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=161",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_magnetic&page=159",
"results": [
{
"id": "mp-865791",
"created_at": "2022-09-04T14:46:21.767905Z",
"structure_string": "Cr1 Si1 Ru2\n1.0\n0.000000 2.965946 2.965946\n2.965946 0.000000 2.965946\n2.965946 2.965946 0.000000\nCr Si Ru\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 Si\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cr",
"Si",
"Ru"
],
"chemical_system": "Cr-Ru-Si",
"density": 8.980895278864484,
"density_atomic": 0.07665496268015168,
"volume": 52.18187916534884,
"volume_molar": 7.856165536376051,
"formula_full": "Cr1 Si1 Ru2",
"formula_reduced": "CrSiRu2",
"formula_anonymous": "ABC2",
"energy": -35.32500462,
"energy_per_atom": -8.831251155,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.32500462,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9988118,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:29.181000Z",
"spacegroup": 225
},
{
"id": "mp-761472",
"created_at": "2022-09-04T14:46:21.770156Z",
"structure_string": "Co4 Cu2 O8\n1.0\n-4.132734 4.110546 -0.008090\n4.132734 -0.008090 4.110546\n4.132734 4.110546 -0.008090\nCo Cu O\n4 2 8\ndirect\n0.004499 0.000000 0.995501 Co\n0.625000 0.250000 0.625000 Co\n0.245501 0.500000 0.254499 Co\n0.125000 0.750000 0.625000 Co\n0.625000 0.250000 0.125000 Cu\n0.625000 0.750000 0.625000 Cu\n0.839474 0.232630 0.393157 O\n0.379653 0.221071 0.399276 O\n0.870347 0.278929 0.850724 O\n0.870347 0.721071 0.408582 O\n0.875788 0.732630 0.856843 O\n0.410526 0.267370 0.856843 O\n0.374212 0.767370 0.393157 O\n0.379653 0.778929 0.841418 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Co",
"Cu",
"O"
],
"chemical_system": "Co-Cu-O",
"density": 5.835882497002109,
"density_atomic": 0.10024512085892884,
"volume": 139.65766991993226,
"volume_molar": 6.007415331938928,
"formula_full": "Co4 Cu2 O8",
"formula_reduced": "Co2CuO4",
"formula_anonymous": "AB2C4",
"energy": -92.31053861,
"energy_per_atom": -6.593609900714285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -80.26253861,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0330471,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:23.755000Z",
"spacegroup": 74
},
{
"id": "mp-1184659",
"created_at": "2022-09-04T14:46:25.170308Z",
"structure_string": "Gd1 Dy1 In2\n1.0\n0.000000 3.883740 3.883740\n3.883740 0.000000 3.883740\n3.883740 3.883740 0.000000\nGd Dy In\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Gd\n0.500000 0.500000 0.500000 Dy\n0.250000 0.250000 0.250000 In\n0.750000 0.750000 0.750000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Gd",
"Dy",
"In"
],
"chemical_system": "Dy-Gd-In",
"density": 7.786570961613311,
"density_atomic": 0.03414126052339793,
"volume": 117.16029047195524,
"volume_molar": 17.63889401761503,
"formula_full": "Gd1 Dy1 In2",
"formula_reduced": "GdDyIn2",
"formula_anonymous": "ABC2",
"energy": -25.97932895,
"energy_per_atom": -6.4948322375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.97932895,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.3340771,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:39.652000Z",
"spacegroup": 225
},
{
"id": "mp-31164",
"created_at": "2022-09-04T14:46:23.827024Z",
"structure_string": "Ce14 Ru6\n1.0\n4.813348 -8.336963 0.000000\n4.813348 8.336963 0.000000\n0.000000 0.000000 6.174456\nCe Ru\n14 6\ndirect\n0.925796 0.462898 0.035885 Ce\n0.462898 0.537102 0.535885 Ce\n0.125864 0.874136 0.257142 Ce\n0.251729 0.125864 0.757142 Ce\n0.874136 0.748271 0.757142 Ce\n0.125864 0.251729 0.257142 Ce\n0.748271 0.874136 0.257142 Ce\n0.874136 0.125864 0.757142 Ce\n0.537102 0.074204 0.035885 Ce\n0.462898 0.925796 0.535885 Ce\n0.074204 0.537102 0.535885 Ce\n0.537102 0.462898 0.035885 Ce\n0.666667 0.333333 0.538432 Ce\n0.333333 0.666667 0.038432 Ce\n0.181796 0.818204 0.787163 Ru\n0.363591 0.181796 0.287163 Ru\n0.818204 0.636409 0.287163 Ru\n0.181796 0.363591 0.787163 Ru\n0.636409 0.818204 0.787163 Ru\n0.818204 0.181796 0.287163 Ru\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Ce",
