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=-energy_above_hull&page=69",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_above_hull&page=67",
"results": [
{
"id": "mp-505483",
"created_at": "2022-09-04T14:41:46.203458Z",
"structure_string": "Sm8 Ge8 Pt8\n1.0\n4.456304 0.000000 0.000000\n0.000000 7.661428 0.000000\n0.000000 0.000000 14.443982\nSm Ge Pt\n8 8 8\ndirect\n0.500000 0.790815 0.747895 Sm\n0.000000 0.209185 0.752105 Sm\n0.500000 0.790815 0.252105 Sm\n0.000000 0.209185 0.247895 Sm\n0.500000 0.707803 0.000000 Sm\n0.000000 0.292197 0.500000 Sm\n0.500000 0.704887 0.500000 Sm\n0.000000 0.295113 0.000000 Sm\n0.500000 0.410616 0.649112 Ge\n0.000000 0.589384 0.850888 Ge\n0.500000 0.410616 0.350888 Ge\n0.000000 0.589384 0.149112 Ge\n0.500000 0.088800 0.095332 Ge\n0.000000 0.911200 0.404668 Ge\n0.500000 0.088800 0.904668 Ge\n0.000000 0.911200 0.595332 Ge\n0.500000 0.079543 0.608597 Pt\n0.000000 0.920457 0.891403 Pt\n0.500000 0.079543 0.391403 Pt\n0.000000 0.920457 0.108597 Pt\n0.500000 0.417182 0.151775 Pt\n0.000000 0.582818 0.348225 Pt\n0.500000 0.417182 0.848225 Pt\n0.000000 0.582818 0.651775 Pt\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Sm",
"Ge",
"Pt"
],
"chemical_system": "Ge-Pt-Sm",
"density": 11.262405475257784,
"density_atomic": 0.04866758193925302,
"volume": 493.1414104353254,
"volume_molar": 12.37402911761026,
"formula_full": "Sm8 Ge8 Pt8",
"formula_reduced": "SmGePt",
"formula_anonymous": "ABC",
"energy": -149.83518992,
"energy_per_atom": -6.2431329133333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -149.83518992,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0017305,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:23.524000Z",
"spacegroup": 59
},
{
"id": "mp-1036102",
"created_at": "2022-09-04T14:41:46.206820Z",
"structure_string": "Mg14 Mn1 Si1 O16\n1.0\n4.306385 0.000000 0.000000\n0.000000 8.600733 0.000000\n0.000000 0.000000 8.629823\nMg Mn Si O\n14 1 1 16\ndirect\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.750893 0.000000 Mg\n0.500000 0.249107 0.000000 Mg\n0.500000 0.750391 0.500000 Mg\n0.500000 0.249609 0.500000 Mg\n0.500000 0.000000 0.748207 Mg\n0.500000 0.500000 0.746979 Mg\n0.500000 0.000000 0.251793 Mg\n0.500000 0.500000 0.253021 Mg\n0.000000 0.750238 0.747653 Mg\n0.000000 0.249762 0.747653 Mg\n0.000000 0.750238 0.252347 Mg\n0.000000 0.249762 0.252347 Mg\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Si\n0.000000 0.000000 0.741294 O\n0.000000 0.500000 0.737028 O\n0.000000 0.000000 0.258706 O\n0.000000 0.500000 0.262972 O\n0.500000 0.749722 0.751384 O\n0.500000 0.250278 0.751384 O\n0.500000 0.749722 0.248616 O\n0.500000 0.250278 0.248616 O\n0.500000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.752199 0.000000 O\n0.000000 0.247801 0.000000 O\n0.000000 0.751306 0.500000 O\n0.000000 0.248694 0.500000 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Mg",
"Mn",
"Si",
"O"
],
"chemical_system": "Mg-Mn-O-Si",
"density": 3.5289884703414165,
"density_atomic": 0.10011514258842603,
"volume": 319.6319674792074,
