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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=40",
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"results": [
{
"id": "jvasp-21477",
"created_at": "2022-09-04T14:37:36.952330Z",
"updated_at": "2022-09-04T14:37:36.952340Z",
"structure_string": "K4 Be4 P4 O16\n1.0\n4.970129 0.000000 0.000000\n0.000000 8.302066 0.000000\n0.000000 0.000000 8.558773\nK Be P O\n4 4 4 16\ndirect\n0.253036 0.498209 0.286005 K\n0.753036 0.501792 0.713994 K\n0.753036 0.001791 0.786005 K\n0.253036 0.998209 0.213994 K\n0.740744 0.814016 0.412250 Be\n0.240744 0.185985 0.587749 Be\n0.240744 0.685985 0.912250 Be\n0.740744 0.314015 0.087750 Be\n0.739475 0.192740 0.419129 P\n0.239475 0.807261 0.580871 P\n0.239475 0.307260 0.919129 P\n0.739475 0.692740 0.080871 P\n0.241846 0.991212 0.587785 O\n0.741846 0.008789 0.412214 O\n0.043035 0.247507 0.048074 O\n0.543035 0.752494 0.951926 O\n0.543035 0.252494 0.548074 O\n0.043035 0.747507 0.451926 O\n0.025492 0.756555 0.043295 O\n0.141469 0.241799 0.760616 O\n0.525493 0.743445 0.543294 O\n0.025492 0.256555 0.456705 O\n0.641469 0.258202 0.260617 O\n0.141469 0.741799 0.739383 O\n0.241846 0.491211 0.912214 O\n0.641469 0.758202 0.239383 O\n0.525493 0.243445 0.956705 O\n0.741846 0.508789 0.087785 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"K",
"Be",
"P",
"O"
],
"chemical_system": "Be-K-O-P",
"density": 2.691090274851956,
"density_atomic": 0.07928530126462613,
"volume": 353.15499283462344,
"volume_molar": 7.595532417667477,
"formula_full": "K4 Be4 P4 O16",
"formula_reduced": "KBePO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.8252605142857143,
"spacegroup": 33
},
{
"id": "jvasp-108735",
"created_at": "2022-09-04T14:38:18.442582Z",
"updated_at": "2022-09-04T14:38:18.442603Z",
"structure_string": "Sr1 Nd1 Mn1 O4\n1.0\n3.662219 -0.030967 -5.765486\n-0.335652 3.646936 -5.765486\n0.028488 0.030967 6.830217\nSr Nd Mn O\n1 1 1 4\ndirect\n0.643009 0.643008 -0.000000 Sr\n0.360150 0.360150 -0.000000 Nd\n0.002558 0.002558 -0.000000 Mn\n0.835063 0.835062 -0.000000 O\n0.173417 0.173417 -0.000000 O\n0.992903 0.492902 0.500000 O\n0.492903 0.992903 0.500001 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Sr",
"Nd",
"Mn",
"O"
],
"chemical_system": "Mn-Nd-O-Sr",
"density": 6.29945459334434,
"density_atomic": 0.07569988561303106,
"volume": 92.4704171388472,
"volume_molar": 7.955283830657918,
"formula_full": "Sr1 Nd1 Mn1 O4",
"formula_reduced": "SrNdMnO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.0243255787684733,
"spacegroup": 107
},
{
"id": "jvasp-29884",
"created_at": "2022-09-04T14:37:30.589471Z",
"updated_at": "2022-09-04T14:37:30.589504Z",
