n0.750000 0.750000 0.750000 Cu\n0.250000 0.250000 0.250000 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Cd",
"Cu"
],
"chemical_system": "Cd-Cu-Sc",
"density": 7.24154710757474,
"density_atomic": 0.06132290348780705,
"volume": 65.22848352728973,
"volume_molar": 9.820377734067002,
"formula_full": "Sc1 Cd1 Cu2",
"formula_reduced": "ScCdCu2",
"formula_anonymous": "ABC2",
"energy": -16.24568537,
"energy_per_atom": -4.0614213425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.24568537,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013987,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:53.757000Z",
"spacegroup": 225
},
{
"id": "mp-29835",
"created_at": "2022-09-04T14:47:02.125050Z",
"structure_string": "K8 Sn4 Te12\n1.0\n4.396131 -11.713516 0.000000\n4.396131 11.713516 0.000000\n0.000000 0.000000 8.837833\nK Sn Te\n8 4 12\ndirect\n0.077780 0.922220 0.000000 K\n0.422220 0.577780 0.500000 K\n0.922220 0.077780 0.000000 K\n0.577780 0.422220 0.500000 K\n0.234827 0.765173 0.000000 K\n0.734827 0.265173 0.500000 K\n0.265173 0.734827 0.500000 K\n0.765173 0.234827 0.000000 K\n0.415698 0.584302 0.000000 Sn\n0.084302 0.915698 0.500000 Sn\n0.584302 0.415698 0.000000 Sn\n0.915698 0.084302 0.500000 Sn\n0.335713 0.036832 0.686120 Te\n0.536832 0.835713 0.813880 Te\n0.164287 0.463168 0.186120 Te\n0.963168 0.664287 0.313880 Te\n0.664287 0.963168 0.313880 Te\n0.463168 0.164287 0.186120 Te\n0.835713 0.536832 0.813880 Te\n0.036832 0.335713 0.686120 Te\n0.832293 0.832293 0.667899 Te\n0.332293 0.332293 0.832101 Te\n0.667707 0.667707 0.167899 Te\n0.167707 0.167707 0.332101 Te\n",
"nsites": 24,
"nelements": 3,
"elements": [
"K",
"Sn",
"Te"
],
"chemical_system": "K-Sn-Te",
"density": 4.230421557631976,
"density_atomic": 0.02636802213706269,
"volume": 910.1934106110214,
"volume_molar": 22.838803489683535,
"formula_full": "K8 Sn4 Te12",
"formula_reduced": "K2SnTe3",
"formula_anonymous": "AB2C3",
"energy": -84.21085506,
"energy_per_atom": -3.5087856275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -79.14685506,
"band_gap": 0.8307000000000002,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0035491,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:55.748000Z",
"spacegroup": 64
},
{
"id": "mp-1233184",
"created_at": "2022-09-04T14:47:02.752519Z",
"structure_string": "K2 Ca1 Nd4 Nb2 O12\n1.0\n5.893470 0.154023 0.184380\n-2.834669 6.189972 -1.738232\n0.293163 0.159084 8.929166\nK Ca Nd Nb O\n2 1 4 2 12\ndirect\n0.126106 0.235502 0.470365 K\n0.996809 0.809736 0.634965 K\n0.690551 0.613453 0.366196 Ca\n0.154740 0.289168 0.940743 Nd\n0.547305 0.109356 0.179554 Nd\n0.456093 0.821840 0.786020 Nd\n0.890785 0.750450 0.040677 Nd\n0.689657 0.324363 0.698768 Nb\n0.250413 0.647108 0.279445 Nb\n0.021141 0.531926 0.813808 O\n0.160774 0.886979 0.287870 O\n0.257989 0.988979 0.976392 O\n0.809558 0.104553 0.699201 O\n0.634985 0.851307 0.262318 O\n0.775276 0.007905 0.980784 O\n0.359069 0.135556 0.718968 O\n0.925019 0.458720 0.170595 O\n0.704378 0.363274 0.496188 O\n0.375297 0.669401 0.503011 O\n0.369873 0.395317 0.195127 O\n0.575016 0.551407 0.834719 O\n",
"nsites": 21,
"nelements": 5,
"elements": [
"K",
"Ca",
"Nd",
"Nb",
"O"
],
"chemical_system": "Ca-K-Nb-Nd-O",
"density": 5.386913798203342,
"density_atomic": 0.06348790686948567,