"Ru"
],
"chemical_system": "Ce-Ru",
"density": 8.605333899769322,
"density_atomic": 0.040359535934056695,
"volume": 495.5458366190813,
"volume_molar": 14.92123390576035,
"formula_full": "Ce14 Ru6",
"formula_reduced": "Ce7Ru3",
"formula_anonymous": "A3B7",
"energy": -144.17613828,
"energy_per_atom": -7.208806914,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -144.17613828,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.6876184,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:34.211000Z",
"spacegroup": 186
},
{
"id": "mp-1096467",
"created_at": "2022-09-04T14:46:25.096840Z",
"structure_string": "Li1 Rh2 W1\n1.0\n-4.914734 5.512086 7.946752\n4.914734 -5.512086 7.946752\n4.914734 5.512086 -7.946752\nLi Rh W\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.279293 0.279293 Rh\n0.000000 0.720707 0.720707 Rh\n0.000000 0.500000 0.500000 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Rh",
"W"
],
"chemical_system": "Li-Rh-W",
"density": 0.7647639247649579,
"density_atomic": 0.004645092190156326,
"volume": 861.1239209582584,
"volume_molar": 129.64523659534365,
"formula_full": "Li1 Rh2 W1",
"formula_reduced": "LiRh2W",
"formula_anonymous": "ABC2",
"energy": -18.64789955,
"energy_per_atom": -4.6619748875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.64789955,
"band_gap": 0.2301000000000002,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 1.000286,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:38.305000Z",
"spacegroup": 71
},
{
"id": "mp-555399",
"created_at": "2022-09-04T14:46:25.102757Z",
"structure_string": "Sr2 Fe6 P6 O24\n1.0\n-3.309440 5.293773 6.807697\n3.309440 -5.293773 6.807697\n3.309440 5.293773 -6.807697\nSr Fe P O\n2 6 6 24\ndirect\n0.750000 0.149766 0.399766 Sr\n0.250000 0.850234 0.600234 Sr\n0.617558 0.617558 0.500000 Fe\n0.382442 0.382442 0.500000 Fe\n0.117558 0.617558 0.000000 Fe\n0.882442 0.382442 0.000000 Fe\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.000000 Fe\n0.323490 0.823490 0.000000 P\n0.750000 0.655601 0.905601 P\n0.176510 0.176510 0.500000 P\n0.676510 0.176510 0.000000 P\n0.250000 0.344399 0.094399 P\n0.823490 0.823490 0.500000 P\n0.573502 0.931677 0.777554 O\n0.073502 0.295948 0.641825 O\n0.842469 0.883896 0.041427 O\n0.345877 0.704052 0.777554 O\n0.139461 0.204318 0.342198 O\n0.342469 0.301042 0.958573 O\n0.637880 0.702737 0.342198 O\n0.860539 0.795682 0.657802 O\n0.366170 0.489575 0.355745 O\n0.154123 0.931677 0.358175 O\n0.639461 0.297263 0.935143 O\n0.633830 0.510425 0.644255 O\n0.862120 0.204318 0.064857 O\n0.845877 0.068323 0.641825 O\n0.360539 0.702737 0.064857 O\n0.362120 0.297263 0.657802 O\n0.657531 0.698958 0.041427 O\n0.926498 0.704052 0.358175 O\n0.157531 0.116103 0.958573 O\n0.866170 0.510425 0.876595 O\n0.133830 0.489575 0.123405 O\n0.137880 0.795682 0.935143 O\n0.654123 0.295948 0.222446 O\n0.426498 0.068323 0.222446 O\n",
"nsites": 38,
"nelements": 4,
"elements": [
"Sr",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-O-P-Sr",
"density": 3.759658307704084,
"density_atomic": 0.07965326113483791,
"volume": 477.06772401538194,
"volume_molar": 7.560444700193322,
"formula_full": "Sr2 Fe6 P6 O24",
"formula_reduced": "SrFe3(PO4)3",
"formula_anonymous": "AB3C3D12",
"energy": -302.97588463,