"volume_molar": 6.01521468611103,
"formula_full": "Mg14 Mn1 Si1 O16",
"formula_reduced": "Mg14MnSiO16",
"formula_anonymous": "ABC14D16",
"energy": -206.19079607,
"energy_per_atom": -6.4434623771875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -193.53079607,
"band_gap": 0.2791999999999994,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.0002028,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:22.381000Z",
"spacegroup": 47
},
{
"id": "mp-1077948",
"created_at": "2022-09-04T14:41:46.210034Z",
"structure_string": "Te4 Pt3\n1.0\n2.339707 7.995133 0.000000\n-2.339707 7.995133 0.000000\n0.000000 0.910762 7.369794\nTe Pt\n4 3\ndirect\n0.157519 0.157519 0.036850 Te\n0.842481 0.842481 0.963150 Te\n0.391239 0.391239 0.672131 Te\n0.608761 0.608761 0.327869 Te\n0.000000 0.000000 0.000000 Pt\n0.040222 0.040222 0.338896 Pt\n0.959778 0.959778 0.661104 Pt\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Te",
"Pt"
],
"chemical_system": "Pt-Te",
"density": 6.5985607877529455,
"density_atomic": 0.025387826904617522,
"volume": 275.7226928598148,
"volume_molar": 23.720583816115024,
"formula_full": "Te4 Pt3",
"formula_reduced": "Te4Pt3",
"formula_anonymous": "A3B4",
"energy": -30.77901489,
"energy_per_atom": -4.397002127142857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.09101489,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001362,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:43.177000Z",
"spacegroup": 12
},
{
"id": "mp-1222770",
"created_at": "2022-09-04T14:41:46.336194Z",
"structure_string": "Lu4 Ge8 Rh1\n1.0\n0.000000 0.000000 3.968167\n4.083077 0.000000 0.000000\n0.000000 16.028009 0.000000\nLu Ge Rh\n4 8 1\ndirect\n0.250000 0.000000 0.096931 Lu\n0.250000 0.500000 0.610047 Lu\n0.750000 0.500000 0.399417 Lu\n0.750000 0.000000 0.894852 Lu\n0.250000 0.000000 0.467618 Ge\n0.250000 0.500000 0.940242 Ge\n0.750000 0.500000 0.047850 Ge\n0.750000 0.000000 0.570977 Ge\n0.250000 0.500000 0.228875 Ge\n0.250000 0.000000 0.750319 Ge\n0.750000 0.000000 0.227242 Ge\n0.750000 0.500000 0.755139 Ge\n0.250000 0.000000 0.317492 Rh\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Lu",
"Ge",
"Rh"
],
"chemical_system": "Ge-Lu-Rh",
"density": 8.849009842471444,
"density_atomic": 0.05005947187361284,
"volume": 259.6911136582028,
"volume_molar": 12.029972619775817,
"formula_full": "Lu4 Ge8 Rh1",
"formula_reduced": "Lu4Ge8Rh",
"formula_anonymous": "AB4C8",
"energy": -70.1505043,
"energy_per_atom": -5.396192638461538,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.1505043,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002334,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:23.239000Z",
"spacegroup": 25
},
{
"id": "mp-1097228",
"created_at": "2022-09-04T14:41:46.352240Z",
"structure_string": "Li1 Al2 Au1\n1.0\n-5.212003 5.268369 7.352838\n5.212003 -5.268369 7.352838\n5.212003 5.268369 -7.352838\nLi Al Au\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.735807 0.000000 0.735807 Al\n0.264193 0.000000 0.264193 Al\n0.500000 0.000000 0.500000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Al",
