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=1737",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_above_hull&page=1735",
"results": [
{
"id": "mp-1221873",
"created_at": "2022-09-04T14:45:09.048146Z",
"structure_string": "Mn3 V2 Ga2 Co1\n1.0\n-2.889703 -2.889703 0.000000\n0.000000 2.889703 -2.889703\n2.893380 -2.893380 -5.783083\nMn V Ga Co\n3 2 2 1\ndirect\n0.500137 0.000274 0.499588 Mn\n0.249389 0.498779 0.251832 Mn\n0.750401 0.500802 0.748797 Mn\n0.874052 0.748103 0.377845 V\n0.376060 0.752119 0.871821 V\n0.625665 0.251330 0.123005 Ga\n0.124305 0.248610 0.627085 Ga\n0.999991 0.999982 0.000027 Co\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Mn",
"V",
"Ga",
"Co"
],
"chemical_system": "Co-Ga-Mn-V",
"density": 7.993545490396881,
"density_atomic": 0.08280491270113668,
"volume": 96.6126252541799,
"volume_molar": 7.272685355922527,
"formula_full": "Mn3 V2 Ga2 Co1",
"formula_reduced": "Mn3V2Ga2Co",
"formula_anonymous": "AB2C2D3",
"energy": -60.88534607,
"energy_per_atom": -7.61066825875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -60.88534607,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9800406,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:50.946000Z",
"spacegroup": 160
},
{
"id": "mp-1216805",
"created_at": "2022-09-04T14:45:17.214774Z",
"structure_string": "U2 Si2 Pt2\n1.0\n-4.304080 0.000000 0.000000\n-2.152040 -3.511830 3.849935\n2.152040 3.396946 3.718887\nU Si Pt\n2 2 2\ndirect\n0.768725 0.677064 0.214514 U\n0.231275 0.322936 0.785486 U\n0.063482 0.089057 0.216022 Si\n0.936518 0.910943 0.783978 Si\n0.549613 0.271061 0.370287 Pt\n0.450387 0.728939 0.629713 Pt\n",
"nsites": 6,
"nelements": 3,
"elements": [
"U",
"Si",
"Pt"
],
"chemical_system": "Pt-Si-U",
"density": 13.614829538123107,
"density_atomic": 0.053333067603366584,
"volume": 112.5005605269414,
"volume_molar": 11.291570184535681,
"formula_full": "U2 Si2 Pt2",
"formula_reduced": "USiPt",
"formula_anonymous": "ABC",
"energy": -49.453274320000006,
"energy_per_atom": -8.242212386666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.59527432,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0230022,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:00.287000Z",
"spacegroup": 12
},
{
"id": "mp-1229163",
"created_at": "2022-09-04T14:45:09.018075Z",
"structure_string": "Ba4 Nb25 O40\n1.0\n4.152923 0.000000 0.000000\n0.000000 6.703953 0.000000\n0.000000 0.059055 33.539922\nBa Nb O\n4 25 40\ndirect\n0.000000 0.000618 0.801166 Ba\n0.000000 0.000192 0.600103 Ba\n0.000000 0.999808 0.399897 Ba\n0.000000 0.999382 0.198834 Ba\n0.000000 0.500061 0.699945 Nb\n0.000000 0.500000 0.500000 Nb\n0.000000 0.499939 0.300055 Nb\n0.000000 0.498731 0.099615 Nb\n0.000000 0.501269 0.900385 Nb\n0.500000 0.211250 0.719690 Nb\n0.500000 0.211494 0.519407 Nb\n0.500000 0.211102 0.319399 Nb\n0.500000 0.208759 0.119959 Nb\n0.500000 0.204673 0.923762 Nb\n0.500000 0.788898 0.680601 Nb\n0.500000 0.788506 0.480593 Nb\n0.500000 0.788750 0.280310 Nb\n0.500000 0.795327 0.076238 Nb\n0.500000 0.791241 0.880041 Nb\n0.500000 0.596859 0.758195 Nb\n0.500000 0.597582 0.557804 Nb\n0.500000 0.597213 0.357756 Nb\n0.500000 0.601245 0.157086 Nb\n0.500000 0.616857 0.960120 Nb\n0.500000 0.402787 0.642244 Nb\n0.500000 0.402418 0.442196 Nb\n0.500000 0.403141 0.241805 Nb\n0.500000 0.383143 0.039880 Nb\n0.500000 0.398755 0.842914 Nb\n0.500000 