"structure_string": "Cd2 In2 Ga2 S8\n1.0\n3.897464 0.000000 -0.000000\n-1.948732 3.375303 -0.000000\n-0.000000 -0.000000 25.214967\nCd In Ga S\n2 2 2 8\ndirect\n0.000000 -0.000000 0.242096 Cd\n0.000000 -0.000000 0.757904 Cd\n0.666666 0.333333 0.394228 In\n0.333333 0.666666 0.605772 In\n0.666666 0.333333 0.902262 Ga\n0.333333 0.666666 0.097738 Ga\n0.666666 0.333333 0.559786 S\n0.333333 0.666666 0.700943 S\n0.666666 0.333333 0.060798 S\n0.333333 0.666666 0.440214 S\n0.666666 0.333333 0.814546 S\n0.666666 0.333333 0.299057 S\n0.333333 0.666666 0.185454 S\n0.333333 0.666666 0.939202 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Cd",
"In",
"Ga",
"S"
],
"chemical_system": "Cd-Ga-In-S",
"density": 4.257271265925651,
"density_atomic": 0.04220605434004049,
"volume": 331.70596538606856,
"volume_molar": 14.268428674904232,
"formula_full": "Cd2 In2 Ga2 S8",
"formula_reduced": "CdInGaS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 0.684930292142857,
"spacegroup": 164
},
{
"id": "jvasp-85971",
"created_at": "2022-09-04T14:35:41.678335Z",
"updated_at": "2022-09-04T14:35:41.678353Z",
"structure_string": "Re2 Pb2 Cl2 O8\n1.0\n4.443643 0.000000 0.000000\n0.000000 5.754104 0.000000\n0.000000 0.000000 9.458390\nRe Pb Cl O\n2 2 2 8\ndirect\n0.245928 0.000000 0.130013 Re\n0.745928 0.500000 0.869987 Re\n0.710351 0.500000 0.324173 Pb\n0.210351 0.000000 0.675827 Pb\n0.666544 0.000000 0.460676 Cl\n0.166544 0.500000 0.539324 Cl\n0.640071 0.245313 0.778044 O\n0.140071 0.745312 0.221956 O\n0.629001 0.500000 0.047386 O\n0.637343 0.000000 0.127650 O\n0.640071 0.754687 0.778044 O\n0.140071 0.254687 0.221956 O\n0.129001 0.000000 0.952614 O\n0.137344 0.500000 0.872350 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Re",
"Pb",
"Cl",
"O"
],
"chemical_system": "Cl-O-Pb-Re",
"density": 6.768095308720218,
"density_atomic": 0.057888720490879786,
"volume": 241.8433138836721,
"volume_molar": 10.402960557659542,
"formula_full": "Re2 Pb2 Cl2 O8",
"formula_reduced": "RePbClO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.530746698214286,
"spacegroup": 31
},
{
"id": "jvasp-120590",
"created_at": "2022-09-04T14:38:47.142012Z",
"updated_at": "2022-09-04T14:38:47.142022Z",
"structure_string": "Li4 V4 Si4 O16\n1.0\n8.975454 -0.017782 -2.244015\n0.547678 5.231879 -1.621397\n0.023403 -0.092352 6.353952\nLi V Si O\n4 4 4 16\ndirect\n0.140800 0.179716 0.373687 Li\n0.217165 0.683761 0.430604 Li\n0.782834 0.316238 0.569396 Li\n0.859202 0.820280 0.626313 Li\n0.208896 0.703690 0.927379 V\n0.424938 0.203020 0.158963 V\n0.575060 0.796982 0.841034 V\n0.791103 0.296312 0.072624 V\n0.906874 0.839357 0.175082 Si\n0.537616 0.676158 0.296795 Si\n0.462383 0.323843 0.703205 Si\n0.093125 0.160642 0.824918 Si\n0.920783 0.252639 0.855361 O\n0.790463 0.885138 0.941371 O\n0.554607 0.871832 0.157887 O\n0.616782 0.373894 0.225075 O\n0.615215 0.792583 0.556135 O\n0.638396 0.398736 0.779167 O\n0.361603 0.601266 0.220833 O\n0.094423 0.855226 0.670352 O\n0.383217 0.626109 0.774923 O\n0.445391 0.128169 0.842113 O\n0.209537 0.114862 0.058630 O\n0.079218 0.747363 0.144640 O\n0.905576 0.144775 0.329648 O\n0.151502 0.358831 0.726368 O\n0.384783 0.207419 0.443864 O\n0.848498 0.641171 0.273634 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"V",
"Si",
"O"
],