"Au"
],
"chemical_system": "Al-Au-Li",
"density": 0.5302188635045474,
"density_atomic": 0.004952952463241722,
"volume": 807.5991097604817,
"volume_molar": 121.58688791570778,
"formula_full": "Li1 Al2 Au1",
"formula_reduced": "LiAl2Au",
"formula_anonymous": "ABC2",
"energy": -7.6868697,
"energy_per_atom": -1.921717425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.6868697,
"band_gap": 0.0285999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.46e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:20.573000Z",
"spacegroup": 71
},
{
"id": "mp-9158",
"created_at": "2022-09-04T14:41:46.366470Z",
"structure_string": "Li1 Cu1 O2\n1.0\n1.367628 2.930921 0.000000\n-1.367628 2.930921 0.000000\n0.000000 2.693152 4.873931\nLi Cu O\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Cu\n0.416035 0.416035 0.253499 O\n0.583965 0.583965 0.746501 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Cu",
"O"
],
"chemical_system": "Cu-Li-O",
"density": 4.35543287037612,
"density_atomic": 0.10237137174203653,
"volume": 39.073423867753924,
"volume_molar": 5.882641462668944,
"formula_full": "Li1 Cu1 O2",
"formula_reduced": "LiCuO2",
"formula_anonymous": "ABC2",
"energy": -21.70637719,
"energy_per_atom": -5.4265942975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.33237719,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8e-07,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:24.531000Z",
"spacegroup": 12
},
{
"id": "mp-1016338",
"created_at": "2022-09-04T14:41:46.371219Z",
"structure_string": "Sr2 Mg12 Cd2\n1.0\n5.246933 0.000000 0.000000\n0.000000 6.682835 0.000000\n0.000000 0.000000 11.877265\nSr Mg Cd\n2 12 2\ndirect\n0.500000 0.000000 0.168733 Sr\n0.500000 0.500000 0.668733 Sr\n0.500000 0.243699 0.418922 Mg\n0.500000 0.756301 0.418922 Mg\n0.000000 0.736434 0.079335 Mg\n0.000000 0.263566 0.079335 Mg\n0.000000 0.000000 0.341889 Mg\n0.000000 0.500000 0.332251 Mg\n0.500000 0.743699 0.918922 Mg\n0.500000 0.256301 0.918922 Mg\n0.000000 0.236434 0.579335 Mg\n0.000000 0.763566 0.579335 Mg\n0.000000 0.500000 0.841889 Mg\n0.000000 0.000000 0.832251 Mg\n0.500000 0.500000 0.160610 Cd\n0.500000 0.000000 0.660610 Cd\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Sr",
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg-Sr",
"density": 2.7580236286696627,
"density_atomic": 0.038418223545284305,
"volume": 416.46902234145443,
"volume_molar": 15.675219216998896,
"formula_full": "Sr2 Mg12 Cd2",
"formula_reduced": "SrMg6Cd",
"formula_anonymous": "ABC6",
"energy": -24.13414497,
"energy_per_atom": -1.508384060625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.13414497,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0075863,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:24.739000Z",
"spacegroup": 38
},
{
"id": "mp-21742",
"created_at": "2022-09-04T14:41:46.173768Z",