0.299199 0.780067 O\n0.500000 0.299869 0.579949 O\n0.500000 0.299707 0.380053 O\n0.500000 0.302825 0.180401 O\n0.500000 0.309081 0.978990 O\n0.500000 0.700293 0.619947 O\n0.500000 0.700131 0.420051 O\n0.500000 0.700801 0.219933 O\n0.500000 0.690919 0.021010 O\n0.500000 0.697175 0.819599 O\n0.500000 0.899616 0.739903 O\n0.500000 0.900270 0.540014 O\n0.500000 0.899744 0.340024 O\n0.500000 0.898550 0.139568 O\n0.500000 0.900215 0.938176 O\n0.500000 0.100256 0.659976 O\n0.500000 0.099730 0.459986 O\n0.500000 0.100384 0.260097 O\n0.500000 0.099785 0.061824 O\n0.500000 0.101450 0.860432 O\n0.000000 0.203725 0.722044 O\n0.000000 0.203712 0.522163 O\n0.000000 0.203692 0.322247 O\n0.000000 0.204760 0.123131 O\n0.000000 0.205060 0.920960 O\n0.000000 0.796308 0.677753 O\n0.000000 0.796288 0.477837 O\n0.000000 0.796275 0.277956 O\n0.000000 0.794940 0.079040 O\n0.000000 0.795240 0.876869 O\n0.000000 0.610700 0.759191 O\n0.000000 0.610631 0.559288 O\n0.000000 0.610543 0.359356 O\n0.000000 0.611236 0.159060 O\n0.000000 0.607987 0.959124 O\n0.000000 0.389457 0.640644 O\n0.000000 0.389369 0.440712 O\n0.000000 0.389300 0.240809 O\n0.000000 0.392013 0.040876 O\n0.000000 0.388764 0.840940 O\n",
"nsites": 69,
"nelements": 3,
"elements": [
"Ba",
"Nb",
"O"
],
"chemical_system": "Ba-Nb-O",
"density": 6.24524858734365,
"density_atomic": 0.07389281348104976,
"volume": 933.7849886808742,
"volume_molar": 8.149832813639465,
"formula_full": "Ba4 Nb25 O40",
"formula_reduced": "Ba4Nb25O40",
"formula_anonymous": "A4B25C40",
"energy": -649.68306753,
"energy_per_atom": -9.415696630869565,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -622.20306753,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014159,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:47.561000Z",
"spacegroup": 10
},
{
"id": "mp-1223210",
"created_at": "2022-09-04T14:45:09.027343Z",
"structure_string": "K1 Ti1 O2 F1\n1.0\n3.875514 0.000000 0.000000\n0.000000 3.875514 0.000000\n0.000000 0.000000 4.184804\nK Ti O F\n1 1 2 1\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Ti\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.000000 F\n",
"nsites": 5,
"nelements": 4,
"elements": [
"K",
"Ti",
"O",
"F"
],
"chemical_system": "F-K-O-Ti",
"density": 3.6448228141022456,
"density_atomic": 0.07954928161729803,
"volume": 62.85411883484247,
"volume_molar": 7.57032701938377,
"formula_full": "K1 Ti1 O2 F1",
"formula_reduced": "KTiO2F",
"formula_anonymous": "ABCD2",
"energy": -36.54792937,
"energy_per_atom": -7.309585874,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.71192937,
"band_gap": 0.8895,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002279,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:47.599000Z",
"spacegroup": 123
},
{
"id": "mp-1183259",
"created_at": "2022-09-04T14:45:09.041089Z",
"structure_string": "Ac2 Nd6\n1.0\n3.754035 -6.502180 0.000000\n3.754035 6.502180 0.000000\n0.000000 0.000000 6.183281\nAc Nd\n2 6\ndirect\n0.333333 0.666667 0.750000 Ac\n0.666667 0.333333 0.250000 Ac\n0.162973 0.325946 0.250000 Nd\n0.674054 0.837027 0.250000 Nd\n0.162973 0.837027 0.250000 Nd\n0.837027 0.674054 0.750000 Nd\n0.325946 0.162973 0.750000 Nd\n0.837027 0.162973 0.750000 Nd\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ac",
"Nd"
],
"chemical_system": "Ac-Nd",
"density": 7.258324973686529,
"density_atomic": 0.026502308345263965,