"chemical_system": "Li-O-Si-V",
"density": 3.3484566477598072,
"density_atomic": 0.09412434643661677,
"volume": 297.4788251927483,
"volume_molar": 6.398069137250587,
"formula_full": "Li4 V4 Si4 O16",
"formula_reduced": "LiVSiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.5407781142857147,
"spacegroup": 2
},
{
"id": "jvasp-47067",
"created_at": "2022-09-04T14:38:06.576860Z",
"updated_at": "2022-09-04T14:38:06.576878Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n4.385341 0.000000 0.000000\n-0.000000 4.807796 0.000000\n0.000000 0.000000 14.252796\nLi Mn P O\n4 4 4 16\ndirect\n0.000000 0.250000 0.248329 Li\n0.000000 0.750001 0.751671 Li\n0.500000 0.750001 0.251671 Li\n0.500000 0.250000 0.748329 Li\n0.000000 0.750001 0.073779 Mn\n0.000000 0.250000 0.926221 Mn\n0.500000 0.750001 0.573779 Mn\n0.500000 0.250000 0.426221 Mn\n0.500000 0.250000 0.114544 P\n0.500000 0.750001 0.885456 P\n0.000000 0.250000 0.614544 P\n0.000000 0.750001 0.385456 P\n0.265652 0.588817 0.945867 O\n0.265652 0.088816 0.054133 O\n0.234348 0.588817 0.445867 O\n0.234348 0.088816 0.554133 O\n0.315600 0.961543 0.824572 O\n0.315600 0.461543 0.175429 O\n0.684399 0.538458 0.824572 O\n0.815600 0.038458 0.675429 O\n0.765652 0.411184 0.554133 O\n0.765652 0.911185 0.445867 O\n0.734347 0.911185 0.945867 O\n0.734347 0.411184 0.054133 O\n0.184399 0.961543 0.324571 O\n0.815600 0.538458 0.324571 O\n0.684399 0.038458 0.175429 O\n0.184399 0.461543 0.675429 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 3.466931560371167,
"density_atomic": 0.0931769651598016,
"volume": 300.50345546218495,
"volume_molar": 6.463121813070244,
"formula_full": "Li4 Mn4 P4 O16",
"formula_reduced": "LiMnPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.5494038201970444,
"spacegroup": 60
},
{
"id": "jvasp-117267",
"created_at": "2022-09-04T14:38:46.707863Z",
"updated_at": "2022-09-04T14:38:46.707899Z",
"structure_string": "Tm2 Mo2 Cl2 O8\n1.0\n6.017389 0.016401 1.525114\n1.749903 5.757350 1.525114\n0.006014 0.004470 6.786866\nTm Mo Cl O\n2 2 2 8\ndirect\n0.778221 0.778221 0.108790 Tm\n0.221778 0.221779 0.891210 Tm\n0.362585 0.362585 0.269764 Mo\n0.637414 0.637415 0.730236 Mo\n0.991120 0.991121 0.762584 Cl\n0.008879 0.008879 0.237416 Cl\n0.705006 0.705007 0.461232 O\n0.294993 0.294993 0.538767 O\n0.509009 0.893521 0.845490 O\n0.455652 0.455652 0.801317 O\n0.106479 0.490991 0.154509 O\n0.893520 0.509009 0.845490 O\n0.544348 0.544348 0.198683 O\n0.490991 0.106479 0.154509 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Tm",
"Mo",
"Cl",
"O"
],
"chemical_system": "Cl-Mo-O-Tm",
"density": 5.152036407527575,
"density_atomic": 0.05961274479289089,
"volume": 234.84910900579047,
"volume_molar": 10.10210279852467,
"formula_full": "Tm2 Mo2 Cl2 O8",
"formula_reduced": "TmMoClO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.397371173928572,
"spacegroup": 12
},
{
"id": "jvasp-48187",
"created_at": "2022-09-04T14:35:44.370348Z",
"updated_at": "2022-09-04T14:35:44.370369Z",