"structure_string": "Ba20 Al4 Ir8 O44\n1.0\n5.836725 0.000000 0.000000\n0.000000 11.256607 0.000000\n0.000000 0.000000 18.971106\nBa Al Ir O\n20 4 8 44\ndirect\n0.750000 0.604524 0.026584 Ba\n0.250000 0.874314 0.252771 Ba\n0.750000 0.045825 0.328068 Ba\n0.750000 0.895476 0.526584 Ba\n0.250000 0.473001 0.426505 Ba\n0.750000 0.454175 0.828068 Ba\n0.250000 0.395476 0.973416 Ba\n0.750000 0.125686 0.747229 Ba\n0.250000 0.625686 0.752771 Ba\n0.750000 0.973001 0.073495 Ba\n0.250000 0.104524 0.473416 Ba\n0.750000 0.692201 0.360859 Ba\n0.750000 0.807799 0.860859 Ba\n0.250000 0.192201 0.139141 Ba\n0.750000 0.374314 0.247229 Ba\n0.750000 0.526999 0.573495 Ba\n0.250000 0.545825 0.171932 Ba\n0.250000 0.307799 0.639141 Ba\n0.250000 0.954175 0.671932 Ba\n0.250000 0.026999 0.926505 Ba\n0.750000 0.739797 0.187647 Al\n0.250000 0.239797 0.312353 Al\n0.750000 0.760203 0.687647 Al\n0.250000 0.260203 0.812353 Al\n0.750000 0.288583 0.062366 Ir\n0.250000 0.794708 0.063408 Ir\n0.250000 0.788583 0.437634 Ir\n0.750000 0.205292 0.936592 Ir\n0.750000 0.294708 0.436592 Ir\n0.250000 0.711417 0.937634 Ir\n0.750000 0.211417 0.562366 Ir\n0.250000 0.705292 0.563408 Ir\n0.250000 0.881731 0.531419 O\n0.501620 0.250350 0.365140 O\n0.750000 0.599666 0.228414 O\n0.515274 0.326423 0.513649 O\n0.250000 0.359554 0.253439 O\n0.498380 0.750350 0.134860 O\n0.001620 0.749650 0.634860 O\n0.515480 0.104626 0.600413 O\n0.484726 0.826423 0.986351 O\n0.015274 0.673577 0.486351 O\n0.750000 0.900334 0.728414 O\n0.250000 0.400334 0.771586 O\n0.750000 0.118269 0.468581 O\n0.250000 0.542366 0.599544 O\n0.484726 0.673577 0.486351 O\n0.250000 0.618269 0.031419 O\n0.001620 0.750350 0.134860 O\n0.484520 0.604626 0.899587 O\n0.984520 0.395374 0.100413 O\n0.015480 0.895374 0.399587 O\n0.250000 0.140446 0.753439 O\n0.750000 0.457634 0.400456 O\n0.750000 0.309618 0.649555 O\n0.015480 0.604626 0.899587 O\n0.515274 0.173577 0.013649 O\n0.250000 0.957634 0.099544 O\n0.750000 0.381731 0.968581 O\n0.750000 0.042366 0.900456 O\n0.750000 0.190382 0.149555 O\n0.984726 0.173577 0.013649 O\n0.250000 0.690382 0.350445 O\n0.250000 0.809618 0.850445 O\n0.984520 0.104626 0.600413 O\n0.998380 0.250350 0.365140 O\n0.750000 0.640446 0.746561 O\n0.501620 0.249650 0.865140 O\n0.250000 0.099666 0.271586 O\n0.984726 0.326423 0.513649 O\n0.750000 0.859554 0.246561 O\n0.484520 0.895374 0.399587 O\n0.015274 0.826423 0.986351 O\n0.515480 0.395374 0.100413 O\n0.498380 0.749650 0.634860 O\n0.998380 0.249650 0.865140 O\n",
"nsites": 76,
"nelements": 4,
"elements": [
"Ba",
"Al",
"Ir",
"O"
],
"chemical_system": "Al-Ba-Ir-O",
"density": 6.789286072428465,
"density_atomic": 0.06097393253920709,
"volume": 1246.4342848664212,
"volume_molar": 9.87658251520464,
"formula_full": "Ba20 Al4 Ir8 O44",
"formula_reduced": "Ba5AlIr2O11",
"formula_anonymous": "AB2C5D11",
"energy": -535.84594322,
"energy_per_atom": -7.050604516052632,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -505.61794322,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0005634,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:21.964000Z",
"spacegroup": 62
},
{
"id": "mp-1222170",
"created_at": "2022-09-04T14:41:46.185267Z",