"volume": 301.86049817919434,
"volume_molar": 22.723080123985397,
"formula_full": "Ac2 Nd6",
"formula_reduced": "AcNd3",
"formula_anonymous": "AB3",
"energy": -36.45820624,
"energy_per_atom": -4.55727578,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.45820624,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2914232,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:47.630000Z",
"spacegroup": 194
},
{
"id": "mp-865532",
"created_at": "2022-09-04T14:45:09.044638Z",
"structure_string": "Ba2 Mg2 Te4 O14\n1.0\n3.698029 -7.734084 0.000000\n3.698029 7.734084 0.000000\n0.000000 0.000000 5.656394\nBa Mg Te O\n2 2 4 14\ndirect\n0.336036 0.920307 0.750000 Ba\n0.920307 0.336036 0.250000 Ba\n0.760547 0.525641 0.750000 Mg\n0.525641 0.760547 0.250000 Mg\n0.447499 0.299809 0.250000 Te\n0.967684 0.811336 0.250000 Te\n0.811336 0.967684 0.750000 Te\n0.299809 0.447499 0.750000 Te\n0.005482 0.005482 0.500000 O\n0.005482 0.005482 0.000000 O\n0.677345 0.648341 0.250000 O\n0.267932 0.993929 0.250000 O\n0.582984 0.295443 0.993192 O\n0.582984 0.295443 0.506808 O\n0.975172 0.662092 0.493403 O\n0.975172 0.662092 0.006597 O\n0.662092 0.975172 0.993403 O\n0.662092 0.975172 0.506597 O\n0.295443 0.582984 0.493192 O\n0.295443 0.582984 0.006808 O\n0.993929 0.267932 0.750000 O\n0.648341 0.677345 0.750000 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Ba",
"Mg",
"Te",
"O"
],
"chemical_system": "Ba-Mg-O-Te",
"density": 5.42805856646193,
"density_atomic": 0.06799450790457578,
"volume": 323.5555440871053,
"volume_molar": 8.856804682595156,
"formula_full": "Ba2 Mg2 Te4 O14",
"formula_reduced": "BaMgTe2O7",
"formula_anonymous": "ABC2D7",
"energy": -137.94640278,
"energy_per_atom": -6.270291035454545,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -128.32840278,
"band_gap": 1.8494,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000822,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:53.121000Z",
"spacegroup": 40
},
{
"id": "mp-556012",
"created_at": "2022-09-04T14:45:09.077632Z",
"structure_string": "Na4 C4 S4 N4\n1.0\n4.116973 0.000000 0.000000\n0.000000 5.793665 0.000000\n0.000000 0.000000 14.350436\nNa C S N\n4 4 4 4\ndirect\n0.750000 0.653692 0.621688 Na\n0.250000 0.153692 0.878312 Na\n0.750000 0.846308 0.121688 Na\n0.250000 0.346308 0.378312 Na\n0.750000 0.559194 0.873619 C\n0.250000 0.059194 0.626381 C\n0.250000 0.440806 0.126381 C\n0.750000 0.940806 0.373619 C\n0.250000 0.188640 0.177525 S\n0.750000 0.688640 0.322475 S\n0.250000 0.311360 0.677525 S\n0.750000 0.811360 0.822475 S\n0.750000 0.126426 0.408875 N\n0.250000 0.873574 0.591125 N\n0.750000 0.373574 0.908875 N\n0.250000 0.626426 0.091125 N\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Na",
"C",
"S",
"N"
],
"chemical_system": "C-N-Na-S",
"density": 1.5732016298505267,
"density_atomic": 0.0467437432412827,
"volume": 342.29179972624166,
"volume_molar": 12.883308743407229,
"formula_full": "Na4 C4 S4 N4",
"formula_reduced": "NaCSN",
"formula_anonymous": "ABCD",
"energy": -100.42582989,
"energy_per_atom": -6.276614368125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -96.96982989,
"band_gap": 4.0388,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0019895,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:48.679000Z",
"spacegroup": 62
},
{
"id": "mp-1190186",
"created_at": "2022-09-04T14:45:09.101461Z",