"energy_per_atom": -7.973049595526316,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -272.95188463,
"band_gap": 0.0,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 25.9998964,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:34.931000Z",
"spacegroup": 74
},
{
"id": "mp-767328",
"created_at": "2022-09-04T14:46:21.069173Z",
"structure_string": "Li5 Fe5 Si7 O24\n1.0\n7.864131 0.000000 0.000000\n0.067991 7.945955 0.000000\n0.052716 0.159544 9.503743\nLi Fe Si O\n5 5 7 24\ndirect\n0.306750 0.582150 0.734138 Li\n0.740604 0.497190 0.256007 Li\n0.527531 0.255254 0.277888 Li\n0.021230 0.237257 0.980754 Li\n0.239992 0.005213 0.003129 Li\n0.182773 0.615377 0.000692 Fe\n0.830665 0.380476 0.526952 Fe\n0.114831 0.323018 0.257708 Fe\n0.622223 0.180288 0.000859 Fe\n0.335312 0.123611 0.728684 Fe\n0.076438 0.907022 0.246059 Si\n0.674499 0.878505 0.245524 Si\n0.373066 0.827486 0.472154 Si\n0.889631 0.675294 0.767339 Si\n0.602403 0.592042 0.006985 Si\n0.414175 0.428180 0.493105 Si\n0.919819 0.073066 0.761204 Si\n0.377190 0.946300 0.607298 O\n0.876366 0.871578 0.289776 O\n0.869949 0.877609 0.739556 O\n0.548823 0.849485 0.380457 O\n0.200284 0.861767 0.379537 O\n0.140440 0.804454 0.108112 O\n0.646239 0.714012 0.143575 O\n0.749472 0.622152 0.889693 O\n0.083949 0.631790 0.819829 O\n0.366793 0.628124 0.527378 O\n0.415641 0.622175 0.938301 O\n0.851656 0.575140 0.626406 O\n0.106968 0.416912 0.075439 O\n0.609404 0.399972 0.437084 O\n0.619964 0.403535 0.083485 O\n0.930214 0.409128 0.348948 O\n0.316279 0.349981 0.358607 O\n0.367603 0.341387 0.645465 O\n0.882701 0.179422 0.618983 O\n0.819551 0.152713 0.898014 O\n0.434274 0.105124 0.908591 O\n0.103796 0.099510 0.187069 O\n0.117022 0.094196 0.818755 O\n0.621091 0.060335 0.177638 O\n",
"nsites": 41,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Si",
"O"
],
"chemical_system": "Fe-Li-O-Si",
"density": 2.501178944045733,
"density_atomic": 0.06903865669194818,
"volume": 593.8701875811806,
"volume_molar": 8.722853323857253,
"formula_full": "Li5 Fe5 Si7 O24",
"formula_reduced": "Li5Fe5Si7O24",
"formula_anonymous": "A5B5C7D24",
"energy": -314.32831123000005,
"energy_per_atom": -7.666544176341465,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -286.56031123,
"band_gap": 2.373,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 25.0117915,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:35.228000Z",
"spacegroup": 1
},
{
"id": "mp-1174512",
"created_at": "2022-09-04T14:46:25.112897Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n5.148215 0.000000 0.000000\n-1.744398 5.610840 0.000000\n-0.878500 -1.725553 7.415342\nLi Mn Co O\n7 2 3 12\ndirect\n0.499900 0.747466 0.000501 Li\n0.510062 0.091902 0.339606 Li\n0.505620 0.416046 0.659457 Li\n0.500100 0.252534 0.999499 Li\n0.494380 0.583954 0.340543 Li\n0.489938 0.908098 0.660394 Li\n0.000000 0.500000 0.500000 Li\n0.003765 0.833885 0.831792 Mn\n0.996235 0.166115 0.168208 Mn\n0.995014 0.337161 0.820151 Co\n0.004986 0.662839 0.179849 Co\n0.000000 0.000000 0.500000 Co\n0.778081 0.561752 0.917091 O\n0.767860 0.885746 0.246369 O\n0.764724 0.208757 0.597367 O\n0.782039 0.040095 0.924764 O\n0.768480 0.358938 0.236189 O\n0.774887 0.731721 0.594255 O\n0.217961 0.959905 0.075236 O\n0.225113 0.268279 0.405745 O\n0.231520 0.641062 0.763811 O\n0.221919 0.438248 0.082909 O\n0.235276 0.791243 0.402633 O\n0.232140 0.114254 0.753631 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.087468791515301,
"density_atomic": 0.11204577783755593,
"volume": 214.1981649214415,
"volume_molar": 5.37471458204423,
"formula_full": "Li7 Mn2 Co3 O12",
"formula_reduced": "Li7Mn2(CoO4)3",
"formula_anonymous": "A2B3C7D12",
"energy": -157.71604239,