"structure_string": "Mg3 Mn1 Ni3 O8\n1.0\n5.137887 -2.997329 0.000000\n5.137887 2.997329 0.000000\n3.389312 0.000000 4.888193\nMg Mn Ni O\n3 1 3 8\ndirect\n0.500000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Ni\n0.500000 0.000000 0.000000 Ni\n0.000000 0.500000 0.000000 Ni\n0.748890 0.748890 0.748890 O\n0.251110 0.251110 0.251110 O\n0.770507 0.770507 0.230318 O\n0.230318 0.770507 0.770507 O\n0.770507 0.230318 0.770507 O\n0.229493 0.229493 0.769682 O\n0.769682 0.229493 0.229493 O\n0.229493 0.769682 0.229493 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Mg",
"Mn",
"Ni",
"O"
],
"chemical_system": "Mg-Mn-Ni-O",
"density": 4.763910555401016,
"density_atomic": 0.0996308773178471,
"volume": 150.55573536852734,
"volume_molar": 6.044452204097214,
"formula_full": "Mg3 Mn1 Ni3 O8",
"formula_reduced": "Mg3MnNi3O8",
"formula_anonymous": "AB3C3D8",
"energy": -102.48763844,
"energy_per_atom": -6.832509229333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -87.70063844,
"band_gap": 2.0422,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.9995453,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:21.652000Z",
"spacegroup": 166
},
{
"id": "mp-695314",
"created_at": "2022-09-04T14:41:46.195998Z",
"structure_string": "Ca10 Si4 H2 O18 F2\n1.0\n8.871099 0.000000 0.000000\n0.000000 7.145043 0.000000\n0.000000 2.457741 7.051519\nCa Si H O F\n10 4 2 18 2\ndirect\n0.252217 0.948581 0.336499 Ca\n0.563348 0.186795 0.115213 Ca\n0.859607 0.923550 0.289306 Ca\n0.394700 0.600915 0.248254 Ca\n0.563388 0.612699 0.657899 Ca\n0.752217 0.051419 0.663501 Ca\n0.063348 0.813205 0.884787 Ca\n0.359607 0.076450 0.710694 Ca\n0.894700 0.399085 0.751746 Ca\n0.063388 0.387301 0.342101 Ca\n0.759675 0.459782 0.330821 Si\n0.731785 0.634345 0.965541 Si\n0.259675 0.540218 0.669179 Si\n0.231785 0.365655 0.034459 Si\n0.596245 0.768802 0.882048 H\n0.096245 0.231198 0.117952 H\n0.374357 0.399360 0.868706 O\n0.238802 0.006629 0.001911 O\n0.784767 0.227080 0.336843 O\n0.116023 0.458298 0.817986 O\n0.551744 0.948451 0.528543 O\n0.899389 0.061287 0.970587 O\n0.698704 0.428665 0.912742 O\n0.048721 0.133798 0.632089 O\n0.339187 0.260281 0.235873 O\n0.874357 0.600640 0.131294 O\n0.738802 0.993371 0.998089 O\n0.284767 0.772920 0.663157 O\n0.616023 0.541702 0.182014 O\n0.051744 0.051549 0.471457 O\n0.399389 0.938713 0.029413 O\n0.198704 0.571335 0.087258 O\n0.548721 0.866202 0.367911 O\n0.839187 0.739719 0.764127 O\n0.058341 0.707242 0.383685 F\n0.558341 0.292758 0.616315 F\n",
"nsites": 36,
"nelements": 5,
"elements": [
"Ca",
"Si",
"H",
"O",
"F"
],
"chemical_system": "Ca-F-H-O-Si",
"density": 3.124957466987506,
"density_atomic": 0.08054480744820618,
"volume": 446.95618675542266,
"volume_molar": 7.476758528316675,
"formula_full": "Ca10 Si4 H2 O18 F2",
"formula_reduced": "Ca5Si2HO9F",
"formula_anonymous": "ABC2D5E9",
"energy": -229.97523815,
"energy_per_atom": -6.388201059722222,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -220.32323815,
"band_gap": 2.9067000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001523,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:23.342000Z",
"spacegroup": 4
},
{
"id": "mp-22307",
"created_at": "2022-09-04T14:41:46.197805Z",