"volume": 330.7716545636075,
"volume_molar": 9.485492681905432,
"formula_full": "K2 Ca1 Nd4 Nb2 O12",
"formula_reduced": "K2CaNd4Nb2O12",
"formula_anonymous": "AB2C2D4E12",
"energy": -167.96893288,
"energy_per_atom": -7.9985206133333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -159.72493288,
"band_gap": 0.4659999999999993,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:49.999000Z",
"spacegroup": 1
},
{
"id": "mp-5057",
"created_at": "2022-09-04T14:47:02.756861Z",
"structure_string": "Nd1 Si2 Au2\n1.0\n-2.172365 2.172365 5.137889\n2.172365 -2.172365 5.137889\n2.172365 2.172365 -5.137889\nNd Si Au\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.614250 0.614250 0.000000 Si\n0.385750 0.385750 0.000000 Si\n0.750000 0.250000 0.500000 Au\n0.250000 0.750000 0.500000 Au\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Nd",
"Si",
"Au"
],
"chemical_system": "Au-Nd-Si",
"density": 10.176026742692603,
"density_atomic": 0.05155368355669934,
"volume": 96.98628022381644,
"volume_molar": 11.681300625932538,
"formula_full": "Nd1 Si2 Au2",
"formula_reduced": "Nd(SiAu)2",
"formula_anonymous": "AB2C2",
"energy": -25.23796252,
"energy_per_atom": -5.047592504,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.23796252,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013451,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:50.856000Z",
"spacegroup": 139
},
{
"id": "mp-2167",
"created_at": "2022-09-04T14:47:02.757799Z",
"structure_string": "Dy1 Ag1\n1.0\n3.643197 0.000000 0.000000\n0.000000 3.643197 0.000000\n0.000000 0.000000 3.643197\nDy Ag\n1 1\ndirect\n0.500000 0.500000 0.500000 Dy\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Dy",
"Ag"
],
"chemical_system": "Ag-Dy",
"density": 9.284461939075598,
"density_atomic": 0.041360142721886595,
"volume": 48.355732557510194,
"volume_molar": 14.560251400712058,
"formula_full": "Dy1 Ag1",
"formula_reduced": "DyAg",
"formula_anonymous": "AB",
"energy": -8.10748619,
"energy_per_atom": -4.053743095,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.10748619,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001687,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:51.162000Z",
"spacegroup": 221
},
{
"id": "mp-7032",
"created_at": "2022-09-04T14:47:03.471679Z",
"structure_string": "Hf3 Mo3 P3\n1.0\n3.465711 -6.002788 0.000000\n3.465711 6.002788 0.000000\n0.000000 0.000000 3.414410\nHf Mo P\n3 3 3\ndirect\n0.000000 0.596710 0.500000 Hf\n0.403290 0.403290 0.500000 Hf\n0.596710 0.000000 0.500000 Hf\n0.253000 0.000000 0.000000 Mo\n0.747000 0.747000 0.000000 Mo\n0.000000 0.253000 0.000000 Mo\n0.666667 0.333333 0.000000 P\n0.333333 0.666667 0.000000 P\n0.000000 0.000000 0.500000 P\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Hf",
"Mo",
"P"
],
"chemical_system": "Hf-Mo-P",
"density": 10.709118366970957,
"density_atomic": 0.06335071102728011,
"volume": 142.06628235197576,
"volume_molar": 9.506034995261132,
"formula_full": "Hf3 Mo3 P3",
"formula_reduced": "HfMoP",
"formula_anonymous": "ABC",
"energy": -87.36288766,
"energy_per_atom": -9.706987517777778,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -87.36288766,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0041515,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:52.528000Z",
"spacegroup": 189
}
]
}