"energy_per_atom": -6.571501766250001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -141.22204239,
"band_gap": 1.2626,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0023787,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:36.982000Z",
"spacegroup": 2
},
{
"id": "mp-1034309",
"created_at": "2022-09-04T14:46:25.113503Z",
"structure_string": "Mg14 Nb1 Sn1 O16\n1.0\n8.725075 0.000000 -0.000000\n0.000000 8.816002 0.000000\n0.000000 0.000000 4.397501\nMg Nb Sn O\n14 1 1 16\ndirect\n0.500000 -0.000000 -0.000000 Mg\n0.500000 0.500000 -0.000000 Mg\n0.000000 0.253393 0.500000 Mg\n0.000000 0.746607 0.500000 Mg\n0.500000 0.250893 0.500000 Mg\n0.500000 0.749107 0.500000 Mg\n0.259859 -0.000000 0.500000 Mg\n0.255739 0.500000 0.500000 Mg\n0.740141 -0.000000 0.500000 Mg\n0.744261 0.500000 0.500000 Mg\n0.257501 0.251888 0.000000 Mg\n0.257501 0.748112 0.000000 Mg\n0.742499 0.251888 -0.000000 Mg\n0.742499 0.748112 -0.000000 Mg\n0.000000 0.500000 -0.000000 Nb\n0.000000 -0.000000 -0.000000 Sn\n0.273304 -0.000000 -0.000000 O\n0.262629 0.500000 -0.000000 O\n0.726696 -0.000000 0.000000 O\n0.737371 0.500000 0.000000 O\n0.249793 0.250326 0.500000 O\n0.249793 0.749674 0.500000 O\n0.750207 0.250326 0.500000 O\n0.750207 0.749674 0.500000 O\n0.000000 -0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 -0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.257403 -0.000000 O\n0.000000 0.742597 -0.000000 O\n0.500000 0.253477 -0.000000 O\n0.500000 0.746523 0.000000 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Mg",
"Nb",
"Sn",
"O"
],
"chemical_system": "Mg-Nb-O-Sn",
"density": 3.9659517619133893,
"density_atomic": 0.09460262399269777,
"volume": 338.2570022843133,
"volume_molar": 6.3657227525368,
"formula_full": "Mg14 Nb1 Sn1 O16",
"formula_reduced": "Mg14NbSnO16",
"formula_anonymous": "ABC14D16",
"energy": -202.12049219,
"energy_per_atom": -6.3162653809375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -191.12849219,
"band_gap": 0.8110999999999997,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 2.8333237,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:34.988000Z",
"spacegroup": 47
},
{
"id": "mp-850249",
"created_at": "2022-09-04T14:46:21.781625Z",
"structure_string": "Fe8 S10\n1.0\n7.842908 0.132703 -0.393072\n-0.122077 7.854016 0.230848\n0.284299 -0.164268 10.199464\nFe S\n8 10\ndirect\n0.292097 0.096496 0.996272 Fe\n0.594979 0.205013 0.995202 Fe\n0.900885 0.293827 0.004511 Fe\n0.204435 0.401952 0.005757 Fe\n0.707810 0.903421 0.996342 Fe\n0.404802 0.794549 0.994856 Fe\n0.099235 0.706100 0.004245 Fe\n0.795662 0.597753 0.005580 Fe\n0.790020 0.110297 0.875404 S\n0.108465 0.200971 0.124403 S\n0.386069 0.297795 0.876851 S\n0.704971 0.390469 0.122272 S\n0.996479 0.501789 0.883934 S\n0.203201 0.893574 0.874982 S\n0.898737 0.794512 0.124174 S\n0.607014 0.706220 0.876249 S\n0.301871 0.605546 0.122291 S\n0.503268 0.997717 0.116675 S\n",
"nsites": 18,
"nelements": 2,
"elements": [
"Fe",
"S"
],
"chemical_system": "Fe-S",
"density": 2.0239706418481482,
"density_atomic": 0.028589078831853385,
"volume": 629.6110520337842,
"volume_molar": 21.06447988555074,
"formula_full": "Fe8 S10",
"formula_reduced": "Fe4S5",
"formula_anonymous": "A4B5",
"energy": -122.19751227,
"energy_per_atom": -6.7887506816666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -117.16751227,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0270683,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:29.853000Z",
"spacegroup": 3
},
{
"id": "mp-26384",
"created_at": "2022-09-04T14:46:21.786307Z",