"structure_string": "Sc4 Si8 Rh4\n1.0\n4.043635 0.000000 0.000000\n0.000000 6.346391 0.000000\n0.000000 0.000000 9.581783\nSc Si Rh\n4 8 4\ndirect\n0.250000 0.240025 0.682175 Sc\n0.250000 0.740025 0.817825 Sc\n0.750000 0.759975 0.317825 Sc\n0.750000 0.259975 0.182175 Sc\n0.250000 0.231397 0.971458 Si\n0.750000 0.768603 0.028542 Si\n0.250000 0.731397 0.528542 Si\n0.750000 0.268603 0.471458 Si\n0.250000 0.956570 0.158481 Si\n0.750000 0.543430 0.658481 Si\n0.250000 0.456570 0.341519 Si\n0.750000 0.043430 0.841519 Si\n0.750000 0.916039 0.599657 Rh\n0.250000 0.083961 0.400343 Rh\n0.750000 0.416039 0.900343 Rh\n0.250000 0.583961 0.099657 Rh\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Sc",
"Si",
"Rh"
],
"chemical_system": "Rh-Sc-Si",
"density": 5.511415445840606,
"density_atomic": 0.06506911188828217,
"volume": 245.89239864638947,
"volume_molar": 9.254991477891192,
"formula_full": "Sc4 Si8 Rh4",
"formula_reduced": "ScSi2Rh",
"formula_anonymous": "ABC2",
"energy": -112.83613488,
"energy_per_atom": -7.05225843,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -112.83613488,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.39e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:25.303000Z",
"spacegroup": 62
},
{
"id": "mp-863384",
"created_at": "2022-09-04T14:41:36.068085Z",
"structure_string": "Li8 V4 F20\n1.0\n6.165335 0.000000 0.000000\n0.000000 6.324205 0.000000\n0.000000 0.000000 9.123662\nLi V F\n8 4 20\ndirect\n0.048379 0.472392 0.668759 Li\n0.048379 0.027608 0.668759 Li\n0.548379 0.527608 0.831241 Li\n0.548379 0.972392 0.831241 Li\n0.451621 0.472392 0.168759 Li\n0.451621 0.027608 0.168759 Li\n0.951621 0.527608 0.331241 Li\n0.951621 0.972392 0.331241 Li\n0.564404 0.250000 0.516302 V\n0.064404 0.750000 0.983698 V\n0.935596 0.250000 0.016302 V\n0.435596 0.750000 0.483698 V\n0.891894 0.250000 0.550822 F\n0.326478 0.035521 0.565726 F\n0.326478 0.464479 0.565726 F\n0.578455 0.750000 0.681277 F\n0.583553 0.250000 0.737027 F\n0.083553 0.750000 0.762973 F\n0.078455 0.250000 0.818723 F\n0.826478 0.964479 0.934274 F\n0.826478 0.535521 0.934274 F\n0.391894 0.750000 0.949178 F\n0.608106 0.250000 0.050822 F\n0.173522 0.035521 0.065726 F\n0.173522 0.464479 0.065726 F\n0.921545 0.750000 0.181277 F\n0.916447 0.250000 0.237027 F\n0.416447 0.750000 0.262973 F\n0.421545 0.250000 0.318723 F\n0.673522 0.964479 0.434274 F\n0.673522 0.535521 0.434274 F\n0.108106 0.750000 0.449178 F\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Li",
"V",
"F"
],
"chemical_system": "F-Li-V",
"density": 2.9839821694308353,
"density_atomic": 0.08995352193889707,
"volume": 355.73926746010807,
"volume_molar": 6.694724820325183,
"formula_full": "Li8 V4 F20",
"formula_reduced": "Li2VF5",
"formula_anonymous": "AB2C5",
"energy": -190.57470283,
"energy_per_atom": -5.9554594634375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -174.53470283,
"band_gap": 3.0374,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0004137,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.297000Z",
"spacegroup": 62
}
]
}