"structure_string": "Zr8 O16\n1.0\n5.163611 0.000000 0.000000\n0.000000 5.335058 0.000000\n0.000000 0.000000 10.213953\nZr O\n8 16\ndirect\n0.752307 0.965113 0.384480 Zr\n0.247693 0.534887 0.884480 Zr\n0.747693 0.465113 0.615520 Zr\n0.252307 0.034887 0.115520 Zr\n0.247693 0.034887 0.615520 Zr\n0.752307 0.465113 0.115520 Zr\n0.252307 0.534887 0.384480 Zr\n0.747693 0.965113 0.884480 Zr\n0.998394 0.261156 0.478302 O\n0.001606 0.238844 0.978302 O\n0.501606 0.761156 0.521698 O\n0.498394 0.738844 0.021698 O\n0.001606 0.738844 0.521698 O\n0.998394 0.761156 0.021698 O\n0.498394 0.238844 0.478302 O\n0.501606 0.261156 0.978302 O\n0.625114 0.627742 0.288788 O\n0.374886 0.872258 0.788788 O\n0.874886 0.127742 0.711212 O\n0.125114 0.372258 0.211212 O\n0.374886 0.372258 0.711212 O\n0.625114 0.127742 0.211212 O\n0.125114 0.872258 0.288788 O\n0.874886 0.627742 0.788788 O\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Zr",
"O"
],
"chemical_system": "O-Zr",
"density": 5.817597089276029,
"density_atomic": 0.08529522596961034,
"volume": 281.37565411399356,
"volume_molar": 7.06034914796476,
"formula_full": "Zr8 O16",
"formula_reduced": "ZrO2",
"formula_anonymous": "AB2",
"energy": -238.60971592,
"energy_per_atom": -9.942071496666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -227.61771592,
"band_gap": 3.5794,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.2e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:47.434000Z",
"spacegroup": 61
},
{
"id": "mp-22299",
"created_at": "2022-09-04T14:45:09.128083Z",
"structure_string": "Tb4 Ni4 Sn4\n1.0\n4.473863 0.000000 0.000000\n0.000000 7.181522 0.000000\n0.000000 0.000000 7.689106\nTb Ni Sn\n4 4 4\ndirect\n0.250000 0.012180 0.297309 Tb\n0.250000 0.512180 0.202691 Tb\n0.750000 0.987820 0.702691 Tb\n0.750000 0.487820 0.797309 Tb\n0.250000 0.301084 0.585059 Ni\n0.250000 0.801084 0.914941 Ni\n0.750000 0.698916 0.414941 Ni\n0.750000 0.198916 0.085059 Ni\n0.250000 0.190755 0.913157 Sn\n0.250000 0.690755 0.586843 Sn\n0.750000 0.809245 0.086843 Sn\n0.750000 0.309245 0.413157 Sn\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Tb",
"Ni",
"Sn"
],
"chemical_system": "Ni-Sn-Tb",
"density": 9.042698644714715,
"density_atomic": 0.04857426322390121,
"volume": 247.04440589631713,
"volume_molar": 12.397801552318297,
"formula_full": "Tb4 Ni4 Sn4",
"formula_reduced": "TbNiSn",
"formula_anonymous": "ABC",
"energy": -65.74124109,
"energy_per_atom": -5.4784367575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -65.74124109,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.63e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:47.970000Z",
"spacegroup": 62
},
{
"id": "mp-1100705",
"created_at": "2022-09-04T14:45:09.131553Z",
"structure_string": "Gd6 Nb2 O14\n1.0\n3.801344 -7.323125 0.000000\n3.801344 7.323125 0.000000\n0.000000 0.000000 5.432990\nGd Nb O\n6 2 14\ndirect\n0.000000 0.500000 0.000000 Gd\n0.500000 0.000000 0.000000 Gd\n0.618727 0.381273 0.471058 Gd\n0.118727 0.881273 0.528942 Gd\n0.881273 0.118727 0.471058 Gd\n0.381273 0.618727 0.528942 Gd\n0.750000 0.750000 0.000000 Nb\n0.250000 0.250000 0.000000 Nb\n0.750000 0.250000 0.240377 O\n0.839027 0.602699 0.764457 O\n0.989122 0.010878 0.211400 O\n0.250000 0.750000 0.759623 O\n0.397301 0.160973 0.764457 O\n0.102699 0.339027 0.764457 O\n0.339027 0.102699 0.235543 O\n0.510878 0.489122 0.211400 O\n0.489122 0.510878 0.788600 O\n0.660973 0.897301 0.764457 O\n0.602699 0.839027 0.235543 O\n0.897301 0.660973 0.235543 O\n0.010878 0.989122 0.788600 O\n0.160973 0.397301 0.235543 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Gd",