"structure_string": "Ni8 P14 O48\n1.0\n10.348019 0.000000 0.000000\n-2.605281 10.072241 0.000000\n-3.406118 -4.918568 8.934441\nNi P O\n8 14 48\ndirect\n0.894576 0.503890 0.741376 Ni\n0.381543 0.999737 0.075892 Ni\n0.664328 0.508208 0.880593 Ni\n0.832153 0.983487 0.417675 Ni\n0.167847 0.016513 0.582325 Ni\n0.335672 0.491792 0.119407 Ni\n0.618457 0.000263 0.924108 Ni\n0.105424 0.496110 0.258624 Ni\n0.457999 0.243785 0.949732 P\n0.542001 0.756215 0.050268 P\n0.177586 0.727882 0.116316 P\n0.387829 0.253692 0.521048 P\n0.822414 0.272118 0.883684 P\n0.034505 0.260178 0.753555 P\n0.946687 0.201099 0.262808 P\n0.618966 0.192002 0.434627 P\n0.223102 0.233605 0.225114 P\n0.381034 0.807998 0.565373 P\n0.053313 0.798901 0.737192 P\n0.965495 0.739822 0.246445 P\n0.612171 0.746308 0.478952 P\n0.776898 0.766395 0.774886 P\n0.262963 0.121977 0.130010 O\n0.203905 0.866005 0.873376 O\n0.987109 0.627330 0.661935 O\n0.069058 0.643243 0.951157 O\n0.719521 0.357354 0.537939 O\n0.561962 0.647022 0.923140 O\n0.565665 0.147215 0.268909 O\n0.781405 0.634766 0.804942 O\n0.796095 0.133995 0.126624 O\n0.012891 0.372670 0.338065 O\n0.930942 0.356757 0.048843 O\n0.737037 0.878023 0.869990 O\n0.280479 0.642646 0.462061 O\n0.438038 0.352978 0.076860 O\n0.434335 0.852785 0.731091 O\n0.218595 0.365234 0.195058 O\n0.529012 0.848039 0.538673 O\n0.990466 0.624301 0.297708 O\n0.662976 0.688013 0.599200 O\n0.938222 0.856055 0.792859 O\n0.505846 0.609261 0.330771 O\n0.077094 0.864435 0.637820 O\n0.494191 0.123124 0.988802 O\n0.312348 0.916133 0.540891 O\n0.819268 0.652716 0.103334 O\n0.684479 0.140741 0.842827 O\n0.098907 0.807111 0.210940 O\n0.751997 0.846750 0.489834 O\n0.976866 0.879218 0.371824 O\n0.212347 0.616070 0.171178 O\n0.410182 0.642424 0.046767 O\n0.322359 0.155511 0.796824 O\n0.677641 0.844489 0.203176 O\n0.589818 0.357576 0.953233 O\n0.787653 0.383930 0.828822 O\n0.023134 0.120782 0.628176 O\n0.248003 0.153250 0.510166 O\n0.901093 0.192889 0.789060 O\n0.315521 0.859259 0.157173 O\n0.180732 0.347284 0.896666 O\n0.687652 0.083867 0.459109 O\n0.505809 0.876876 0.011198 O\n0.922906 0.135565 0.362180 O\n0.494154 0.390739 0.669229 O\n0.061778 0.143945 0.207141 O\n0.470988 0.151961 0.461327 O\n0.009534 0.375699 0.702292 O\n0.337024 0.311987 0.400800 O\n",
"nsites": 70,
"nelements": 3,
"elements": [
"Ni",
"P",
"O"
],
"chemical_system": "Ni-O-P",
"density": 2.979985129846554,
"density_atomic": 0.07517048090466937,
"volume": 931.21660467722,
"volume_molar": 8.011310673450703,
"formula_full": "Ni8 P14 O48",
"formula_reduced": "Ni4P7O24",
"formula_anonymous": "A4B7C24",
"energy": -506.04190215000006,
"energy_per_atom": -7.229170030714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -452.73790215,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 26.0008301,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:29.071000Z",
"spacegroup": 2
},
{
"id": "mp-1097530",
"created_at": "2022-09-04T14:46:25.131278Z",
"structure_string": "Zn2 Ir1 Pd1\n1.0\n-4.845249 5.247219 7.212649\n4.845249 -5.247219 7.212649\n4.845249 5.247219 -7.212649\nZn Ir Pd\n2 1 1\ndirect\n0.000000 0.250423 0.250423 Zn\n0.000000 0.749577 0.749577 Zn\n0.000000 0.500000 0.500000 Ir\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zn",
"Ir",
"Pd"
],
"chemical_system": "Ir-Pd-Zn",
"density": 0.9722247674816589,
"density_atomic": 0.005453306541692275,
"volume": 733.4999361247565,
"volume_molar": 110.4309965698573,
"formula_full": "Zn2 Ir1 Pd1",
"formula_reduced": "Zn2IrPd",
"formula_anonymous": "ABC2",
"energy": -8.4281739,
"energy_per_atom": -2.107043475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.4281739,
"band_gap": 0.0569999999999994,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9920607,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:29.775000Z",
"spacegroup": 71
}
]
}