"structure_string": "Li2 Co2 Ge2 O8\n1.0\n0.000000 5.104912 0.023753\n5.370714 0.000000 0.000000\n0.000000 -5.117188 -6.597528\nLi Co Ge O\n2 2 2 8\ndirect\n0.503199 0.833555 0.003092 Li\n0.503199 0.166444 0.503093 Li\n0.995808 0.163887 0.999490 Co\n0.995808 0.836112 0.499490 Co\n0.749530 0.671476 0.753379 Ge\n0.749530 0.328523 0.253379 Ge\n0.393047 0.726685 0.742882 O\n0.088909 0.163669 0.470618 O\n0.832651 0.651438 0.263380 O\n0.670749 0.176544 0.037030 O\n0.393047 0.273315 0.242882 O\n0.088909 0.836331 0.970618 O\n0.832651 0.348562 0.763380 O\n0.670749 0.823455 0.537030 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
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"Co",
"Ge",
"O"
],
"chemical_system": "Co-Ge-Li-O",
"density": 3.73162563958752,
"density_atomic": 0.0776777590218433,
"volume": 180.23177002394138,
"volume_molar": 7.752722060772312,
"formula_full": "Li2 Co2 Ge2 O8",
"formula_reduced": "LiCoGeO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.1333844071428567,
"spacegroup": 7
},
{
"id": "jvasp-10794",
"created_at": "2022-09-04T14:38:06.345668Z",
"updated_at": "2022-09-04T14:38:06.345689Z",
"structure_string": "K2 Sm2 Ge2 Se8\n1.0\n0.000000 6.837302 -0.002813\n7.038197 0.000000 0.000000\n0.000000 -2.751662 -8.439439\nK Sm Ge Se\n2 2 2 8\ndirect\n0.750553 0.707235 0.060823 K\n0.249447 0.207235 0.939177 K\n0.269192 0.204455 0.446576 Sm\n0.730808 0.704455 0.553424 Sm\n0.718987 0.237092 0.319629 Ge\n0.281013 0.737092 0.680371 Ge\n0.538307 0.980164 0.730009 Se\n0.461693 0.480164 0.269991 Se\n0.492365 0.460346 0.714887 Se\n0.921323 0.242691 0.148483 Se\n0.078677 0.742691 0.851516 Se\n0.066903 0.803908 0.417624 Se\n0.933097 0.303908 0.582376 Se\n0.507635 0.960346 0.285113 Se\n",
"nsites": 14,
"nelements": 4,
"elements": [
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"Sm",
"Ge",
"Se"
],
"chemical_system": "Ge-K-Se-Sm",
"density": 4.7254432930208266,
"density_atomic": 0.03446751888854312,
"volume": 406.17951194199685,
"volume_molar": 17.471929962448616,
"formula_full": "K2 Sm2 Ge2 Se8",
"formula_reduced": "KSmGeSe4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 0.9681794702380954,
"spacegroup": 4
},
{
"id": "jvasp-100631",
"created_at": "2022-09-04T14:36:39.051869Z",
"updated_at": "2022-09-04T14:36:39.051881Z",
"structure_string": "Zn1 In1 Ga1 O4\n1.0\n3.290529 0.003233 8.283759\n1.587662 2.882173 8.283759\n0.005466 0.003233 8.913373\nZn In Ga O\n1 1 1 4\ndirect\n0.219054 0.219053 0.219054 Zn\n0.003131 0.003131 0.003131 In\n0.787006 0.787001 0.787004 Ga\n0.295275 0.295273 0.295274 O\n0.711239 0.711235 0.711238 O\n0.120831 0.120830 0.120831 O\n0.863473 0.863468 0.863471 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Zn",
"In",
"Ga",
"O"
],
"chemical_system": "Ga-In-O-Zn",
"density": 6.18328082640887,
"density_atomic": 0.08302535600105897,
"volume": 84.31159271284204,
"volume_molar": 7.253375414521786,
"formula_full": "Zn1 In1 Ga1 O4",
"formula_reduced": "ZnInGaO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 0.9064052421428574,