"Nb",
"O"
],
"chemical_system": "Gd-Nb-O",
"density": 7.429200124013733,
"density_atomic": 0.07273110061675905,
"volume": 302.4840792101344,
"volume_molar": 8.280007739374632,
"formula_full": "Gd6 Nb2 O14",
"formula_reduced": "Gd3NbO7",
"formula_anonymous": "AB3C7",
"energy": -249.64162184,
"energy_per_atom": -11.347346447272727,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -240.02362184,
"band_gap": 1.6602,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:51.609000Z",
"spacegroup": 67
},
{
"id": "mp-1181604",
"created_at": "2022-09-04T14:45:09.156456Z",
"structure_string": "Fe4 H4 O8\n1.0\n3.093287 0.000000 0.000000\n-1.495874 -7.255148 0.000000\n-1.524530 0.192742 -7.728200\nFe H O\n4 4 8\ndirect\n0.822200 0.472128 0.193162 Fe\n0.159274 0.498520 0.849129 Fe\n0.369699 0.223721 0.526803 Fe\n0.636252 0.816850 0.463450 Fe\n0.796287 0.763355 0.032366 H\n0.135567 0.020412 0.243214 H\n0.903297 0.052828 0.759970 H\n0.053550 0.571786 0.533540 H\n0.774376 0.657416 0.957774 O\n0.195532 0.355488 0.059868 O\n0.168401 0.980772 0.362472 O\n0.840234 0.053295 0.634295 O\n0.859143 0.325702 0.404978 O\n0.139052 0.695067 0.592480 O\n0.547898 0.389318 0.727939 O\n0.452328 0.639899 0.280542 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Fe",
"H",
"O"
],
"chemical_system": "Fe-H-O",
"density": 3.402751080441114,
"density_atomic": 0.0922518612904599,
"volume": 173.43823502512484,
"volume_molar": 6.5279341530454,
"formula_full": "Fe4 H4 O8",
"formula_reduced": "FeHO2",
"formula_anonymous": "ABC2",
"energy": -109.89237184,
"energy_per_atom": -6.86827324,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -95.37237184,
"band_gap": 1.4013000000000002,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 19.9978657,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:49.020000Z",
"spacegroup": 1
},
{
"id": "mp-643791",
"created_at": "2022-09-04T14:45:09.048719Z",
"structure_string": "Rb2 P2 H4 O8\n1.0\n6.216913 0.000000 0.000000\n0.000000 4.901692 0.000000\n0.000000 2.349572 7.171171\nRb P H O\n2 2 4 8\ndirect\n0.750000 0.209162 0.742817 Rb\n0.250000 0.790838 0.257183 Rb\n0.250000 0.703688 0.752483 P\n0.750000 0.296312 0.247517 P\n0.250000 0.178660 0.618796 H\n0.750000 0.821340 0.381204 H\n0.000000 0.500000 0.000000 H\n0.500000 0.500000 0.000000 H\n0.250000 0.994676 0.582945 O\n0.750000 0.005324 0.417055 O\n0.250000 0.462335 0.666181 O\n0.750000 0.537665 0.333819 O\n0.044768 0.709314 0.870258 O\n0.544768 0.290686 0.129742 O\n0.955232 0.290686 0.129742 O\n0.455232 0.709314 0.870258 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Rb",
"P",
"H",
"O"
],
"chemical_system": "H-O-P-Rb",
"density": 2.7728353063394087,
"density_atomic": 0.07321652212754637,
"volume": 218.52991012229867,
"volume_molar": 8.225111743916447,
"formula_full": "Rb2 P2 H4 O8",
"formula_reduced": "RbP(HO2)2",
"formula_anonymous": "ABC2D4",
"energy": -100.75268761,
"energy_per_atom": -6.297042975625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -95.25668761,
"band_gap": 5.0951,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003642,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:56.362000Z",
"spacegroup": 11
}
]
}