"spacegroup": 160
},
{
"id": "jvasp-52783",
"created_at": "2022-09-04T14:35:44.945631Z",
"updated_at": "2022-09-04T14:35:44.945653Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n0.000000 7.841846 0.118089\n4.942641 0.000000 0.000000\n0.000000 -1.480853 -8.247660\nLi Mn P O\n4 4 4 16\ndirect\n0.135280 -0.035796 0.541284 Li\n0.648005 0.037027 0.954710 Li\n0.351996 0.537027 0.045290 Li\n0.864721 0.464204 0.458716 Li\n0.486410 0.593731 0.727019 Mn\n0.025392 0.014954 0.178244 Mn\n0.974609 0.514954 0.821756 Mn\n0.513591 0.093731 0.272981 Mn\n0.742249 0.509033 0.099233 P\n0.257752 0.009033 0.900766 P\n0.768752 0.958416 0.620719 P\n0.231249 0.458416 0.379281 P\n0.422946 0.954810 0.034433 O\n0.068365 0.286378 0.395379 O\n0.894386 0.360238 0.038938 O\n0.293355 0.879881 0.742639 O\n0.706645 0.379881 0.257361 O\n0.783813 0.812795 0.126377 O\n0.374905 0.406950 0.528422 O\n0.625096 0.906950 0.471578 O\n0.817487 0.260642 0.645683 O\n0.577055 0.454810 0.965567 O\n0.216188 0.312795 0.873623 O\n0.931635 0.786378 0.604621 O\n0.297251 0.348555 0.226781 O\n0.105615 0.860238 0.961061 O\n0.702750 0.848555 0.773218 O\n0.182514 0.760642 0.354316 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 3.2678524753901046,
"density_atomic": 0.08782653217826916,
"volume": 318.81026502521996,
"volume_molar": 6.85685818469564,
"formula_full": "Li4 Mn4 P4 O16",
"formula_reduced": "LiMnPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.547535248768473,
"spacegroup": 4
},
{
"id": "jvasp-51974",
"created_at": "2022-09-04T14:37:37.024337Z",
"updated_at": "2022-09-04T14:37:37.024363Z",
"structure_string": "Ca4 Mg4 Si4 O16\n1.0\n5.203492 0.000000 0.000000\n0.000000 6.798789 0.000000\n0.000000 0.000000 9.124987\nCa Mg Si O\n4 4 4 16\ndirect\n0.023107 0.750000 0.355001 Ca\n0.976893 0.250000 0.644999 Ca\n0.523106 0.250000 0.144999 Ca\n0.476893 0.750000 0.855001 Ca\n0.500000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.968841 0.750000 0.680708 Si\n0.531159 0.750000 0.180708 Si\n0.468841 0.250000 0.819292 Si\n0.031159 0.250000 0.319292 Si\n0.313996 0.441842 0.881821 O\n0.441883 0.250000 0.638096 O\n0.058117 0.250000 0.138096 O\n0.313996 0.058158 0.881821 O\n0.813996 0.941842 0.618180 O\n0.941882 0.750000 0.861904 O\n0.269206 0.750000 0.620405 O\n0.186004 0.441842 0.381821 O\n0.769206 0.250000 0.879596 O\n0.686003 0.558158 0.118179 O\n0.186004 0.058158 0.381821 O\n0.230794 0.750000 0.120404 O\n0.686003 0.941842 0.118179 O\n0.730794 0.250000 0.379596 O\n0.813996 0.558158 0.618180 O\n0.558117 0.750000 0.361904 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Ca",
"Mg",
"Si",
"O"
],
"chemical_system": "Ca-Mg-O-Si",
"density": 3.21936811016686,
"density_atomic": 0.08673598656236682,
"volume": 322.81871815531633,
"volume_molar": 6.943070573907437,
"formula_full": "Ca4 Mg4 Si4 O16",
"formula_reduced": "CaMgSiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.4227174385714283,
"spacegroup": 62
}
]
}